NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
451583 |
2roz   |
10236 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2roz
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 2441
_Distance_constraint_stats_list.Viol_count 2829
_Distance_constraint_stats_list.Viol_total 4684.213
_Distance_constraint_stats_list.Viol_max 0.987
_Distance_constraint_stats_list.Viol_rms 0.0413
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0048
_Distance_constraint_stats_list.Viol_average_violations_only 0.0828
_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 1 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 2 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 3 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 4 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 5 THR 0.127 0.032 10 0 "[ . 1 . 2]"
1 6 PRO 2.244 0.705 2 2 "[ + . 1- . 2]"
1 7 GLU 2.002 0.559 17 1 "[ . 1 . + 2]"
1 8 GLU 0.021 0.008 18 0 "[ . 1 . 2]"
1 9 ARG 1.257 0.705 2 2 "[ + . 1- . 2]"
1 10 HIS 0.049 0.022 17 0 "[ . 1 . 2]"
1 11 LEU 2.857 0.649 17 1 "[ . 1 . + 2]"
1 12 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 13 LYS 0.507 0.507 19 1 "[ . 1 . +2]"
1 14 MET 2.942 0.771 8 1 "[ . + 1 . 2]"
1 15 GLN 1.189 0.208 5 0 "[ . 1 . 2]"
1 16 GLN 0.667 0.183 9 0 "[ . 1 . 2]"
1 17 ASN 0.643 0.488 2 0 "[ . 1 . 2]"
1 18 GLY 4.199 0.615 17 1 "[ . 1 . + 2]"
1 19 TYR 0.167 0.167 14 0 "[ . 1 . 2]"
1 20 GLU 0.018 0.010 19 0 "[ . 1 . 2]"
1 21 ASN 2.352 0.903 19 2 "[ . 1 - . +2]"
1 22 PRO 0.078 0.024 19 0 "[ . 1 . 2]"
1 23 THR 0.142 0.051 17 0 "[ . 1 . 2]"
1 24 TYR 2.073 0.404 1 0 "[ . 1 . 2]"
1 25 LYS 3.076 0.643 19 1 "[ . 1 . +2]"
1 26 PHE 4.792 0.454 10 0 "[ . 1 . 2]"
1 27 PHE 0.357 0.098 10 0 "[ . 1 . 2]"
1 28 GLU 1.174 0.397 4 0 "[ . 1 . 2]"
1 30 MET 0.505 0.328 2 0 "[ . 1 . 2]"
1 31 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
2 9 THR 3.367 0.596 16 3 "[ - . 1* .+ 2]"
2 10 PRO 3.367 0.596 16 3 "[ - . 1* .+ 2]"
2 11 LYS 2.612 0.583 2 1 "[ + . 1 . 2]"
2 12 THR 0.067 0.031 9 0 "[ . 1 . 2]"
2 13 GLU 3.913 0.672 18 2 "[ . - 1 . + 2]"
2 14 LEU 2.587 0.566 14 1 "[ . 1 +. 2]"
2 15 VAL 1.418 0.500 14 0 "[ . 1 . 2]"
2 16 GLN 1.498 0.339 9 0 "[ . 1 . 2]"
2 17 LYS 18.443 0.885 5 7 "[ * +* * 1 * - *2]"
2 18 PHE 1.835 0.080 16 0 "[ . 1 . 2]"
2 19 ARG 11.856 0.820 14 8 "[* * * *+** *]"
2 20 VAL 6.422 0.766 10 8 "[* * + *-** *]"
2 21 GLN 5.206 0.688 7 3 "[ . + * - . 2]"
2 22 TYR 3.519 0.308 4 0 "[ . 1 . 2]"
2 23 LEU 1.183 0.105 7 0 "[ . 1 . 2]"
2 24 GLY 0.040 0.023 13 0 "[ . 1 . 2]"
2 25 MET 5.702 0.317 8 0 "[ . 1 . 2]"
2 26 LEU 2.914 0.107 20 0 "[ . 1 . 2]"
2 27 PRO 2.562 0.107 20 0 "[ . 1 . 2]"
2 28 VAL 0.220 0.033 2 0 "[ . 1 . 2]"
2 29 ASP 0.013 0.013 12 0 "[ . 1 . 2]"
2 30 ARG 3.051 0.251 13 0 "[ . 1 . 2]"
2 31 PRO 1.964 0.240 2 0 "[ . 1 . 2]"
2 32 VAL 5.047 0.596 8 1 "[ . + 1 . 2]"
2 33 GLY 5.014 0.596 8 1 "[ . + 1 . 2]"
2 34 MET 1.312 0.468 17 0 "[ . 1 . 2]"
2 35 ASP 0.001 0.001 19 0 "[ . 1 . 2]"
2 36 THR 2.346 0.458 15 0 "[ . 1 . 2]"
2 37 LEU 2.656 0.458 15 0 "[ . 1 . 2]"
2 38 ASN 0.135 0.025 18 0 "[ . 1 . 2]"
2 39 SER 0.019 0.014 1 0 "[ . 1 . 2]"
2 40 ALA 0.240 0.035 2 0 "[ . 1 . 2]"
2 41 ILE 0.485 0.037 11 0 "[ . 1 . 2]"
2 42 GLU 4.895 0.299 2 0 "[ . 1 . 2]"
2 43 ASN 4.389 0.299 2 0 "[ . 1 . 2]"
2 44 LEU 0.509 0.047 7 0 "[ . 1 . 2]"
2 45 MET 1.487 0.069 5 0 "[ . 1 . 2]"
2 46 THR 2.379 0.066 10 0 "[ . 1 . 2]"
2 47 SER 0.000 0.000 . 0 "[ . 1 . 2]"
2 48 SER 1.718 0.393 2 0 "[ . 1 . 2]"
2 49 SER 2.372 0.241 2 0 "[ . 1 . 2]"
2 50 LYS 8.006 0.944 7 6 "[ *. + 1* -* * 2]"
2 51 GLU 1.601 0.616 15 1 "[ . 1 + 2]"
2 52 ASP 0.615 0.393 2 0 "[ . 1 . 2]"
2 53 TRP 8.085 0.944 7 6 "[ *. + 1* -* * 2]"
2 54 PRO 3.555 0.155 3 0 "[ . 1 . 2]"
2 55 SER 7.244 0.745 13 3 "[ . * * + . 2]"
2 56 VAL 3.019 0.745 13 3 "[ . - * + . 2]"
2 57 ASN 0.869 0.065 6 0 "[ . 1 . 2]"
2 58 MET 3.400 0.249 10 0 "[ . 1 . 2]"
2 59 ASN 0.715 0.060 6 0 "[ . 1 . 2]"
2 60 VAL 0.735 0.047 13 0 "[ . 1 . 2]"
2 61 ALA 2.816 0.350 9 0 "[ . 1 . 2]"
2 62 ASP 1.306 0.350 9 0 "[ . 1 . 2]"
2 63 ALA 0.047 0.030 20 0 "[ . 1 . 2]"
2 64 THR 1.236 0.319 20 0 "[ . 1 . 2]"
2 65 VAL 3.641 0.524 8 1 "[ . + 1 . 2]"
2 66 THR 0.273 0.041 13 0 "[ . 1 . 2]"
2 67 VAL 0.943 0.353 14 0 "[ . 1 . 2]"
2 68 ILE 7.360 0.681 17 4 "[* . 1 *. + -2]"
2 69 SER 0.607 0.099 16 0 "[ . 1 . 2]"
2 70 GLU 3.450 0.730 10 3 "[ . * + - . 2]"
2 71 LYS 5.069 0.508 4 2 "[ +. 1 . -]"
2 72 ASN 1.596 0.368 3 0 "[ . 1 . 2]"
2 73 GLU 10.154 0.681 17 4 "[* . 1 *. + *2]"
2 74 GLU 5.164 0.630 19 4 "[ * . - 1 * . +2]"
2 75 GLU 0.875 0.250 15 0 "[ . 1 . 2]"
2 76 VAL 0.465 0.097 20 0 "[ . 1 . 2]"
2 77 LEU 2.497 0.353 14 0 "[ . 1 . 2]"
2 78 VAL 1.428 0.064 7 0 "[ . 1 . 2]"
2 79 GLU 0.073 0.021 13 0 "[ . 1 . 2]"
2 80 CYS 1.644 0.099 2 0 "[ . 1 . 2]"
2 81 ARG 0.336 0.095 1 0 "[ . 1 . 2]"
2 82 VAL 12.214 0.957 9 4 "[ . -+1 ** . 2]"
2 83 ARG 5.461 0.416 2 0 "[ . 1 . 2]"
2 84 PHE 2.058 0.222 7 0 "[ . 1 . 2]"
2 85 LEU 5.203 0.957 9 5 "[ . *+1 -* . *2]"
2 86 SER 0.633 0.238 10 0 "[ . 1 . 2]"
2 87 PHE 4.510 0.505 10 1 "[ . + . 2]"
2 88 MET 2.338 0.615 17 1 "[ . 1 . + 2]"
2 89 GLY 0.118 0.042 17 0 "[ . 1 . 2]"
2 90 VAL 2.453 0.514 17 1 "[ . 1 . + 2]"
2 91 GLY 1.302 0.322 18 0 "[ . 1 . 2]"
2 92 LYS 8.568 0.895 15 5 "[ *. -* 1 + *2]"
2 93 ASP 6.182 0.895 15 5 "[ *. -* 1 + *2]"
2 94 VAL 0.817 0.104 5 0 "[ . 1 . 2]"
2 95 HIS 1.809 0.118 15 0 "[ . 1 . 2]"
2 96 THR 0.402 0.051 7 0 "[ . 1 . 2]"
2 97 PHE 1.709 0.118 17 0 "[ . 1 . 2]"
2 98 ALA 1.247 0.126 13 0 "[ . 1 . 2]"
2 99 PHE 2.093 0.077 18 0 "[ . 1 . 2]"
2 100 ILE 1.476 0.505 10 1 "[ . + . 2]"
2 101 MET 3.013 0.439 2 0 "[ . 1 . 2]"
2 102 ASP 0.223 0.030 17 0 "[ . 1 . 2]"
2 103 THR 1.069 0.168 12 0 "[ . 1 . 2]"
2 104 GLY 0.008 0.006 16 0 "[ . 1 . 2]"
2 105 ASN 2.159 0.793 3 1 "[ + . 1 . 2]"
2 106 GLN 1.650 0.793 3 1 "[ + . 1 . 2]"
2 107 ARG 6.891 0.909 19 2 "[ . 1 - . +2]"
2 108 PHE 3.925 0.909 19 2 "[ . 1 - . +2]"
2 109 GLU 4.486 0.653 7 1 "[ . + 1 . 2]"
2 110 CYS 1.195 0.653 7 1 "[ . + 1 . 2]"
2 111 HIS 2.115 0.470 15 0 "[ . 1 . 2]"
2 112 VAL 1.892 0.126 13 0 "[ . 1 . 2]"
2 113 PHE 1.687 0.070 11 0 "[ . 1 . 2]"
2 114 TRP 3.461 0.579 11 2 "[ . -1+ . 2]"
2 115 CYS 1.105 0.066 11 0 "[ . 1 . 2]"
2 116 GLU 2.907 0.579 11 2 "[ . -1+ . 2]"
2 117 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
2 118 ASN 1.615 0.376 8 0 "[ . 1 . 2]"
2 119 ALA 6.373 0.987 8 6 "[* . *+ 1 -*. * 2]"
2 120 ALA 0.050 0.022 17 0 "[ . 1 . 2]"
2 121 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
2 122 VAL 0.387 0.205 11 0 "[ . 1 . 2]"
2 123 SER 6.441 0.987 8 5 "[* . *+ 1 -*. 2]"
2 124 GLU 6.892 0.385 9 0 "[ . 1 . 2]"
2 125 ALA 1.893 0.107 7 0 "[ . 1 . 2]"
2 126 VAL 1.667 0.107 7 0 "[ . 1 . 2]"
2 127 GLN 0.481 0.280 15 0 "[ . 1 . 2]"
2 128 ALA 0.044 0.012 17 0 "[ . 1 . 2]"
2 129 ALA 0.349 0.063 4 0 "[ . 1 . 2]"
2 130 CYS 3.995 0.778 13 3 "[ . -1 *+ . 2]"
2 131 SER 3.012 0.832 4 1 "[ +. 1 . 2]"
2 132 GLY 3.495 0.711 4 1 "[ +. 1 . 2]"
2 133 PRO 2.299 0.155 12 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 1 ASP HB2 1 2 ALA H . . 5.150 3.954 2.177 4.717 . 0 0 "[ . 1 . 2]" 1
2 1 1 ASP HB3 1 2 ALA H . . 5.470 3.883 2.736 4.563 . 0 0 "[ . 1 . 2]" 1
3 1 3 ALA HA 1 4 VAL H . . 3.260 2.337 2.187 2.561 . 0 0 "[ . 1 . 2]" 1
4 1 3 ALA MB 1 4 VAL H . . 4.160 3.532 2.540 3.789 . 0 0 "[ . 1 . 2]" 1
5 1 4 VAL H 1 4 VAL HB . . 3.570 2.708 2.137 3.567 . 0 0 "[ . 1 . 2]" 1
6 1 4 VAL H 1 4 VAL QG . . 3.650 2.230 1.775 2.741 . 0 0 "[ . 1 . 2]" 1
7 1 4 VAL HA 1 5 THR H . . 3.610 2.574 2.187 3.112 . 0 0 "[ . 1 . 2]" 1
8 1 4 VAL HB 1 5 THR H . . 4.500 3.420 1.966 4.380 . 0 0 "[ . 1 . 2]" 1
9 1 4 VAL QG 1 5 THR H . . 3.900 2.207 1.765 3.048 . 0 0 "[ . 1 . 2]" 1
10 1 4 VAL QG 1 5 THR HA . . 5.030 3.776 3.269 4.268 . 0 0 "[ . 1 . 2]" 1
11 1 4 VAL QG 1 8 GLU QB . . 3.850 2.939 1.900 3.423 . 0 0 "[ . 1 . 2]" 1
12 1 4 VAL QG 1 9 ARG H . . 4.800 3.429 2.477 3.804 . 0 0 "[ . 1 . 2]" 1
13 1 4 VAL QG 1 9 ARG HA . . 4.600 3.808 2.903 4.260 . 0 0 "[ . 1 . 2]" 1
14 1 4 VAL QG 1 9 ARG HB2 . . 4.010 3.633 3.325 3.973 . 0 0 "[ . 1 . 2]" 1
15 1 4 VAL QG 1 9 ARG HD2 . . 5.220 3.727 2.048 5.035 . 0 0 "[ . 1 . 2]" 1
16 1 4 VAL QG 1 9 ARG HD3 . . 5.160 4.096 3.262 5.065 . 0 0 "[ . 1 . 2]" 1
17 1 4 VAL QG 1 9 ARG QG . . 3.970 2.378 1.910 3.287 . 0 0 "[ . 1 . 2]" 1
18 1 5 THR H 1 5 THR MG . . 3.730 3.076 1.901 3.737 0.007 19 0 "[ . 1 . 2]" 1
19 1 5 THR H 1 6 PRO HD3 . . 5.080 4.691 4.549 4.797 . 0 0 "[ . 1 . 2]" 1
20 1 5 THR H 1 8 GLU H . . 5.260 4.668 4.107 5.247 . 0 0 "[ . 1 . 2]" 1
21 1 5 THR H 1 8 GLU QB . . 4.300 3.392 3.013 3.638 . 0 0 "[ . 1 . 2]" 1
22 1 5 THR H 1 8 GLU QG . . 5.100 4.754 4.390 4.898 . 0 0 "[ . 1 . 2]" 1
23 1 5 THR HA 1 5 THR MG . . 3.200 2.544 2.121 3.232 0.032 10 0 "[ . 1 . 2]" 1
24 1 5 THR HA 1 6 PRO HD3 . . 3.940 1.930 1.888 2.022 . 0 0 "[ . 1 . 2]" 1
25 1 5 THR HA 1 6 PRO HG2 . . 4.860 4.532 4.393 4.682 . 0 0 "[ . 1 . 2]" 1
26 1 5 THR HA 1 7 GLU H . . 4.410 4.189 3.561 4.421 0.011 16 0 "[ . 1 . 2]" 1
27 1 5 THR MG 1 6 PRO HD2 . . 3.880 2.575 1.779 3.872 . 0 0 "[ . 1 . 2]" 1
28 1 5 THR MG 1 7 GLU H . . 5.460 2.809 2.021 4.711 . 0 0 "[ . 1 . 2]" 1
29 1 5 THR MG 1 8 GLU H . . 5.410 2.689 1.797 4.165 . 0 0 "[ . 1 . 2]" 1
30 1 5 THR MG 1 8 GLU QB . . 4.290 2.736 1.886 3.572 . 0 0 "[ . 1 . 2]" 1
31 1 6 PRO HA 1 9 ARG H . . 4.310 3.699 2.945 4.311 0.001 5 0 "[ . 1 . 2]" 1
32 1 6 PRO HA 1 9 ARG HB2 . . 4.130 3.090 2.241 4.835 0.705 2 2 "[ + . 1- . 2]" 1
33 1 6 PRO HA 1 9 ARG QG . . 5.410 3.992 1.910 4.963 . 0 0 "[ . 1 . 2]" 1
34 1 6 PRO HB3 1 7 GLU H . . 4.450 4.286 3.998 4.712 0.262 10 0 "[ . 1 . 2]" 1
35 1 6 PRO HD2 1 7 GLU H . . 4.730 2.633 2.255 4.261 . 0 0 "[ . 1 . 2]" 1
36 1 6 PRO HG2 1 7 GLU H . . 5.430 3.207 2.466 5.129 . 0 0 "[ . 1 . 2]" 1
37 1 7 GLU H 1 7 GLU HB2 . . 4.060 2.557 2.120 3.449 . 0 0 "[ . 1 . 2]" 1
38 1 7 GLU H 1 8 GLU H . . 4.720 2.571 2.081 2.918 . 0 0 "[ . 1 . 2]" 1
39 1 7 GLU H 1 8 GLU QB . . 5.020 4.203 3.601 4.506 . 0 0 "[ . 1 . 2]" 1
40 1 7 GLU HA 1 10 HIS H . . 3.960 3.495 3.241 3.808 . 0 0 "[ . 1 . 2]" 1
41 1 7 GLU HA 1 10 HIS HB3 . . 4.710 2.855 2.684 3.073 . 0 0 "[ . 1 . 2]" 1
42 1 7 GLU HA 2 120 ALA MB . . 5.010 3.955 3.426 4.283 . 0 0 "[ . 1 . 2]" 1
43 1 7 GLU HB2 1 8 GLU H . . 4.650 3.781 3.413 4.094 . 0 0 "[ . 1 . 2]" 1
44 1 7 GLU HB2 2 118 ASN HD22 . . 5.500 5.036 4.515 5.876 0.376 8 0 "[ . 1 . 2]" 1
45 1 7 GLU HB3 1 8 GLU H . . 4.750 2.566 2.132 3.166 . 0 0 "[ . 1 . 2]" 1
46 1 7 GLU HG2 1 11 LEU MD1 . . 4.060 3.643 2.548 4.619 0.559 17 1 "[ . 1 . + 2]" 1
47 1 7 GLU HG2 2 118 ASN HD22 . . 4.920 2.711 2.150 3.894 . 0 0 "[ . 1 . 2]" 1
48 1 7 GLU HG3 1 10 HIS HB3 . . 5.160 3.943 3.117 4.947 . 0 0 "[ . 1 . 2]" 1
49 1 7 GLU HG3 1 10 HIS HD2 . . 5.420 3.783 3.009 4.656 . 0 0 "[ . 1 . 2]" 1
50 1 7 GLU HG3 1 11 LEU MD2 . . 4.660 4.493 3.952 4.704 0.044 6 0 "[ . 1 . 2]" 1
51 1 7 GLU HG3 2 120 ALA MB . . 3.150 1.989 1.824 2.177 . 0 0 "[ . 1 . 2]" 1
52 1 8 GLU H 1 8 GLU QG . . 4.410 3.879 3.484 4.036 . 0 0 "[ . 1 . 2]" 1
53 1 8 GLU H 1 9 ARG H . . 4.490 2.792 2.304 3.010 . 0 0 "[ . 1 . 2]" 1
54 1 8 GLU HA 1 11 LEU H . . 5.030 3.347 3.083 3.607 . 0 0 "[ . 1 . 2]" 1
55 1 8 GLU HA 1 11 LEU HB2 . . 4.450 2.790 2.461 3.196 . 0 0 "[ . 1 . 2]" 1
56 1 8 GLU HA 1 11 LEU MD1 . . 4.250 2.795 2.093 3.173 . 0 0 "[ . 1 . 2]" 1
57 1 8 GLU HA 1 11 LEU MD2 . . 4.970 4.909 4.274 4.978 0.008 18 0 "[ . 1 . 2]" 1
58 1 8 GLU QB 1 9 ARG H . . 4.540 2.596 2.273 3.032 . 0 0 "[ . 1 . 2]" 1
59 1 8 GLU QB 1 9 ARG QG . . 4.790 4.089 3.832 4.372 . 0 0 "[ . 1 . 2]" 1
60 1 9 ARG H 1 9 ARG HB2 . . 3.810 2.229 2.036 3.562 . 0 0 "[ . 1 . 2]" 1
61 1 9 ARG H 1 9 ARG QG . . 4.580 2.987 2.181 3.385 . 0 0 "[ . 1 . 2]" 1
62 1 9 ARG HA 1 9 ARG HD2 . . 5.420 4.164 2.589 4.664 . 0 0 "[ . 1 . 2]" 1
63 1 9 ARG HB2 1 10 HIS H . . 4.060 3.026 2.610 3.945 . 0 0 "[ . 1 . 2]" 1
64 1 9 ARG QG 1 10 HIS H . . 5.040 4.162 1.928 4.572 . 0 0 "[ . 1 . 2]" 1
65 1 10 HIS H 1 10 HIS HB3 . . 3.860 2.156 2.049 2.251 . 0 0 "[ . 1 . 2]" 1
66 1 10 HIS H 1 10 HIS HD2 . . 5.480 4.560 4.089 4.757 . 0 0 "[ . 1 . 2]" 1
67 1 10 HIS HA 1 10 HIS HD2 . . 5.190 4.624 4.436 4.848 . 0 0 "[ . 1 . 2]" 1
68 1 10 HIS HA 1 11 LEU HA . . 4.920 4.683 4.560 4.760 . 0 0 "[ . 1 . 2]" 1
69 1 10 HIS HB3 1 11 LEU H . . 4.440 3.047 2.818 3.733 . 0 0 "[ . 1 . 2]" 1
70 1 10 HIS HB3 2 120 ALA MB . . 4.330 4.237 3.929 4.352 0.022 17 0 "[ . 1 . 2]" 1
71 1 10 HIS HD2 1 11 LEU H . . 5.010 3.493 2.932 4.023 . 0 0 "[ . 1 . 2]" 1
72 1 10 HIS HD2 1 11 LEU HA . . 5.210 3.639 3.273 4.388 . 0 0 "[ . 1 . 2]" 1
73 1 10 HIS HD2 1 11 LEU HB2 . . 4.730 4.539 4.232 4.731 0.001 14 0 "[ . 1 . 2]" 1
74 1 10 HIS HD2 1 11 LEU MD1 . . 5.090 3.654 3.231 4.116 . 0 0 "[ . 1 . 2]" 1
75 1 10 HIS HD2 1 11 LEU MD2 . . 4.270 2.423 1.805 2.901 . 0 0 "[ . 1 . 2]" 1
76 1 10 HIS HD2 1 11 LEU HG . . 4.450 2.245 2.017 2.725 . 0 0 "[ . 1 . 2]" 1
77 1 10 HIS HD2 2 120 ALA HA . . 3.700 2.607 2.380 2.943 . 0 0 "[ . 1 . 2]" 1
78 1 10 HIS HD2 2 120 ALA MB . . 3.510 2.857 2.190 3.472 . 0 0 "[ . 1 . 2]" 1
79 1 10 HIS HD2 2 124 GLU H . . 5.500 4.898 4.221 5.311 . 0 0 "[ . 1 . 2]" 1
80 1 10 HIS HD2 2 124 GLU HB2 . . 5.200 4.205 3.455 4.736 . 0 0 "[ . 1 . 2]" 1
81 1 10 HIS HE1 2 124 GLU H . . 5.110 4.403 3.342 5.099 . 0 0 "[ . 1 . 2]" 1
82 1 10 HIS HE1 2 124 GLU HA . . 3.660 2.756 2.012 3.486 . 0 0 "[ . 1 . 2]" 1
83 1 10 HIS HE1 2 124 GLU HB2 . . 4.720 3.638 2.343 4.318 . 0 0 "[ . 1 . 2]" 1
84 1 10 HIS HE1 2 127 GLN H . . 5.360 4.531 3.568 5.353 . 0 0 "[ . 1 . 2]" 1
85 1 10 HIS HE1 2 127 GLN HB2 . . 4.530 2.882 2.079 3.504 . 0 0 "[ . 1 . 2]" 1
86 1 11 LEU H 1 11 LEU MD1 . . 4.500 3.576 3.237 4.157 . 0 0 "[ . 1 . 2]" 1
87 1 11 LEU H 1 11 LEU MD2 . . 4.640 3.693 3.199 3.927 . 0 0 "[ . 1 . 2]" 1
88 1 11 LEU H 1 11 LEU HG . . 4.410 2.568 2.177 2.891 . 0 0 "[ . 1 . 2]" 1
89 1 11 LEU H 1 12 SER H . . 4.380 2.544 2.078 2.837 . 0 0 "[ . 1 . 2]" 1
90 1 11 LEU H 2 120 ALA MB . . 5.500 4.582 4.192 5.232 . 0 0 "[ . 1 . 2]" 1
91 1 11 LEU HA 1 11 LEU MD2 . . 3.830 2.220 1.914 2.401 . 0 0 "[ . 1 . 2]" 1
92 1 11 LEU HA 1 14 MET H . . 5.100 3.213 2.786 3.593 . 0 0 "[ . 1 . 2]" 1
93 1 11 LEU HA 1 14 MET HB2 . . 4.790 2.692 2.106 3.079 . 0 0 "[ . 1 . 2]" 1
94 1 11 LEU HA 1 14 MET HB3 . . 4.550 4.360 3.737 4.805 0.255 2 0 "[ . 1 . 2]" 1
95 1 11 LEU HA 2 90 VAL MG1 . . 3.850 3.545 3.194 3.847 . 0 0 "[ . 1 . 2]" 1
96 1 11 LEU HA 2 90 VAL MG2 . . 5.500 5.059 4.590 5.492 . 0 0 "[ . 1 . 2]" 1
97 1 11 LEU HA 2 94 VAL HB . . 5.280 4.714 4.130 5.063 . 0 0 "[ . 1 . 2]" 1
98 1 11 LEU HA 2 120 ALA MB . . 5.500 5.119 4.879 5.502 0.002 17 0 "[ . 1 . 2]" 1
99 1 11 LEU HB2 1 12 SER H . . 4.140 2.490 2.232 2.749 . 0 0 "[ . 1 . 2]" 1
100 1 11 LEU HB2 2 94 VAL MG1 . . 5.500 2.894 2.377 3.349 . 0 0 "[ . 1 . 2]" 1
101 1 11 LEU HB3 1 11 LEU MD1 . . 3.600 2.449 2.294 2.634 . 0 0 "[ . 1 . 2]" 1
102 1 11 LEU HB3 1 11 LEU MD2 . . 3.400 2.264 2.140 2.630 . 0 0 "[ . 1 . 2]" 1
103 1 11 LEU HB3 1 12 SER H . . 4.320 3.424 3.071 3.773 . 0 0 "[ . 1 . 2]" 1
104 1 11 LEU HB3 2 94 VAL MG1 . . 4.190 2.237 1.855 2.681 . 0 0 "[ . 1 . 2]" 1
105 1 11 LEU MD1 1 12 SER H . . 5.020 4.331 4.070 4.822 . 0 0 "[ . 1 . 2]" 1
106 1 11 LEU MD1 2 94 VAL HA . . 4.950 4.255 3.563 4.638 . 0 0 "[ . 1 . 2]" 1
107 1 11 LEU MD1 2 94 VAL HB . . 4.010 2.238 1.784 2.662 . 0 0 "[ . 1 . 2]" 1
108 1 11 LEU MD1 2 94 VAL MG1 . . 4.020 2.666 2.083 3.116 . 0 0 "[ . 1 . 2]" 1
109 1 11 LEU MD1 2 118 ASN HB2 . . 5.350 1.949 1.798 2.214 . 0 0 "[ . 1 . 2]" 1
110 1 11 LEU MD1 2 118 ASN HB3 . . 5.400 3.067 2.809 3.382 . 0 0 "[ . 1 . 2]" 1
111 1 11 LEU MD1 2 118 ASN HD21 . . 4.890 2.115 1.816 2.492 . 0 0 "[ . 1 . 2]" 1
112 1 11 LEU MD1 2 118 ASN HD22 . . 4.550 2.929 2.546 3.321 . 0 0 "[ . 1 . 2]" 1
113 1 11 LEU MD1 2 119 ALA H . . 5.110 2.918 2.314 3.147 . 0 0 "[ . 1 . 2]" 1
114 1 11 LEU MD1 2 119 ALA MB . . 4.000 3.900 3.089 4.008 0.008 10 0 "[ . 1 . 2]" 1
115 1 11 LEU MD1 2 120 ALA H . . 5.000 2.907 2.335 3.916 . 0 0 "[ . 1 . 2]" 1
116 1 11 LEU MD1 2 120 ALA HA . . 4.180 2.939 2.576 3.602 . 0 0 "[ . 1 . 2]" 1
117 1 11 LEU MD1 2 120 ALA MB . . 2.980 2.062 1.742 2.820 . 0 0 "[ . 1 . 2]" 1
118 1 11 LEU MD2 1 12 SER H . . 5.120 4.705 4.469 4.844 . 0 0 "[ . 1 . 2]" 1
119 1 11 LEU MD2 2 90 VAL HB . . 4.720 4.511 4.114 5.234 0.514 17 1 "[ . 1 . + 2]" 1
120 1 11 LEU MD2 2 90 VAL MG1 . . 3.600 2.668 2.307 3.079 . 0 0 "[ . 1 . 2]" 1
121 1 11 LEU MD2 2 94 VAL HA . . 4.900 3.807 3.289 4.953 0.053 17 0 "[ . 1 . 2]" 1
122 1 11 LEU MD2 2 94 VAL HB . . 4.110 2.692 2.007 3.613 . 0 0 "[ . 1 . 2]" 1
123 1 11 LEU MD2 2 118 ASN HD21 . . 4.680 4.337 4.123 4.649 . 0 0 "[ . 1 . 2]" 1
124 1 11 LEU MD2 2 118 ASN HD22 . . 5.250 4.954 4.384 5.246 . 0 0 "[ . 1 . 2]" 1
125 1 11 LEU MD2 2 119 ALA H . . 5.020 2.957 2.400 4.119 . 0 0 "[ . 1 . 2]" 1
126 1 11 LEU MD2 2 119 ALA HA . . 4.740 4.116 3.794 5.187 0.447 17 0 "[ . 1 . 2]" 1
127 1 11 LEU MD2 2 119 ALA MB . . 3.150 2.862 2.575 3.799 0.649 17 1 "[ . 1 . + 2]" 1
128 1 11 LEU MD2 2 120 ALA H . . 4.430 3.131 2.752 3.910 . 0 0 "[ . 1 . 2]" 1
129 1 11 LEU MD2 2 120 ALA HA . . 3.530 1.968 1.840 2.208 . 0 0 "[ . 1 . 2]" 1
130 1 11 LEU MD2 2 120 ALA MB . . 3.740 2.864 2.657 3.030 . 0 0 "[ . 1 . 2]" 1
131 1 11 LEU HG 1 12 SER H . . 4.920 4.442 4.266 4.599 . 0 0 "[ . 1 . 2]" 1
132 1 11 LEU HG 2 120 ALA HA . . 4.630 2.924 2.452 3.784 . 0 0 "[ . 1 . 2]" 1
133 1 11 LEU HG 2 120 ALA MB . . 3.350 2.695 2.353 3.163 . 0 0 "[ . 1 . 2]" 1
134 1 12 SER H 1 12 SER HB2 . . 3.780 2.263 2.030 2.651 . 0 0 "[ . 1 . 2]" 1
135 1 12 SER H 1 13 LYS H . . 4.220 2.891 2.659 3.069 . 0 0 "[ . 1 . 2]" 1
136 1 12 SER HA 1 15 GLN HB2 . . 5.150 2.579 1.999 3.249 . 0 0 "[ . 1 . 2]" 1
137 1 12 SER HA 1 15 GLN HB3 . . 4.750 3.887 3.397 4.439 . 0 0 "[ . 1 . 2]" 1
138 1 12 SER HA 1 15 GLN HG2 . . 4.270 3.841 3.644 4.184 . 0 0 "[ . 1 . 2]" 1
139 1 12 SER HA 1 15 GLN HG3 . . 5.110 2.172 1.995 2.531 . 0 0 "[ . 1 . 2]" 1
140 1 12 SER HB3 1 13 LYS H . . 4.480 3.275 2.520 4.164 . 0 0 "[ . 1 . 2]" 1
141 1 12 SER HB3 1 13 LYS HA . . 4.710 4.160 3.758 4.698 . 0 0 "[ . 1 . 2]" 1
142 1 13 LYS H 1 13 LYS HB2 . . 3.900 2.714 2.231 3.586 . 0 0 "[ . 1 . 2]" 1
143 1 13 LYS H 1 13 LYS HD3 . . 5.320 4.610 3.924 5.827 0.507 19 1 "[ . 1 . +2]" 1
144 1 13 LYS H 1 13 LYS HG2 . . 5.260 4.079 2.030 4.499 . 0 0 "[ . 1 . 2]" 1
145 1 13 LYS H 1 13 LYS HG3 . . 4.830 4.209 2.054 4.584 . 0 0 "[ . 1 . 2]" 1
146 1 13 LYS H 1 14 MET H . . 4.250 2.705 2.234 2.979 . 0 0 "[ . 1 . 2]" 1
147 1 13 LYS HA 1 13 LYS HD3 . . 5.350 4.475 4.110 5.110 . 0 0 "[ . 1 . 2]" 1
148 1 13 LYS HB2 1 13 LYS QE . . 4.660 3.909 3.174 4.327 . 0 0 "[ . 1 . 2]" 1
149 1 13 LYS QE 1 14 MET ME . . 4.950 3.546 3.041 4.197 . 0 0 "[ . 1 . 2]" 1
150 1 13 LYS QE 1 19 TYR QB . . 4.560 3.625 2.796 4.192 . 0 0 "[ . 1 . 2]" 1
151 1 13 LYS HG2 1 14 MET H . . 5.400 3.519 2.166 4.470 . 0 0 "[ . 1 . 2]" 1
152 1 14 MET H 1 14 MET HG2 . . 4.090 3.212 2.249 3.686 . 0 0 "[ . 1 . 2]" 1
153 1 14 MET HA 2 90 VAL H . . 5.500 4.581 4.119 4.926 . 0 0 "[ . 1 . 2]" 1
154 1 14 MET HA 2 90 VAL MG1 . . 5.460 4.171 3.823 4.458 . 0 0 "[ . 1 . 2]" 1
155 1 14 MET HB2 2 90 VAL H . . 4.460 4.245 3.984 4.448 . 0 0 "[ . 1 . 2]" 1
156 1 14 MET HB2 2 90 VAL HB . . 5.500 5.467 5.211 5.546 0.046 7 0 "[ . 1 . 2]" 1
157 1 14 MET HB2 2 90 VAL MG1 . . 3.530 2.560 2.332 2.645 . 0 0 "[ . 1 . 2]" 1
158 1 14 MET HB3 2 34 MET ME . . 4.810 4.203 3.729 4.780 . 0 0 "[ . 1 . 2]" 1
159 1 14 MET HB3 2 90 VAL H . . 4.600 3.023 2.850 3.440 . 0 0 "[ . 1 . 2]" 1
160 1 14 MET HB3 2 90 VAL HB . . 5.350 5.132 4.613 5.520 0.170 2 0 "[ . 1 . 2]" 1
161 1 14 MET HB3 2 90 VAL MG1 . . 3.600 2.304 1.908 2.706 . 0 0 "[ . 1 . 2]" 1
162 1 14 MET ME 1 19 TYR H . . 4.730 3.989 3.548 4.608 . 0 0 "[ . 1 . 2]" 1
163 1 14 MET ME 1 19 TYR HA . . 4.950 4.158 3.886 4.528 . 0 0 "[ . 1 . 2]" 1
164 1 14 MET ME 1 19 TYR QB . . 3.800 1.869 1.681 2.127 . 0 0 "[ . 1 . 2]" 1
165 1 14 MET ME 1 19 TYR QD . . 4.060 2.932 2.582 3.327 . 0 0 "[ . 1 . 2]" 1
166 1 14 MET ME 1 19 TYR QE . . 5.150 4.181 3.868 4.613 . 0 0 "[ . 1 . 2]" 1
167 1 14 MET ME 2 88 MET H . . 5.500 4.597 4.184 4.841 . 0 0 "[ . 1 . 2]" 1
168 1 14 MET ME 2 88 MET HA . . 5.500 5.332 4.900 5.516 0.016 12 0 "[ . 1 . 2]" 1
169 1 14 MET ME 2 88 MET ME . . 4.680 3.157 2.548 3.923 . 0 0 "[ . 1 . 2]" 1
170 1 14 MET ME 2 88 MET HG2 . . 5.190 4.200 3.648 4.598 . 0 0 "[ . 1 . 2]" 1
171 1 14 MET ME 2 88 MET HG3 . . 5.460 3.057 2.482 3.639 . 0 0 "[ . 1 . 2]" 1
172 1 14 MET ME 2 89 GLY HA2 . . 3.950 3.445 2.808 3.919 . 0 0 "[ . 1 . 2]" 1
173 1 14 MET ME 2 89 GLY HA3 . . 4.970 4.532 3.946 4.961 . 0 0 "[ . 1 . 2]" 1
174 1 14 MET ME 2 123 SER HB2 . . 4.110 3.515 2.873 4.881 0.771 8 1 "[ . + 1 . 2]" 1
175 1 14 MET ME 2 123 SER HB3 . . 4.950 4.031 2.417 4.812 . 0 0 "[ . 1 . 2]" 1
176 1 14 MET ME 2 127 GLN HE21 . . 5.000 3.130 1.917 4.482 . 0 0 "[ . 1 . 2]" 1
177 1 14 MET ME 2 127 GLN HE22 . . 4.630 3.875 2.761 4.910 0.280 15 0 "[ . 1 . 2]" 1
178 1 14 MET HG2 1 19 TYR QB . . 4.970 2.835 2.134 3.808 . 0 0 "[ . 1 . 2]" 1
179 1 14 MET HG2 2 90 VAL MG1 . . 4.930 4.501 4.171 4.650 . 0 0 "[ . 1 . 2]" 1
180 1 14 MET HG3 1 19 TYR QB . . 4.830 4.131 3.457 4.579 . 0 0 "[ . 1 . 2]" 1
181 1 15 GLN H 1 15 GLN HG2 . . 4.420 2.928 2.386 3.280 . 0 0 "[ . 1 . 2]" 1
182 1 15 GLN H 1 15 GLN HG3 . . 4.150 2.596 2.083 3.105 . 0 0 "[ . 1 . 2]" 1
183 1 15 GLN H 1 16 GLN QE . . 5.240 3.964 3.252 4.712 . 0 0 "[ . 1 . 2]" 1
184 1 15 GLN H 2 34 MET ME . . 5.470 4.504 4.161 4.923 . 0 0 "[ . 1 . 2]" 1
185 1 15 GLN H 2 90 VAL H . . 4.880 4.655 4.319 4.872 . 0 0 "[ . 1 . 2]" 1
186 1 15 GLN H 2 90 VAL MG1 . . 4.460 3.342 2.845 3.717 . 0 0 "[ . 1 . 2]" 1
187 1 15 GLN H 2 90 VAL MG2 . . 4.430 3.957 3.582 4.312 . 0 0 "[ . 1 . 2]" 1
188 1 15 GLN HA 2 90 VAL MG2 . . 3.340 2.092 1.954 2.565 . 0 0 "[ . 1 . 2]" 1
189 1 15 GLN HB2 1 16 GLN H . . 5.250 2.850 2.210 3.453 . 0 0 "[ . 1 . 2]" 1
190 1 15 GLN HB2 1 16 GLN QE . . 3.560 3.020 2.061 3.566 0.006 15 0 "[ . 1 . 2]" 1
191 1 15 GLN HB2 2 34 MET ME . . 5.500 5.111 4.502 5.462 . 0 0 "[ . 1 . 2]" 1
192 1 15 GLN HB2 2 90 VAL MG2 . . 4.220 4.075 3.898 4.184 . 0 0 "[ . 1 . 2]" 1
193 1 15 GLN HB3 2 34 MET ME . . 5.000 4.673 3.959 4.972 . 0 0 "[ . 1 . 2]" 1
194 1 15 GLN HB3 2 90 VAL MG1 . . 4.560 4.588 4.554 4.632 0.072 17 0 "[ . 1 . 2]" 1
195 1 15 GLN HB3 2 90 VAL MG2 . . 4.200 3.321 2.985 3.684 . 0 0 "[ . 1 . 2]" 1
196 1 15 GLN HB3 2 92 LYS HA . . 5.500 4.784 4.293 5.347 . 0 0 "[ . 1 . 2]" 1
197 1 15 GLN HB3 2 94 VAL MG1 . . 5.500 4.436 4.158 4.805 . 0 0 "[ . 1 . 2]" 1
198 1 15 GLN HE21 2 90 VAL MG2 . . 4.300 1.879 1.809 2.069 . 0 0 "[ . 1 . 2]" 1
199 1 15 GLN HE21 2 92 LYS HA . . 3.830 3.619 3.229 3.762 . 0 0 "[ . 1 . 2]" 1
200 1 15 GLN HE21 2 94 VAL HA . . 4.570 3.804 3.311 4.092 . 0 0 "[ . 1 . 2]" 1
201 1 15 GLN HE21 2 94 VAL MG1 . . 3.450 3.053 2.507 3.385 . 0 0 "[ . 1 . 2]" 1
202 1 15 GLN HE21 2 94 VAL MG2 . . 5.500 5.376 5.025 5.604 0.104 5 0 "[ . 1 . 2]" 1
203 1 15 GLN HE22 2 90 VAL MG2 . . 4.000 3.017 2.754 3.479 . 0 0 "[ . 1 . 2]" 1
204 1 15 GLN HE22 2 92 LYS HA . . 3.570 3.480 3.146 3.778 0.208 5 0 "[ . 1 . 2]" 1
205 1 15 GLN HE22 2 94 VAL HA . . 4.670 4.272 3.932 4.671 0.001 19 0 "[ . 1 . 2]" 1
206 1 15 GLN HE22 2 94 VAL MG1 . . 3.690 2.755 2.365 3.230 . 0 0 "[ . 1 . 2]" 1
207 1 15 GLN HG2 2 90 VAL HB . . 4.290 4.200 4.094 4.317 0.027 19 0 "[ . 1 . 2]" 1
208 1 15 GLN HG2 2 90 VAL MG1 . . 4.760 2.564 2.322 2.771 . 0 0 "[ . 1 . 2]" 1
209 1 15 GLN HG2 2 90 VAL MG2 . . 3.370 1.857 1.767 1.911 . 0 0 "[ . 1 . 2]" 1
210 1 15 GLN HG3 2 90 VAL MG2 . . 3.300 3.249 3.119 3.318 0.018 20 0 "[ . 1 . 2]" 1
211 1 16 GLN H 1 16 GLN HB2 . . 4.020 3.088 2.356 3.734 . 0 0 "[ . 1 . 2]" 1
212 1 16 GLN H 1 16 GLN HB3 . . 4.040 3.595 3.147 3.847 . 0 0 "[ . 1 . 2]" 1
213 1 16 GLN H 1 16 GLN HG2 . . 4.360 3.621 1.925 4.543 0.183 9 0 "[ . 1 . 2]" 1
214 1 16 GLN H 2 34 MET QG . . 5.100 4.759 4.233 4.961 . 0 0 "[ . 1 . 2]" 1
215 1 16 GLN HB2 1 17 ASN H . . 4.110 2.487 1.905 3.473 . 0 0 "[ . 1 . 2]" 1
216 1 16 GLN HB3 1 17 ASN H . . 4.230 3.326 2.310 4.219 . 0 0 "[ . 1 . 2]" 1
217 1 16 GLN QE 1 17 ASN QD . . 3.460 2.953 1.882 3.338 . 0 0 "[ . 1 . 2]" 1
218 1 16 GLN HG2 1 17 ASN H . . 4.790 3.866 1.869 4.810 0.020 18 0 "[ . 1 . 2]" 1
219 1 17 ASN H 1 18 GLY H . . 4.030 2.932 2.486 3.714 . 0 0 "[ . 1 . 2]" 1
220 1 17 ASN HA 2 34 MET QG . . 4.790 4.483 4.256 4.698 . 0 0 "[ . 1 . 2]" 1
221 1 17 ASN HB2 1 18 GLY H . . 5.200 2.712 1.931 3.910 . 0 0 "[ . 1 . 2]" 1
222 1 17 ASN HB2 1 18 GLY HA2 . . 5.300 4.672 4.145 5.788 0.488 2 0 "[ . 1 . 2]" 1
223 1 17 ASN HB3 1 18 GLY H . . 5.120 3.538 2.430 4.007 . 0 0 "[ . 1 . 2]" 1
224 1 18 GLY H 2 34 MET ME . . 4.380 3.752 2.830 4.387 0.007 9 0 "[ . 1 . 2]" 1
225 1 18 GLY HA2 2 34 MET ME . . 4.110 3.146 2.338 3.727 . 0 0 "[ . 1 . 2]" 1
226 1 18 GLY HA2 2 87 PHE QE . . 4.220 4.109 3.493 4.667 0.447 17 0 "[ . 1 . 2]" 1
227 1 18 GLY HA2 2 88 MET H . . 5.500 5.521 5.060 6.115 0.615 17 1 "[ . 1 . + 2]" 1
228 1 18 GLY HA3 2 34 MET ME . . 4.270 3.161 2.211 3.700 . 0 0 "[ . 1 . 2]" 1
229 1 18 GLY HA3 2 87 PHE QE . . 4.690 3.078 2.805 3.543 . 0 0 "[ . 1 . 2]" 1
230 1 19 TYR H 1 19 TYR QD . . 4.770 4.242 4.100 4.412 . 0 0 "[ . 1 . 2]" 1
231 1 19 TYR H 2 87 PHE HA . . 5.500 4.806 4.404 5.160 . 0 0 "[ . 1 . 2]" 1
232 1 19 TYR H 2 87 PHE QE . . 4.930 3.082 2.383 3.996 . 0 0 "[ . 1 . 2]" 1
233 1 19 TYR H 2 88 MET H . . 3.980 3.264 2.958 3.641 . 0 0 "[ . 1 . 2]" 1
234 1 19 TYR H 2 88 MET HG3 . . 5.500 4.088 3.813 4.603 . 0 0 "[ . 1 . 2]" 1
235 1 19 TYR HA 1 19 TYR QD . . 3.640 2.917 2.780 3.106 . 0 0 "[ . 1 . 2]" 1
236 1 19 TYR HA 1 20 GLU H . . 3.510 2.227 2.203 2.274 . 0 0 "[ . 1 . 2]" 1
237 1 19 TYR QB 1 20 GLU H . . 5.170 3.788 3.690 3.852 . 0 0 "[ . 1 . 2]" 1
238 1 19 TYR QB 2 88 MET H . . 5.500 3.173 2.875 3.847 . 0 0 "[ . 1 . 2]" 1
239 1 19 TYR QB 2 88 MET ME . . 5.420 3.664 3.148 4.076 . 0 0 "[ . 1 . 2]" 1
240 1 19 TYR QB 2 88 MET HG3 . . 5.370 2.247 1.986 2.757 . 0 0 "[ . 1 . 2]" 1
241 1 19 TYR QD 1 20 GLU H . . 4.350 3.596 3.429 3.719 . 0 0 "[ . 1 . 2]" 1
242 1 19 TYR QD 1 21 ASN HA . . 4.440 4.133 3.632 4.374 . 0 0 "[ . 1 . 2]" 1
243 1 19 TYR QD 2 85 LEU QD . . 4.930 3.824 3.573 4.237 . 0 0 "[ . 1 . 2]" 1
244 1 19 TYR QD 2 87 PHE HA . . 5.490 3.971 3.775 4.259 . 0 0 "[ . 1 . 2]" 1
245 1 19 TYR QD 2 88 MET H . . 3.670 3.622 3.469 3.665 . 0 0 "[ . 1 . 2]" 1
246 1 19 TYR QD 2 88 MET ME . . 3.840 2.502 1.994 2.875 . 0 0 "[ . 1 . 2]" 1
247 1 19 TYR QD 2 88 MET HG2 . . 3.850 2.524 2.071 3.056 . 0 0 "[ . 1 . 2]" 1
248 1 19 TYR QD 2 88 MET HG3 . . 3.450 2.193 1.994 2.569 . 0 0 "[ . 1 . 2]" 1
249 1 19 TYR QD 2 127 GLN HA . . 5.420 4.441 4.240 4.625 . 0 0 "[ . 1 . 2]" 1
250 1 19 TYR QD 2 127 GLN HE21 . . 4.980 3.091 2.142 5.147 0.167 14 0 "[ . 1 . 2]" 1
251 1 19 TYR QD 2 127 GLN HE22 . . 5.500 4.204 2.489 5.158 . 0 0 "[ . 1 . 2]" 1
252 1 19 TYR QD 2 127 GLN HG2 . . 5.080 4.067 3.317 4.941 . 0 0 "[ . 1 . 2]" 1
253 1 19 TYR QD 2 127 GLN HG3 . . 4.760 3.263 2.726 3.703 . 0 0 "[ . 1 . 2]" 1
254 1 19 TYR QE 1 20 GLU H . . 5.190 4.553 4.316 4.727 . 0 0 "[ . 1 . 2]" 1
255 1 19 TYR QE 1 21 ASN HA . . 3.910 2.789 2.171 3.233 . 0 0 "[ . 1 . 2]" 1
256 1 19 TYR QE 2 85 LEU QD . . 5.150 4.123 3.896 4.393 . 0 0 "[ . 1 . 2]" 1
257 1 19 TYR QE 2 88 MET ME . . 3.820 2.341 2.022 2.655 . 0 0 "[ . 1 . 2]" 1
258 1 19 TYR QE 2 88 MET HG2 . . 5.320 3.867 3.505 4.417 . 0 0 "[ . 1 . 2]" 1
259 1 19 TYR QE 2 127 GLN HA . . 4.370 3.826 3.501 4.042 . 0 0 "[ . 1 . 2]" 1
260 1 19 TYR QE 2 127 GLN HE21 . . 5.100 3.432 2.159 4.076 . 0 0 "[ . 1 . 2]" 1
261 1 19 TYR QE 2 127 GLN HE22 . . 5.110 4.538 3.759 5.037 . 0 0 "[ . 1 . 2]" 1
262 1 19 TYR QE 2 127 GLN HG2 . . 4.900 3.168 2.391 4.013 . 0 0 "[ . 1 . 2]" 1
263 1 19 TYR QE 2 127 GLN HG3 . . 4.620 3.351 2.457 4.054 . 0 0 "[ . 1 . 2]" 1
264 1 19 TYR QE 2 130 CYS H . . 4.840 4.713 4.593 4.787 . 0 0 "[ . 1 . 2]" 1
265 1 19 TYR QE 2 130 CYS HA . . 5.500 4.843 4.613 5.165 . 0 0 "[ . 1 . 2]" 1
266 1 19 TYR QE 2 130 CYS HB2 . . 4.190 2.769 2.380 3.008 . 0 0 "[ . 1 . 2]" 1
267 1 19 TYR QE 2 130 CYS HB3 . . 4.010 2.764 2.468 3.301 . 0 0 "[ . 1 . 2]" 1
268 1 19 TYR QE 2 130 CYS HG . . 5.050 3.537 2.759 4.180 . 0 0 "[ . 1 . 2]" 1
269 1 20 GLU H 1 20 GLU HB2 . . 3.880 2.575 2.396 2.787 . 0 0 "[ . 1 . 2]" 1
270 1 20 GLU H 1 20 GLU HB3 . . 3.640 3.131 2.874 3.372 . 0 0 "[ . 1 . 2]" 1
271 1 20 GLU H 1 20 GLU QG . . 4.550 3.956 3.719 4.117 . 0 0 "[ . 1 . 2]" 1
272 1 20 GLU HA 2 87 PHE H . . 5.500 5.246 5.011 5.442 . 0 0 "[ . 1 . 2]" 1
273 1 20 GLU HA 2 87 PHE HA . . 3.840 2.666 2.403 2.895 . 0 0 "[ . 1 . 2]" 1
274 1 20 GLU HA 2 88 MET H . . 4.420 4.034 3.711 4.315 . 0 0 "[ . 1 . 2]" 1
275 1 20 GLU HB2 1 21 ASN H . . 5.100 4.657 4.475 4.736 . 0 0 "[ . 1 . 2]" 1
276 1 20 GLU HB2 2 32 VAL MG1 . . 5.090 4.531 4.078 4.875 . 0 0 "[ . 1 . 2]" 1
277 1 20 GLU HB2 2 32 VAL MG2 . . 5.500 5.162 4.710 5.443 . 0 0 "[ . 1 . 2]" 1
278 1 20 GLU HB2 2 87 PHE QE . . 4.280 3.900 3.030 4.290 0.010 19 0 "[ . 1 . 2]" 1
279 1 20 GLU HB3 1 21 ASN H . . 5.070 4.084 3.557 4.362 . 0 0 "[ . 1 . 2]" 1
280 1 20 GLU QG 1 21 ASN H . . 5.190 3.346 2.876 3.755 . 0 0 "[ . 1 . 2]" 1
281 1 20 GLU QG 2 32 VAL HA . . 5.290 4.133 3.929 4.297 . 0 0 "[ . 1 . 2]" 1
282 1 20 GLU QG 2 32 VAL HB . . 4.590 2.515 2.321 2.742 . 0 0 "[ . 1 . 2]" 1
283 1 20 GLU QG 2 32 VAL MG1 . . 3.580 2.113 1.877 2.342 . 0 0 "[ . 1 . 2]" 1
284 1 20 GLU QG 2 32 VAL MG2 . . 4.130 3.275 2.814 3.520 . 0 0 "[ . 1 . 2]" 1
285 1 20 GLU QG 2 87 PHE QE . . 5.040 3.398 2.256 4.414 . 0 0 "[ . 1 . 2]" 1
286 1 20 GLU QG 2 88 MET H . . 5.500 4.909 4.382 5.231 . 0 0 "[ . 1 . 2]" 1
287 1 21 ASN H 2 87 PHE HA . . 4.100 3.083 2.558 3.661 . 0 0 "[ . 1 . 2]" 1
288 1 21 ASN HB2 2 85 LEU QD . . 3.720 3.213 2.709 4.623 0.903 19 1 "[ . 1 . +2]" 1
289 1 21 ASN HB3 2 85 LEU QD . . 5.490 4.053 2.682 4.548 . 0 0 "[ . 1 . 2]" 1
290 1 21 ASN HD21 2 82 VAL MG2 . . 4.430 4.168 3.496 5.040 0.610 13 1 "[ . 1 + . 2]" 1
291 1 21 ASN HD21 2 83 ARG HA . . 5.500 4.447 3.804 5.215 . 0 0 "[ . 1 . 2]" 1
292 1 21 ASN HD21 2 85 LEU H . . 4.650 4.044 3.640 4.532 . 0 0 "[ . 1 . 2]" 1
293 1 21 ASN HD21 2 85 LEU HB2 . . 4.820 3.651 3.396 4.134 . 0 0 "[ . 1 . 2]" 1
294 1 21 ASN HD21 2 85 LEU QD . . 4.200 3.368 2.951 4.003 . 0 0 "[ . 1 . 2]" 1
295 1 21 ASN HD22 2 82 VAL MG1 . . 4.820 3.085 2.307 4.457 . 0 0 "[ . 1 . 2]" 1
296 1 21 ASN HD22 2 82 VAL MG2 . . 4.140 3.407 2.866 4.451 0.311 19 0 "[ . 1 . 2]" 1
297 1 21 ASN HD22 2 83 ARG HA . . 4.520 3.932 3.070 4.915 0.395 4 0 "[ . 1 . 2]" 1
298 1 21 ASN HD22 2 85 LEU H . . 5.120 4.662 3.555 5.128 0.008 8 0 "[ . 1 . 2]" 1
299 1 22 PRO HB2 1 23 THR MG . . 5.030 4.995 4.785 5.054 0.024 19 0 "[ . 1 . 2]" 1
300 1 22 PRO HD2 1 23 THR HB . . 4.660 4.197 3.891 4.661 0.001 9 0 "[ . 1 . 2]" 1
301 1 23 THR H 1 23 THR HG1 . . 5.230 4.387 3.594 5.005 . 0 0 "[ . 1 . 2]" 1
302 1 23 THR H 1 23 THR MG . . 4.300 2.390 1.927 4.071 . 0 0 "[ . 1 . 2]" 1
303 1 23 THR H 1 24 TYR H . . 4.200 2.662 1.899 3.643 . 0 0 "[ . 1 . 2]" 1
304 1 23 THR HA 1 23 THR MG . . 3.560 3.213 2.828 3.246 . 0 0 "[ . 1 . 2]" 1
305 1 23 THR HB 1 24 TYR H . . 5.430 3.924 2.864 4.064 . 0 0 "[ . 1 . 2]" 1
306 1 23 THR MG 1 24 TYR H . . 5.130 2.019 1.908 2.219 . 0 0 "[ . 1 . 2]" 1
307 1 23 THR MG 1 24 TYR HD1 . . 4.380 4.173 3.799 4.431 0.051 17 0 "[ . 1 . 2]" 1
308 1 23 THR MG 2 83 ARG HA . . 5.100 2.641 1.962 3.243 . 0 0 "[ . 1 . 2]" 1
309 1 24 TYR H 1 25 LYS H . . 5.100 3.826 2.872 4.672 . 0 0 "[ . 1 . 2]" 1
310 1 24 TYR H 1 25 LYS QB . . 5.450 5.051 4.647 5.295 . 0 0 "[ . 1 . 2]" 1
311 1 24 TYR H 2 86 SER HA . . 4.580 4.591 4.559 4.649 0.069 17 0 "[ . 1 . 2]" 1
312 1 24 TYR HA 1 24 TYR HD1 . . 3.710 2.206 2.122 2.434 . 0 0 "[ . 1 . 2]" 1
313 1 24 TYR HA 1 24 TYR HE1 . . 4.530 4.544 4.476 4.799 0.269 17 0 "[ . 1 . 2]" 1
314 1 24 TYR HA 2 83 ARG HA . . 5.100 5.024 4.605 5.123 0.023 16 0 "[ . 1 . 2]" 1
315 1 24 TYR HB2 2 86 SER HA . . 3.750 2.732 2.557 2.912 . 0 0 "[ . 1 . 2]" 1
316 1 24 TYR HB3 1 24 TYR HD2 . . 3.680 2.319 2.311 2.329 . 0 0 "[ . 1 . 2]" 1
317 1 24 TYR HB3 2 86 SER HA . . 4.170 3.539 3.057 3.908 . 0 0 "[ . 1 . 2]" 1
318 1 24 TYR HD1 2 84 PHE H . . 5.500 5.038 4.721 5.333 . 0 0 "[ . 1 . 2]" 1
319 1 24 TYR HD1 2 84 PHE HA . . 3.920 2.796 2.447 3.170 . 0 0 "[ . 1 . 2]" 1
320 1 24 TYR HD1 2 84 PHE QD . . 5.500 4.513 3.740 5.402 . 0 0 "[ . 1 . 2]" 1
321 1 24 TYR HD1 2 85 LEU H . . 5.040 4.817 4.504 5.000 . 0 0 "[ . 1 . 2]" 1
322 1 24 TYR HD2 2 31 PRO HB2 . . 4.480 3.978 3.464 4.364 . 0 0 "[ . 1 . 2]" 1
323 1 24 TYR HD2 2 86 SER HA . . 4.160 3.467 2.992 4.115 . 0 0 "[ . 1 . 2]" 1
324 1 24 TYR HD2 2 86 SER HB2 . . 4.800 3.362 2.486 4.414 . 0 0 "[ . 1 . 2]" 1
325 1 24 TYR HD2 2 86 SER HB3 . . 4.550 3.239 2.647 4.144 . 0 0 "[ . 1 . 2]" 1
326 1 24 TYR HE1 2 84 PHE HA . . 4.150 2.958 2.340 3.412 . 0 0 "[ . 1 . 2]" 1
327 1 24 TYR HE1 2 84 PHE QD . . 4.440 3.942 2.648 4.438 . 0 0 "[ . 1 . 2]" 1
328 1 24 TYR HE1 2 85 LEU H . . 5.500 5.402 5.186 5.557 0.057 17 0 "[ . 1 . 2]" 1
329 1 24 TYR HE1 2 102 ASP H . . 4.790 3.962 3.560 4.729 . 0 0 "[ . 1 . 2]" 1
330 1 24 TYR HE1 2 102 ASP HB2 . . 3.950 2.581 1.993 3.428 . 0 0 "[ . 1 . 2]" 1
331 1 24 TYR HE1 2 102 ASP HB3 . . 3.950 2.767 2.226 3.394 . 0 0 "[ . 1 . 2]" 1
332 1 24 TYR HE2 1 26 PHE HB2 . . 5.240 3.971 2.757 5.239 . 0 0 "[ . 1 . 2]" 1
333 1 24 TYR HE2 1 26 PHE HB3 . . 4.590 4.125 2.768 4.994 0.404 1 0 "[ . 1 . 2]" 1
334 1 24 TYR HE2 2 31 PRO HB2 . . 5.180 2.540 2.020 3.274 . 0 0 "[ . 1 . 2]" 1
335 1 24 TYR HE2 2 31 PRO HB3 . . 5.080 2.902 2.312 3.297 . 0 0 "[ . 1 . 2]" 1
336 1 24 TYR HE2 2 86 SER HB2 . . 4.520 3.443 2.727 4.325 . 0 0 "[ . 1 . 2]" 1
337 1 24 TYR HE2 2 86 SER HB3 . . 4.900 2.877 2.513 3.427 . 0 0 "[ . 1 . 2]" 1
338 1 24 TYR HE2 2 86 SER HG . . 5.330 4.085 3.527 4.785 . 0 0 "[ . 1 . 2]" 1
339 1 25 LYS H 1 25 LYS HD3 . . 5.460 4.968 2.705 6.103 0.643 19 1 "[ . 1 . +2]" 1
340 1 25 LYS H 1 25 LYS HG3 . . 5.500 4.236 2.821 4.966 . 0 0 "[ . 1 . 2]" 1
341 1 25 LYS H 1 26 PHE H . . 4.430 3.652 2.012 4.333 . 0 0 "[ . 1 . 2]" 1
342 1 25 LYS HA 1 25 LYS HD3 . . 5.000 3.994 2.467 5.438 0.438 17 0 "[ . 1 . 2]" 1
343 1 25 LYS QB 1 25 LYS HE2 . . 5.140 3.685 2.583 4.346 . 0 0 "[ . 1 . 2]" 1
344 1 25 LYS QB 1 26 PHE H . . 5.400 3.480 1.970 4.102 . 0 0 "[ . 1 . 2]" 1
345 1 25 LYS HE2 1 25 LYS HG2 . . 4.170 3.008 1.985 4.022 . 0 0 "[ . 1 . 2]" 1
346 1 25 LYS HE2 1 25 LYS HG3 . . 4.160 3.430 2.139 4.243 0.083 2 0 "[ . 1 . 2]" 1
347 1 25 LYS HG2 1 26 PHE H . . 5.500 4.054 2.118 5.000 . 0 0 "[ . 1 . 2]" 1
348 1 25 LYS HG3 1 26 PHE H . . 4.920 4.351 2.290 5.366 0.446 6 0 "[ . 1 . 2]" 1
349 1 26 PHE H 1 27 PHE H . . 4.400 3.791 1.965 4.498 0.098 10 0 "[ . 1 . 2]" 1
350 1 26 PHE HA 1 26 PHE HD1 . . 3.750 3.342 2.246 4.204 0.454 10 0 "[ . 1 . 2]" 1
351 1 26 PHE HB2 1 26 PHE HE2 . . 5.070 4.886 4.667 5.457 0.387 3 0 "[ . 1 . 2]" 1
352 1 26 PHE HB2 1 27 PHE H . . 5.210 4.154 2.476 4.714 . 0 0 "[ . 1 . 2]" 1
353 1 26 PHE HB3 1 27 PHE H . . 5.250 3.902 2.523 4.650 . 0 0 "[ . 1 . 2]" 1
354 1 27 PHE H 1 27 PHE HD1 . . 4.600 3.976 2.332 4.555 . 0 0 "[ . 1 . 2]" 1
355 1 27 PHE H 1 28 GLU H . . 4.600 4.259 3.372 4.629 0.029 4 0 "[ . 1 . 2]" 1
356 1 27 PHE HA 1 27 PHE HD1 . . 3.840 2.636 2.001 3.866 0.026 18 0 "[ . 1 . 2]" 1
357 1 27 PHE HB3 1 27 PHE HD1 . . 3.700 3.049 2.554 3.743 0.043 13 0 "[ . 1 . 2]" 1
358 1 27 PHE HB3 1 28 GLU H . . 4.880 3.219 1.993 4.478 . 0 0 "[ . 1 . 2]" 1
359 1 27 PHE HD1 1 28 GLU H . . 4.590 3.756 2.027 4.541 . 0 0 "[ . 1 . 2]" 1
360 1 28 GLU H 1 28 GLU HB2 . . 3.630 2.995 2.031 4.027 0.397 4 0 "[ . 1 . 2]" 1
361 1 28 GLU H 1 28 GLU HG2 . . 4.710 3.611 1.967 4.672 . 0 0 "[ . 1 . 2]" 1
362 1 28 GLU H 1 28 GLU HG3 . . 4.630 3.814 2.294 4.636 0.006 12 0 "[ . 1 . 2]" 1
363 1 30 MET H 1 30 MET HB2 . . 3.840 2.652 1.987 4.017 0.177 7 0 "[ . 1 . 2]" 1
364 1 30 MET H 1 30 MET ME . . 5.010 4.265 3.081 4.896 . 0 0 "[ . 1 . 2]" 1
365 1 30 MET H 1 30 MET HG3 . . 4.360 3.763 2.014 4.688 0.328 2 0 "[ . 1 . 2]" 1
366 1 30 MET HA 1 31 GLN QG . . 5.020 4.128 3.171 4.814 . 0 0 "[ . 1 . 2]" 1
367 1 31 GLN H 1 31 GLN HE21 . . 4.770 3.917 2.318 4.764 . 0 0 "[ . 1 . 2]" 1
368 2 9 THR HA 2 10 PRO HD2 . . 3.060 2.607 2.292 2.788 . 0 0 "[ . 1 . 2]" 1
369 2 9 THR HA 2 10 PRO HD3 . . 3.260 1.950 1.889 2.024 . 0 0 "[ . 1 . 2]" 1
370 2 9 THR HB 2 10 PRO HD3 . . 3.960 3.581 3.007 4.556 0.596 16 3 "[ - . 1* .+ 2]" 1
371 2 9 THR MG 2 10 PRO HD2 . . 4.440 3.297 1.772 3.876 . 0 0 "[ . 1 . 2]" 1
372 2 9 THR MG 2 10 PRO HD3 . . 3.870 3.637 2.718 4.355 0.485 7 0 "[ . 1 . 2]" 1
373 2 10 PRO HA 2 11 LYS H . . 3.300 2.366 2.150 2.693 . 0 0 "[ . 1 . 2]" 1
374 2 11 LYS H 2 11 LYS HB3 . . 3.960 3.417 2.478 4.073 0.113 10 0 "[ . 1 . 2]" 1
375 2 11 LYS H 2 11 LYS HG2 . . 4.640 4.314 2.071 5.223 0.583 2 1 "[ + . 1 . 2]" 1
376 2 11 LYS HA 2 12 THR H . . 3.450 2.348 2.176 2.741 . 0 0 "[ . 1 . 2]" 1
377 2 11 LYS HB2 2 12 THR H . . 4.790 4.132 2.913 4.727 . 0 0 "[ . 1 . 2]" 1
378 2 12 THR H 2 12 THR MG . . 4.520 3.017 2.015 3.988 . 0 0 "[ . 1 . 2]" 1
379 2 12 THR H 2 13 GLU H . . 4.640 4.460 4.088 4.671 0.031 9 0 "[ . 1 . 2]" 1
380 2 12 THR HA 2 12 THR MG . . 3.360 2.656 2.204 3.246 . 0 0 "[ . 1 . 2]" 1
381 2 12 THR HA 2 13 GLU H . . 3.200 2.287 2.153 2.792 . 0 0 "[ . 1 . 2]" 1
382 2 12 THR HB 2 13 GLU H . . 4.370 3.920 2.696 4.363 . 0 0 "[ . 1 . 2]" 1
383 2 12 THR MG 2 13 GLU H . . 4.810 3.190 1.869 4.337 . 0 0 "[ . 1 . 2]" 1
384 2 13 GLU H 2 13 GLU HB2 . . 3.720 2.975 2.020 3.992 0.272 18 0 "[ . 1 . 2]" 1
385 2 13 GLU H 2 13 GLU HG3 . . 4.420 3.852 2.199 4.856 0.436 12 0 "[ . 1 . 2]" 1
386 2 13 GLU HA 2 13 GLU HG2 . . 3.350 2.710 1.997 4.022 0.672 18 2 "[ . - 1 . + 2]" 1
387 2 13 GLU HA 2 14 LEU H . . 2.970 2.494 2.202 2.924 . 0 0 "[ . 1 . 2]" 1
388 2 13 GLU HB2 2 14 LEU H . . 4.480 3.668 2.112 4.401 . 0 0 "[ . 1 . 2]" 1
389 2 13 GLU HB3 2 13 GLU HG2 . . 2.940 2.616 2.285 2.969 0.029 19 0 "[ . 1 . 2]" 1
390 2 13 GLU HB3 2 14 LEU H . . 4.420 3.093 1.966 4.405 . 0 0 "[ . 1 . 2]" 1
391 2 13 GLU HG2 2 14 LEU H . . 4.970 3.369 2.143 4.709 . 0 0 "[ . 1 . 2]" 1
392 2 14 LEU H 2 14 LEU HB2 . . 3.210 2.589 2.082 3.776 0.566 14 1 "[ . 1 +. 2]" 1
393 2 14 LEU H 2 14 LEU MD1 . . 4.650 3.904 1.955 4.380 . 0 0 "[ . 1 . 2]" 1
394 2 14 LEU H 2 14 LEU MD2 . . 4.350 2.849 1.906 4.620 0.270 5 0 "[ . 1 . 2]" 1
395 2 14 LEU H 2 15 VAL H . . 4.550 4.288 3.700 4.542 . 0 0 "[ . 1 . 2]" 1
396 2 14 LEU HA 2 14 LEU HB3 . . 3.010 2.727 2.606 2.845 . 0 0 "[ . 1 . 2]" 1
397 2 14 LEU HA 2 14 LEU MD1 . . 3.510 2.331 2.004 3.451 . 0 0 "[ . 1 . 2]" 1
398 2 14 LEU HA 2 14 LEU MD2 . . 3.130 2.476 1.964 3.372 0.242 3 0 "[ . 1 . 2]" 1
399 2 14 LEU HA 2 15 VAL H . . 2.760 2.221 2.176 2.521 . 0 0 "[ . 1 . 2]" 1
400 2 14 LEU HB3 2 14 LEU MD1 . . 3.150 2.392 2.018 3.050 . 0 0 "[ . 1 . 2]" 1
401 2 14 LEU HB3 2 15 VAL H . . 3.840 3.585 2.600 4.340 0.500 14 0 "[ . 1 . 2]" 1
402 2 14 LEU MD1 2 15 VAL H . . 4.250 3.139 2.262 4.517 0.267 5 0 "[ . 1 . 2]" 1
403 2 14 LEU MD2 2 15 VAL H . . 4.550 3.955 2.285 4.546 . 0 0 "[ . 1 . 2]" 1
404 2 15 VAL H 2 15 VAL HB . . 3.200 2.621 2.337 3.510 0.310 20 0 "[ . 1 . 2]" 1
405 2 15 VAL H 2 15 VAL QG . . 3.260 2.690 1.877 3.080 . 0 0 "[ . 1 . 2]" 1
406 2 15 VAL H 2 16 GLN H . . 4.720 4.479 4.393 4.602 . 0 0 "[ . 1 . 2]" 1
407 2 15 VAL HA 2 15 VAL QG . . 3.150 2.124 2.046 2.412 . 0 0 "[ . 1 . 2]" 1
408 2 15 VAL HA 2 16 GLN H . . 2.900 2.374 2.255 2.631 . 0 0 "[ . 1 . 2]" 1
409 2 15 VAL HA 2 61 ALA MB . . 3.420 3.163 2.248 3.407 . 0 0 "[ . 1 . 2]" 1
410 2 15 VAL HB 2 16 GLN H . . 4.150 3.854 2.158 4.170 0.020 10 0 "[ . 1 . 2]" 1
411 2 15 VAL HB 2 17 LYS HE3 . . 4.320 3.218 2.625 4.363 0.043 20 0 "[ . 1 . 2]" 1
412 2 15 VAL QG 2 16 GLN H . . 3.490 2.067 1.795 3.083 . 0 0 "[ . 1 . 2]" 1
413 2 15 VAL QG 2 17 LYS H . . 4.180 2.043 1.809 3.216 . 0 0 "[ . 1 . 2]" 1
414 2 15 VAL QG 2 17 LYS HA . . 4.630 3.017 2.709 3.690 . 0 0 "[ . 1 . 2]" 1
415 2 15 VAL QG 2 17 LYS HE3 . . 3.500 2.660 1.870 3.239 . 0 0 "[ . 1 . 2]" 1
416 2 15 VAL QG 2 59 ASN HA . . 4.030 2.582 2.315 3.304 . 0 0 "[ . 1 . 2]" 1
417 2 15 VAL QG 2 59 ASN QB . . 3.520 2.216 2.006 2.694 . 0 0 "[ . 1 . 2]" 1
418 2 15 VAL QG 2 60 VAL H . . 3.980 2.164 1.856 3.555 . 0 0 "[ . 1 . 2]" 1
419 2 15 VAL QG 2 61 ALA MB . . 3.110 1.985 1.662 2.173 . 0 0 "[ . 1 . 2]" 1
420 2 16 GLN H 2 16 GLN HB2 . . 3.410 2.559 2.494 2.661 . 0 0 "[ . 1 . 2]" 1
421 2 16 GLN H 2 16 GLN HE21 . . 4.990 4.793 4.598 4.954 . 0 0 "[ . 1 . 2]" 1
422 2 16 GLN H 2 16 GLN HG2 . . 3.930 2.337 2.084 3.079 . 0 0 "[ . 1 . 2]" 1
423 2 16 GLN H 2 16 GLN HG3 . . 3.900 2.759 2.187 3.008 . 0 0 "[ . 1 . 2]" 1
424 2 16 GLN H 2 17 LYS H . . 4.250 2.600 2.178 2.852 . 0 0 "[ . 1 . 2]" 1
425 2 16 GLN H 2 59 ASN HA . . 5.110 4.891 4.573 5.157 0.047 9 0 "[ . 1 . 2]" 1
426 2 16 GLN H 2 60 VAL H . . 4.330 3.160 2.886 3.623 . 0 0 "[ . 1 . 2]" 1
427 2 16 GLN H 2 60 VAL HB . . 4.640 3.852 3.559 4.288 . 0 0 "[ . 1 . 2]" 1
428 2 16 GLN H 2 61 ALA MB . . 4.130 4.082 3.145 4.192 0.062 7 0 "[ . 1 . 2]" 1
429 2 16 GLN HA 2 16 GLN HE21 . . 4.370 4.254 3.664 4.375 0.005 11 0 "[ . 1 . 2]" 1
430 2 16 GLN HA 2 16 GLN HG2 . . 3.380 2.544 2.504 2.597 . 0 0 "[ . 1 . 2]" 1
431 2 16 GLN HA 2 17 LYS HB2 . . 4.560 4.201 4.153 4.305 . 0 0 "[ . 1 . 2]" 1
432 2 16 GLN HB2 2 17 LYS H . . 3.840 2.512 2.303 2.868 . 0 0 "[ . 1 . 2]" 1
433 2 16 GLN HB2 2 18 PHE QD . . 3.920 3.424 3.192 3.739 . 0 0 "[ . 1 . 2]" 1
434 2 16 GLN HB2 2 18 PHE QE . . 3.470 2.269 1.986 2.594 . 0 0 "[ . 1 . 2]" 1
435 2 16 GLN HB2 2 60 VAL H . . 4.320 3.191 2.837 3.590 . 0 0 "[ . 1 . 2]" 1
436 2 16 GLN HB2 2 60 VAL HB . . 2.960 2.267 2.020 2.691 . 0 0 "[ . 1 . 2]" 1
437 2 16 GLN HB2 2 125 ALA MB . . 3.560 3.493 3.059 3.582 0.022 5 0 "[ . 1 . 2]" 1
438 2 16 GLN HB3 2 16 GLN HE22 . . 4.560 3.233 3.165 3.333 . 0 0 "[ . 1 . 2]" 1
439 2 16 GLN HE21 2 60 VAL MG1 . . 5.130 3.767 3.472 4.752 . 0 0 "[ . 1 . 2]" 1
440 2 16 GLN HE21 2 125 ALA HA . . 4.380 3.858 3.442 4.391 0.011 9 0 "[ . 1 . 2]" 1
441 2 16 GLN HE21 2 125 ALA MB . . 2.910 2.514 1.916 2.932 0.022 9 0 "[ . 1 . 2]" 1
442 2 16 GLN HE22 2 16 GLN HG3 . . 4.020 3.724 3.627 4.157 0.137 9 0 "[ . 1 . 2]" 1
443 2 16 GLN HE22 2 60 VAL MG1 . . 4.910 4.860 4.455 4.922 0.012 12 0 "[ . 1 . 2]" 1
444 2 16 GLN HE22 2 125 ALA MB . . 4.560 3.398 2.228 3.968 . 0 0 "[ . 1 . 2]" 1
445 2 16 GLN HG2 2 17 LYS H . . 4.370 4.387 4.314 4.709 0.339 9 0 "[ . 1 . 2]" 1
446 2 16 GLN HG3 2 17 LYS H . . 4.570 4.304 3.943 4.444 . 0 0 "[ . 1 . 2]" 1
447 2 16 GLN HG3 2 60 VAL MG1 . . 4.450 3.137 2.759 3.584 . 0 0 "[ . 1 . 2]" 1
448 2 16 GLN HG3 2 125 ALA MB . . 4.360 3.770 3.302 4.031 . 0 0 "[ . 1 . 2]" 1
449 2 17 LYS H 2 17 LYS HB2 . . 3.710 3.335 3.261 3.377 . 0 0 "[ . 1 . 2]" 1
450 2 17 LYS H 2 17 LYS HD2 . . 4.730 4.854 4.642 5.194 0.464 5 0 "[ . 1 . 2]" 1
451 2 17 LYS H 2 17 LYS HG2 . . 4.510 4.287 4.048 4.492 . 0 0 "[ . 1 . 2]" 1
452 2 17 LYS H 2 17 LYS HG3 . . 4.290 3.018 2.861 3.140 . 0 0 "[ . 1 . 2]" 1
453 2 17 LYS H 2 18 PHE H . . 4.780 4.272 4.202 4.365 . 0 0 "[ . 1 . 2]" 1
454 2 17 LYS H 2 60 VAL H . . 5.380 1.905 1.861 2.112 . 0 0 "[ . 1 . 2]" 1
455 2 17 LYS H 2 60 VAL HB . . 4.500 3.365 2.757 3.633 . 0 0 "[ . 1 . 2]" 1
456 2 17 LYS HA 2 17 LYS HD2 . . 4.420 4.444 4.320 4.576 0.156 8 0 "[ . 1 . 2]" 1
457 2 17 LYS HA 2 17 LYS HE3 . . 4.700 4.273 3.385 4.793 0.093 20 0 "[ . 1 . 2]" 1
458 2 17 LYS HA 2 17 LYS HG2 . . 4.080 2.710 2.498 3.007 . 0 0 "[ . 1 . 2]" 1
459 2 17 LYS HA 2 17 LYS HG3 . . 4.080 2.288 2.100 2.471 . 0 0 "[ . 1 . 2]" 1
460 2 17 LYS HA 2 18 PHE H . . 3.290 2.328 2.293 2.384 . 0 0 "[ . 1 . 2]" 1
461 2 17 LYS HA 2 18 PHE QD . . 4.290 3.484 3.169 3.709 . 0 0 "[ . 1 . 2]" 1
462 2 17 LYS HA 2 58 MET H . . 4.990 4.690 4.471 4.866 . 0 0 "[ . 1 . 2]" 1
463 2 17 LYS HA 2 59 ASN HA . . 3.570 2.016 1.969 2.212 . 0 0 "[ . 1 . 2]" 1
464 2 17 LYS HA 2 59 ASN QB . . 4.790 4.220 4.113 4.402 . 0 0 "[ . 1 . 2]" 1
465 2 17 LYS HA 2 60 VAL H . . 4.410 2.973 2.543 3.208 . 0 0 "[ . 1 . 2]" 1
466 2 17 LYS HA 2 60 VAL MG2 . . 3.870 3.841 3.712 3.917 0.047 13 0 "[ . 1 . 2]" 1
467 2 17 LYS HB2 2 17 LYS HE3 . . 4.280 3.533 1.952 4.382 0.102 3 0 "[ . 1 . 2]" 1
468 2 17 LYS HB2 2 18 PHE H . . 4.220 4.196 4.072 4.262 0.042 17 0 "[ . 1 . 2]" 1
469 2 17 LYS HB2 2 59 ASN HA . . 4.660 4.573 4.365 4.720 0.060 6 0 "[ . 1 . 2]" 1
470 2 17 LYS HB3 2 17 LYS HE2 . . 4.310 4.531 4.379 4.790 0.480 19 0 "[ . 1 . 2]" 1
471 2 17 LYS HB3 2 18 PHE H . . 4.420 2.957 2.771 3.059 . 0 0 "[ . 1 . 2]" 1
472 2 17 LYS HB3 2 59 ASN HA . . 4.460 4.424 4.212 4.493 0.033 10 0 "[ . 1 . 2]" 1
473 2 17 LYS HD2 2 17 LYS HE3 . . 2.800 2.696 2.555 2.924 0.124 5 0 "[ . 1 . 2]" 1
474 2 17 LYS HE2 2 17 LYS HG2 . . 3.290 3.157 2.578 4.175 0.885 5 7 "[ * +* * 1 * - *2]" 1
475 2 17 LYS HE2 2 17 LYS HG3 . . 3.260 3.269 3.193 3.373 0.113 5 0 "[ . 1 . 2]" 1
476 2 17 LYS HG2 2 18 PHE H . . 4.520 3.657 3.377 3.940 . 0 0 "[ . 1 . 2]" 1
477 2 17 LYS HG2 2 59 ASN HA . . 4.580 3.362 2.597 3.882 . 0 0 "[ . 1 . 2]" 1
478 2 17 LYS HG3 2 18 PHE H . . 4.560 4.203 3.970 4.462 . 0 0 "[ . 1 . 2]" 1
479 2 17 LYS HG3 2 59 ASN QB . . 4.440 3.774 3.474 3.929 . 0 0 "[ . 1 . 2]" 1
480 2 18 PHE H 2 18 PHE HB2 . . 4.020 2.751 2.689 2.804 . 0 0 "[ . 1 . 2]" 1
481 2 18 PHE H 2 18 PHE QD . . 3.630 3.547 3.373 3.658 0.028 8 0 "[ . 1 . 2]" 1
482 2 18 PHE H 2 57 ASN HA . . 5.090 3.816 3.565 4.106 . 0 0 "[ . 1 . 2]" 1
483 2 18 PHE H 2 58 MET H . . 4.020 2.832 2.653 2.951 . 0 0 "[ . 1 . 2]" 1
484 2 18 PHE H 2 58 MET HB2 . . 4.940 4.829 4.616 4.951 0.011 8 0 "[ . 1 . 2]" 1
485 2 18 PHE H 2 58 MET HB3 . . 4.810 3.408 3.135 3.562 . 0 0 "[ . 1 . 2]" 1
486 2 18 PHE H 2 58 MET HG2 . . 5.500 4.453 4.061 5.229 . 0 0 "[ . 1 . 2]" 1
487 2 18 PHE H 2 59 ASN HA . . 4.240 3.692 3.514 3.935 . 0 0 "[ . 1 . 2]" 1
488 2 18 PHE H 2 60 VAL H . . 5.080 4.885 4.543 5.090 0.010 17 0 "[ . 1 . 2]" 1
489 2 18 PHE H 2 60 VAL MG2 . . 4.990 4.336 4.175 4.530 . 0 0 "[ . 1 . 2]" 1
490 2 18 PHE HA 2 19 ARG H . . 3.380 2.253 2.197 2.297 . 0 0 "[ . 1 . 2]" 1
491 2 18 PHE HB2 2 19 ARG H . . 4.630 4.583 4.488 4.636 0.006 12 0 "[ . 1 . 2]" 1
492 2 18 PHE HB2 2 20 VAL MG1 . . 3.820 3.353 2.939 3.644 . 0 0 "[ . 1 . 2]" 1
493 2 18 PHE HB2 2 58 MET H . . 4.860 3.359 3.144 3.534 . 0 0 "[ . 1 . 2]" 1
494 2 18 PHE HB2 2 58 MET HB2 . . 4.540 3.697 3.653 3.737 . 0 0 "[ . 1 . 2]" 1
495 2 18 PHE HB2 2 58 MET HB3 . . 4.320 1.986 1.972 2.001 . 0 0 "[ . 1 . 2]" 1
496 2 18 PHE HB2 2 58 MET ME . . 4.260 4.308 4.285 4.340 0.080 16 0 "[ . 1 . 2]" 1
497 2 18 PHE HB2 2 122 VAL QG . . 3.730 3.335 2.934 3.660 . 0 0 "[ . 1 . 2]" 1
498 2 18 PHE HB3 2 19 ARG H . . 4.080 4.000 3.748 4.115 0.035 8 0 "[ . 1 . 2]" 1
499 2 18 PHE HB3 2 20 VAL MG1 . . 3.670 2.435 2.270 2.660 . 0 0 "[ . 1 . 2]" 1
500 2 18 PHE HB3 2 20 VAL MG2 . . 4.650 4.196 3.883 4.449 . 0 0 "[ . 1 . 2]" 1
501 2 18 PHE HB3 2 58 MET HB2 . . 4.990 4.521 4.117 4.828 . 0 0 "[ . 1 . 2]" 1
502 2 18 PHE HB3 2 58 MET HB3 . . 4.690 2.967 2.513 3.376 . 0 0 "[ . 1 . 2]" 1
503 2 18 PHE HB3 2 122 VAL QG . . 3.590 2.542 2.272 2.837 . 0 0 "[ . 1 . 2]" 1
504 2 18 PHE QD 2 19 ARG H . . 4.560 4.535 4.346 4.590 0.030 19 0 "[ . 1 . 2]" 1
505 2 18 PHE QD 2 20 VAL MG1 . . 4.170 3.749 3.267 4.094 . 0 0 "[ . 1 . 2]" 1
506 2 18 PHE QD 2 58 MET H . . 5.090 5.019 4.781 5.149 0.059 10 0 "[ . 1 . 2]" 1
507 2 18 PHE QD 2 58 MET HB3 . . 4.170 3.828 3.530 4.014 . 0 0 "[ . 1 . 2]" 1
508 2 18 PHE QD 2 60 VAL HB . . 4.400 2.893 2.500 3.383 . 0 0 "[ . 1 . 2]" 1
509 2 18 PHE QD 2 60 VAL MG2 . . 3.530 2.031 1.874 2.366 . 0 0 "[ . 1 . 2]" 1
510 2 18 PHE QD 2 122 VAL HA . . 4.520 3.764 3.341 3.948 . 0 0 "[ . 1 . 2]" 1
511 2 18 PHE QD 2 122 VAL QG . . 3.440 2.654 2.199 3.059 . 0 0 "[ . 1 . 2]" 1
512 2 18 PHE QD 2 125 ALA MB . . 4.050 3.368 3.190 3.538 . 0 0 "[ . 1 . 2]" 1
513 2 18 PHE QE 2 60 VAL H . . 5.070 4.349 4.008 4.759 . 0 0 "[ . 1 . 2]" 1
514 2 18 PHE QE 2 60 VAL HB . . 4.240 2.289 1.992 2.645 . 0 0 "[ . 1 . 2]" 1
515 2 18 PHE QE 2 60 VAL MG1 . . 3.850 3.150 2.799 3.480 . 0 0 "[ . 1 . 2]" 1
516 2 18 PHE QE 2 60 VAL MG2 . . 3.130 2.933 2.485 3.156 0.026 9 0 "[ . 1 . 2]" 1
517 2 18 PHE QE 2 121 ASN HB2 . . 4.050 3.248 2.126 3.791 . 0 0 "[ . 1 . 2]" 1
518 2 18 PHE QE 2 121 ASN HB3 . . 3.850 2.080 1.990 2.330 . 0 0 "[ . 1 . 2]" 1
519 2 18 PHE QE 2 122 VAL HA . . 3.940 3.819 3.438 3.951 0.011 4 0 "[ . 1 . 2]" 1
520 2 18 PHE QE 2 122 VAL QG . . 3.870 3.680 3.158 3.818 . 0 0 "[ . 1 . 2]" 1
521 2 18 PHE QE 2 125 ALA H . . 4.780 4.423 4.110 4.641 . 0 0 "[ . 1 . 2]" 1
522 2 18 PHE QE 2 125 ALA MB . . 2.960 1.950 1.805 2.116 . 0 0 "[ . 1 . 2]" 1
523 2 19 ARG H 2 19 ARG HB2 . . 3.550 2.195 2.039 2.332 . 0 0 "[ . 1 . 2]" 1
524 2 19 ARG H 2 19 ARG HB3 . . 3.590 2.850 2.658 3.168 . 0 0 "[ . 1 . 2]" 1
525 2 19 ARG H 2 19 ARG HD2 . . 5.050 4.517 3.888 4.754 . 0 0 "[ . 1 . 2]" 1
526 2 19 ARG H 2 19 ARG QG . . 4.190 3.876 3.826 3.935 . 0 0 "[ . 1 . 2]" 1
527 2 19 ARG H 2 20 VAL MG1 . . 4.860 3.743 3.647 3.836 . 0 0 "[ . 1 . 2]" 1
528 2 19 ARG HA 2 19 ARG HD2 . . 3.880 3.463 2.922 3.916 0.036 7 0 "[ . 1 . 2]" 1
529 2 19 ARG HA 2 19 ARG QG . . 3.400 2.145 2.089 2.230 . 0 0 "[ . 1 . 2]" 1
530 2 19 ARG HA 2 20 VAL H . . 3.080 2.243 2.225 2.274 . 0 0 "[ . 1 . 2]" 1
531 2 19 ARG HA 2 20 VAL MG1 . . 4.490 3.538 3.362 3.727 . 0 0 "[ . 1 . 2]" 1
532 2 19 ARG HA 2 20 VAL MG2 . . 4.360 4.128 4.066 4.272 . 0 0 "[ . 1 . 2]" 1
533 2 19 ARG HA 2 56 VAL H . . 4.970 4.623 4.258 4.864 . 0 0 "[ . 1 . 2]" 1
534 2 19 ARG HA 2 56 VAL MG2 . . 4.570 4.552 4.357 4.605 0.035 16 0 "[ . 1 . 2]" 1
535 2 19 ARG HA 2 57 ASN HA . . 3.600 2.240 1.998 2.560 . 0 0 "[ . 1 . 2]" 1
536 2 19 ARG HA 2 58 MET H . . 4.310 3.260 2.951 3.563 . 0 0 "[ . 1 . 2]" 1
537 2 19 ARG HB2 2 19 ARG HD2 . . 3.640 3.358 2.861 3.598 . 0 0 "[ . 1 . 2]" 1
538 2 19 ARG HB2 2 20 VAL H . . 4.640 4.636 4.596 4.679 0.039 15 0 "[ . 1 . 2]" 1
539 2 19 ARG HB3 2 19 ARG HD2 . . 3.290 2.946 2.066 4.110 0.820 14 8 "[* * - *+** *]" 1
540 2 19 ARG HB3 2 20 VAL H . . 4.570 4.207 3.828 4.422 . 0 0 "[ . 1 . 2]" 1
541 2 19 ARG HD3 2 20 VAL H . . 4.950 4.899 4.003 5.716 0.766 10 8 "[* * + *-** *]" 1
542 2 19 ARG QG 2 20 VAL H . . 3.500 3.288 2.991 3.465 . 0 0 "[ . 1 . 2]" 1
543 2 19 ARG QG 2 56 VAL H . . 4.730 4.028 3.637 4.407 . 0 0 "[ . 1 . 2]" 1
544 2 19 ARG QG 2 57 ASN HA . . 4.480 3.329 2.965 3.660 . 0 0 "[ . 1 . 2]" 1
545 2 20 VAL H 2 20 VAL MG1 . . 3.630 2.704 2.604 2.786 . 0 0 "[ . 1 . 2]" 1
546 2 20 VAL H 2 20 VAL MG2 . . 3.350 2.334 2.205 2.487 . 0 0 "[ . 1 . 2]" 1
547 2 20 VAL H 2 21 GLN H . . 4.740 4.276 4.250 4.313 . 0 0 "[ . 1 . 2]" 1
548 2 20 VAL H 2 56 VAL H . . 4.110 3.357 3.049 3.781 . 0 0 "[ . 1 . 2]" 1
549 2 20 VAL H 2 56 VAL MG2 . . 3.640 3.210 2.972 3.320 . 0 0 "[ . 1 . 2]" 1
550 2 20 VAL H 2 57 ASN HA . . 3.890 3.195 2.959 3.400 . 0 0 "[ . 1 . 2]" 1
551 2 20 VAL H 2 58 MET H . . 4.960 3.423 3.133 3.875 . 0 0 "[ . 1 . 2]" 1
552 2 20 VAL HA 2 20 VAL MG1 . . 3.140 2.503 2.443 2.555 . 0 0 "[ . 1 . 2]" 1
553 2 20 VAL HA 2 20 VAL MG2 . . 3.570 3.199 3.188 3.207 . 0 0 "[ . 1 . 2]" 1
554 2 20 VAL HA 2 21 GLN H . . 3.320 2.854 2.809 2.881 . 0 0 "[ . 1 . 2]" 1
555 2 20 VAL HA 2 21 GLN HB2 . . 4.330 4.287 4.256 4.319 . 0 0 "[ . 1 . 2]" 1
556 2 20 VAL HB 2 21 GLN H . . 3.460 2.119 2.059 2.160 . 0 0 "[ . 1 . 2]" 1
557 2 20 VAL HB 2 113 PHE HB3 . . 4.430 3.503 3.263 3.635 . 0 0 "[ . 1 . 2]" 1
558 2 20 VAL HB 2 114 TRP H . . 4.040 3.671 3.381 3.888 . 0 0 "[ . 1 . 2]" 1
559 2 20 VAL MG1 2 21 GLN H . . 3.730 3.749 3.715 3.777 0.047 13 0 "[ . 1 . 2]" 1
560 2 20 VAL MG1 2 58 MET H . . 4.910 3.612 3.423 3.777 . 0 0 "[ . 1 . 2]" 1
561 2 20 VAL MG1 2 113 PHE HB3 . . 4.240 4.099 3.942 4.240 0.000 4 0 "[ . 1 . 2]" 1
562 2 20 VAL MG1 2 113 PHE QD . . 4.430 4.425 4.341 4.484 0.054 11 0 "[ . 1 . 2]" 1
563 2 20 VAL MG1 2 116 GLU H . . 4.040 3.809 3.375 4.070 0.030 19 0 "[ . 1 . 2]" 1
564 2 20 VAL MG1 2 122 VAL QG . . 2.880 2.153 1.856 2.321 . 0 0 "[ . 1 . 2]" 1
565 2 20 VAL MG2 2 21 GLN H . . 3.700 2.179 2.031 2.291 . 0 0 "[ . 1 . 2]" 1
566 2 20 VAL MG2 2 21 GLN HB3 . . 4.400 4.416 4.396 4.440 0.040 7 0 "[ . 1 . 2]" 1
567 2 20 VAL MG2 2 56 VAL H . . 4.420 3.836 3.697 4.077 . 0 0 "[ . 1 . 2]" 1
568 2 20 VAL MG2 2 57 ASN HA . . 4.360 4.296 4.138 4.372 0.012 12 0 "[ . 1 . 2]" 1
569 2 20 VAL MG2 2 58 MET H . . 4.300 3.470 3.327 3.614 . 0 0 "[ . 1 . 2]" 1
570 2 20 VAL MG2 2 58 MET HB2 . . 3.900 2.938 2.718 3.230 . 0 0 "[ . 1 . 2]" 1
571 2 20 VAL MG2 2 58 MET HB3 . . 4.040 3.357 3.145 3.623 . 0 0 "[ . 1 . 2]" 1
572 2 20 VAL MG2 2 113 PHE HB3 . . 3.870 2.154 1.983 2.291 . 0 0 "[ . 1 . 2]" 1
573 2 20 VAL MG2 2 113 PHE QD . . 3.350 2.043 1.953 2.121 . 0 0 "[ . 1 . 2]" 1
574 2 20 VAL MG2 2 113 PHE QE . . 4.070 3.668 3.573 3.769 . 0 0 "[ . 1 . 2]" 1
575 2 20 VAL MG2 2 114 TRP H . . 4.820 3.106 2.854 3.381 . 0 0 "[ . 1 . 2]" 1
576 2 21 GLN H 2 21 GLN HB2 . . 3.830 2.362 2.314 2.412 . 0 0 "[ . 1 . 2]" 1
577 2 21 GLN H 2 21 GLN HG3 . . 4.060 4.084 3.952 4.129 0.069 13 0 "[ . 1 . 2]" 1
578 2 21 GLN H 2 22 TYR H . . 5.320 4.520 4.500 4.544 . 0 0 "[ . 1 . 2]" 1
579 2 21 GLN H 2 113 PHE QD . . 5.030 4.066 3.878 4.305 . 0 0 "[ . 1 . 2]" 1
580 2 21 GLN H 2 114 TRP H . . 4.170 2.490 2.235 2.691 . 0 0 "[ . 1 . 2]" 1
581 2 21 GLN H 2 114 TRP HB3 . . 4.410 3.359 3.223 3.535 . 0 0 "[ . 1 . 2]" 1
582 2 21 GLN HA 2 21 GLN HG3 . . 3.450 2.194 2.118 2.295 . 0 0 "[ . 1 . 2]" 1
583 2 21 GLN HA 2 22 TYR H . . 3.460 2.560 2.502 2.587 . 0 0 "[ . 1 . 2]" 1
584 2 21 GLN HA 2 22 TYR HB2 . . 4.350 4.044 3.999 4.087 . 0 0 "[ . 1 . 2]" 1
585 2 21 GLN HA 2 53 TRP HB3 . . 4.620 4.472 4.299 4.703 0.083 7 0 "[ . 1 . 2]" 1
586 2 21 GLN HA 2 55 SER H . . 5.440 4.839 4.531 4.996 . 0 0 "[ . 1 . 2]" 1
587 2 21 GLN HA 2 55 SER HA . . 3.700 2.363 1.995 2.501 . 0 0 "[ . 1 . 2]" 1
588 2 21 GLN HA 2 55 SER HB3 . . 4.390 4.457 4.032 5.078 0.688 7 3 "[ . + * - . 2]" 1
589 2 21 GLN HA 2 56 VAL H . . 4.070 2.953 2.862 3.089 . 0 0 "[ . 1 . 2]" 1
590 2 21 GLN HA 2 56 VAL MG1 . . 4.740 4.003 3.798 4.236 . 0 0 "[ . 1 . 2]" 1
591 2 21 GLN HA 2 56 VAL MG2 . . 4.280 3.074 2.816 3.438 . 0 0 "[ . 1 . 2]" 1
592 2 21 GLN HB2 2 53 TRP HB3 . . 4.380 4.286 4.094 4.385 0.005 13 0 "[ . 1 . 2]" 1
593 2 21 GLN HB2 2 53 TRP HE3 . . 4.760 4.221 4.028 4.515 . 0 0 "[ . 1 . 2]" 1
594 2 21 GLN HB2 2 114 TRP H . . 4.470 3.096 2.861 3.279 . 0 0 "[ . 1 . 2]" 1
595 2 21 GLN HB2 2 114 TRP HB2 . . 4.140 3.646 3.490 3.696 . 0 0 "[ . 1 . 2]" 1
596 2 21 GLN HB2 2 114 TRP HB3 . . 4.070 1.976 1.943 1.996 . 0 0 "[ . 1 . 2]" 1
597 2 21 GLN HB3 2 21 GLN HE21 . . 4.670 3.980 1.925 4.376 . 0 0 "[ . 1 . 2]" 1
598 2 21 GLN HB3 2 21 GLN HE22 . . 4.790 4.574 3.550 4.759 . 0 0 "[ . 1 . 2]" 1
599 2 21 GLN HB3 2 22 TYR H . . 4.100 2.757 2.576 2.874 . 0 0 "[ . 1 . 2]" 1
600 2 21 GLN HB3 2 23 LEU MD1 . . 4.350 3.639 3.434 3.864 . 0 0 "[ . 1 . 2]" 1
601 2 21 GLN HB3 2 53 TRP HB2 . . 4.270 3.255 3.068 3.476 . 0 0 "[ . 1 . 2]" 1
602 2 21 GLN HB3 2 53 TRP HB3 . . 4.100 2.710 2.518 2.841 . 0 0 "[ . 1 . 2]" 1
603 2 21 GLN HB3 2 114 TRP H . . 5.110 2.775 2.559 3.162 . 0 0 "[ . 1 . 2]" 1
604 2 21 GLN HB3 2 114 TRP HB3 . . 4.500 2.202 1.994 2.582 . 0 0 "[ . 1 . 2]" 1
605 2 21 GLN HE21 2 53 TRP H . . 4.520 3.804 3.485 4.414 . 0 0 "[ . 1 . 2]" 1
606 2 21 GLN HE21 2 53 TRP HB2 . . 4.400 2.264 1.949 2.918 . 0 0 "[ . 1 . 2]" 1
607 2 21 GLN HE21 2 53 TRP HB3 . . 4.550 3.508 2.753 4.098 . 0 0 "[ . 1 . 2]" 1
608 2 21 GLN HE22 2 21 GLN HG2 . . 3.960 3.510 3.460 3.754 . 0 0 "[ . 1 . 2]" 1
609 2 21 GLN HE22 2 50 LYS HG2 . . 4.480 4.240 3.802 4.687 0.207 15 0 "[ . 1 . 2]" 1
610 2 21 GLN HE22 2 50 LYS HG3 . . 4.560 3.065 2.746 3.967 . 0 0 "[ . 1 . 2]" 1
611 2 21 GLN HE22 2 53 TRP H . . 4.560 4.314 4.081 4.570 0.010 13 0 "[ . 1 . 2]" 1
612 2 21 GLN HE22 2 53 TRP HB2 . . 4.430 2.897 2.745 3.184 . 0 0 "[ . 1 . 2]" 1
613 2 21 GLN HE22 2 53 TRP HB3 . . 4.620 4.482 4.177 4.632 0.012 7 0 "[ . 1 . 2]" 1
614 2 21 GLN HG2 2 22 TYR H . . 4.120 2.434 2.304 2.643 . 0 0 "[ . 1 . 2]" 1
615 2 21 GLN HG2 2 53 TRP H . . 4.780 4.720 4.579 4.815 0.035 13 0 "[ . 1 . 2]" 1
616 2 21 GLN HG2 2 53 TRP HB2 . . 4.160 2.517 2.301 3.013 . 0 0 "[ . 1 . 2]" 1
617 2 21 GLN HG2 2 53 TRP HB3 . . 4.110 2.558 2.300 3.168 . 0 0 "[ . 1 . 2]" 1
618 2 21 GLN HG3 2 55 SER HA . . 3.900 2.758 2.515 2.875 . 0 0 "[ . 1 . 2]" 1
619 2 21 GLN HG3 2 56 VAL H . . 4.450 4.475 4.428 4.524 0.074 7 0 "[ . 1 . 2]" 1
620 2 21 GLN HG3 2 114 TRP HB3 . . 4.320 4.368 4.322 4.428 0.108 3 0 "[ . 1 . 2]" 1
621 2 22 TYR H 2 22 TYR HB3 . . 3.710 2.559 2.519 2.619 . 0 0 "[ . 1 . 2]" 1
622 2 22 TYR H 2 22 TYR QD . . 4.460 4.207 4.190 4.218 . 0 0 "[ . 1 . 2]" 1
623 2 22 TYR H 2 53 TRP HB2 . . 5.500 3.892 3.716 4.261 . 0 0 "[ . 1 . 2]" 1
624 2 22 TYR H 2 53 TRP HB3 . . 4.650 2.632 2.454 2.941 . 0 0 "[ . 1 . 2]" 1
625 2 22 TYR H 2 55 SER HA . . 4.420 3.948 3.569 4.146 . 0 0 "[ . 1 . 2]" 1
626 2 22 TYR H 2 56 VAL H . . 5.110 4.669 4.384 4.965 . 0 0 "[ . 1 . 2]" 1
627 2 22 TYR H 2 56 VAL MG1 . . 4.060 3.770 3.529 4.011 . 0 0 "[ . 1 . 2]" 1
628 2 22 TYR H 2 56 VAL MG2 . . 4.350 3.651 3.357 3.899 . 0 0 "[ . 1 . 2]" 1
629 2 22 TYR HA 2 22 TYR QD . . 3.440 1.957 1.919 1.980 . 0 0 "[ . 1 . 2]" 1
630 2 22 TYR HA 2 23 LEU MD1 . . 4.070 4.088 4.036 4.175 0.105 7 0 "[ . 1 . 2]" 1
631 2 22 TYR HA 2 24 GLY H . . 4.850 3.625 3.495 3.880 . 0 0 "[ . 1 . 2]" 1
632 2 22 TYR HA 2 56 VAL MG1 . . 4.540 4.265 4.049 4.541 0.001 18 0 "[ . 1 . 2]" 1
633 2 22 TYR HA 2 56 VAL MG2 . . 4.730 3.396 3.274 3.513 . 0 0 "[ . 1 . 2]" 1
634 2 22 TYR HA 2 113 PHE HA . . 3.980 2.750 2.577 2.936 . 0 0 "[ . 1 . 2]" 1
635 2 22 TYR HA 2 113 PHE QD . . 4.690 3.199 3.095 3.258 . 0 0 "[ . 1 . 2]" 1
636 2 22 TYR HA 2 114 TRP H . . 4.760 4.059 3.930 4.268 . 0 0 "[ . 1 . 2]" 1
637 2 22 TYR HB2 2 56 VAL H . . 5.300 4.399 4.118 4.689 . 0 0 "[ . 1 . 2]" 1
638 2 22 TYR HB2 2 56 VAL MG1 . . 3.400 2.091 1.919 2.287 . 0 0 "[ . 1 . 2]" 1
639 2 22 TYR HB2 2 56 VAL MG2 . . 3.360 2.249 2.045 2.479 . 0 0 "[ . 1 . 2]" 1
640 2 22 TYR HB3 2 23 LEU H . . 4.660 4.383 4.285 4.476 . 0 0 "[ . 1 . 2]" 1
641 2 22 TYR HB3 2 54 PRO HG2 . . 4.040 2.584 2.495 2.641 . 0 0 "[ . 1 . 2]" 1
642 2 22 TYR HB3 2 54 PRO HG3 . . 4.000 4.038 4.020 4.081 0.081 7 0 "[ . 1 . 2]" 1
643 2 22 TYR QD 2 23 LEU H . . 3.840 2.375 2.080 2.702 . 0 0 "[ . 1 . 2]" 1
644 2 22 TYR QD 2 24 GLY H . . 3.800 2.144 1.973 2.382 . 0 0 "[ . 1 . 2]" 1
645 2 22 TYR QD 2 24 GLY HA2 . . 4.910 3.591 3.528 3.736 . 0 0 "[ . 1 . 2]" 1
646 2 22 TYR QD 2 54 PRO HG2 . . 4.030 2.983 2.829 3.043 . 0 0 "[ . 1 . 2]" 1
647 2 22 TYR QD 2 54 PRO HG3 . . 4.470 4.453 4.330 4.491 0.021 19 0 "[ . 1 . 2]" 1
648 2 22 TYR QD 2 56 VAL MG1 . . 3.510 2.489 2.287 2.726 . 0 0 "[ . 1 . 2]" 1
649 2 22 TYR QD 2 56 VAL MG2 . . 4.130 3.650 3.500 3.789 . 0 0 "[ . 1 . 2]" 1
650 2 22 TYR QD 2 77 LEU MD1 . . 3.630 3.370 3.052 3.580 . 0 0 "[ . 1 . 2]" 1
651 2 22 TYR QD 2 112 VAL H . . 4.750 4.178 3.614 4.465 . 0 0 "[ . 1 . 2]" 1
652 2 22 TYR QD 2 113 PHE HA . . 4.530 3.756 3.561 3.945 . 0 0 "[ . 1 . 2]" 1
653 2 22 TYR QD 2 113 PHE QD . . 4.180 4.068 3.975 4.136 . 0 0 "[ . 1 . 2]" 1
654 2 22 TYR QD 2 113 PHE QE . . 3.930 3.942 3.842 3.970 0.040 13 0 "[ . 1 . 2]" 1
655 2 22 TYR QE 2 23 LEU H . . 5.050 4.413 4.088 4.741 . 0 0 "[ . 1 . 2]" 1
656 2 22 TYR QE 2 24 GLY H . . 4.040 2.741 2.551 2.919 . 0 0 "[ . 1 . 2]" 1
657 2 22 TYR QE 2 24 GLY HA2 . . 4.020 3.074 2.873 3.249 . 0 0 "[ . 1 . 2]" 1
658 2 22 TYR QE 2 24 GLY HA3 . . 4.490 4.338 4.195 4.458 . 0 0 "[ . 1 . 2]" 1
659 2 22 TYR QE 2 25 MET H . . 5.090 4.276 4.136 4.468 . 0 0 "[ . 1 . 2]" 1
660 2 22 TYR QE 2 25 MET HB2 . . 4.410 4.109 3.940 4.326 . 0 0 "[ . 1 . 2]" 1
661 2 22 TYR QE 2 77 LEU HB2 . . 4.400 4.440 4.175 4.708 0.308 4 0 "[ . 1 . 2]" 1
662 2 22 TYR QE 2 77 LEU MD1 . . 3.900 3.821 3.511 3.904 0.004 18 0 "[ . 1 . 2]" 1
663 2 22 TYR QE 2 78 VAL MG2 . . 3.910 3.391 3.007 3.659 . 0 0 "[ . 1 . 2]" 1
664 2 22 TYR QE 2 111 HIS HB3 . . 3.510 2.912 2.630 3.311 . 0 0 "[ . 1 . 2]" 1
665 2 22 TYR QE 2 111 HIS HE1 . . 4.660 4.517 3.983 4.661 0.001 3 0 "[ . 1 . 2]" 1
666 2 22 TYR QE 2 112 VAL H . . 3.730 3.540 3.198 3.735 0.005 8 0 "[ . 1 . 2]" 1
667 2 22 TYR QE 2 113 PHE QE . . 4.080 4.086 4.005 4.106 0.026 15 0 "[ . 1 . 2]" 1
668 2 22 TYR QE 2 113 PHE HZ . . 4.260 4.113 3.997 4.210 . 0 0 "[ . 1 . 2]" 1
669 2 22 TYR HH 2 111 HIS HE1 . . 4.300 3.073 2.723 3.502 . 0 0 "[ . 1 . 2]" 1
670 2 23 LEU H 2 23 LEU HB3 . . 4.160 3.333 3.289 3.403 . 0 0 "[ . 1 . 2]" 1
671 2 23 LEU H 2 23 LEU MD1 . . 3.430 2.633 2.467 2.822 . 0 0 "[ . 1 . 2]" 1
672 2 23 LEU H 2 23 LEU MD2 . . 4.470 4.339 4.264 4.395 . 0 0 "[ . 1 . 2]" 1
673 2 23 LEU H 2 23 LEU HG . . 4.890 3.820 3.598 3.962 . 0 0 "[ . 1 . 2]" 1
674 2 23 LEU H 2 24 GLY H . . 3.680 2.515 2.365 2.675 . 0 0 "[ . 1 . 2]" 1
675 2 23 LEU H 2 112 VAL HB . . 4.770 3.709 3.590 3.800 . 0 0 "[ . 1 . 2]" 1
676 2 23 LEU H 2 113 PHE HA . . 3.960 2.352 2.126 2.560 . 0 0 "[ . 1 . 2]" 1
677 2 23 LEU H 2 114 TRP H . . 5.000 4.228 3.912 4.491 . 0 0 "[ . 1 . 2]" 1
678 2 23 LEU HA 2 23 LEU MD1 . . 3.420 3.124 3.075 3.200 . 0 0 "[ . 1 . 2]" 1
679 2 23 LEU HA 2 23 LEU MD2 . . 3.750 3.429 3.355 3.463 . 0 0 "[ . 1 . 2]" 1
680 2 23 LEU HA 2 23 LEU HG . . 3.320 2.109 2.096 2.137 . 0 0 "[ . 1 . 2]" 1
681 2 23 LEU HA 2 44 LEU MD1 . . 4.740 4.175 3.869 4.458 . 0 0 "[ . 1 . 2]" 1
682 2 23 LEU HA 2 53 TRP HD1 . . 4.040 2.607 2.460 2.905 . 0 0 "[ . 1 . 2]" 1
683 2 23 LEU HA 2 53 TRP HE1 . . 4.970 3.510 3.298 3.846 . 0 0 "[ . 1 . 2]" 1
684 2 23 LEU HA 2 112 VAL HB . . 4.890 4.657 4.467 4.815 . 0 0 "[ . 1 . 2]" 1
685 2 23 LEU HB2 2 23 LEU MD1 . . 3.670 2.056 1.977 2.175 . 0 0 "[ . 1 . 2]" 1
686 2 23 LEU HB2 2 23 LEU MD2 . . 3.510 2.788 2.737 2.828 . 0 0 "[ . 1 . 2]" 1
687 2 23 LEU HB2 2 24 GLY H . . 4.690 3.123 2.954 3.271 . 0 0 "[ . 1 . 2]" 1
688 2 23 LEU HB2 2 44 LEU MD1 . . 4.560 2.975 2.684 3.253 . 0 0 "[ . 1 . 2]" 1
689 2 23 LEU HB2 2 112 VAL HB . . 4.120 2.015 1.981 2.141 . 0 0 "[ . 1 . 2]" 1
690 2 23 LEU HB3 2 23 LEU MD2 . . 3.000 2.074 1.936 2.167 . 0 0 "[ . 1 . 2]" 1
691 2 23 LEU HB3 2 24 GLY H . . 4.810 3.357 3.139 3.487 . 0 0 "[ . 1 . 2]" 1
692 2 23 LEU HB3 2 44 LEU MD1 . . 3.090 2.043 1.965 2.250 . 0 0 "[ . 1 . 2]" 1
693 2 23 LEU HB3 2 53 TRP HE1 . . 4.990 4.496 4.277 4.948 . 0 0 "[ . 1 . 2]" 1
694 2 23 LEU HB3 2 112 VAL HB . . 4.420 2.308 2.020 2.633 . 0 0 "[ . 1 . 2]" 1
695 2 23 LEU MD1 2 24 GLY H . . 5.020 4.512 4.396 4.603 . 0 0 "[ . 1 . 2]" 1
696 2 23 LEU MD1 2 53 TRP HB3 . . 3.970 3.893 3.711 3.983 0.013 3 0 "[ . 1 . 2]" 1
697 2 23 LEU MD1 2 53 TRP HE3 . . 3.960 3.567 3.262 3.814 . 0 0 "[ . 1 . 2]" 1
698 2 23 LEU MD1 2 53 TRP HZ3 . . 4.400 3.825 3.594 4.214 . 0 0 "[ . 1 . 2]" 1
699 2 23 LEU MD1 2 96 THR MG . . 4.030 2.989 2.547 3.411 . 0 0 "[ . 1 . 2]" 1
700 2 23 LEU MD1 2 112 VAL MG1 . . 3.230 1.940 1.860 2.049 . 0 0 "[ . 1 . 2]" 1
701 2 23 LEU MD1 2 113 PHE HA . . 3.590 2.412 2.168 2.633 . 0 0 "[ . 1 . 2]" 1
702 2 23 LEU MD1 2 114 TRP H . . 3.600 3.110 2.893 3.337 . 0 0 "[ . 1 . 2]" 1
703 2 23 LEU MD1 2 114 TRP HB2 . . 3.440 2.079 1.948 2.209 . 0 0 "[ . 1 . 2]" 1
704 2 23 LEU MD1 2 114 TRP HB3 . . 3.540 3.378 3.156 3.537 . 0 0 "[ . 1 . 2]" 1
705 2 23 LEU MD1 2 114 TRP HE3 . . 3.760 2.591 2.357 2.797 . 0 0 "[ . 1 . 2]" 1
706 2 23 LEU MD2 2 24 GLY H . . 5.240 4.908 4.746 5.030 . 0 0 "[ . 1 . 2]" 1
707 2 23 LEU MD2 2 41 ILE HA . . 4.770 2.888 2.645 3.059 . 0 0 "[ . 1 . 2]" 1
708 2 23 LEU MD2 2 41 ILE MG . . 4.100 2.980 2.767 3.148 . 0 0 "[ . 1 . 2]" 1
709 2 23 LEU MD2 2 44 LEU H . . 5.050 4.091 3.913 4.287 . 0 0 "[ . 1 . 2]" 1
710 2 23 LEU MD2 2 44 LEU HA . . 4.540 4.015 3.861 4.188 . 0 0 "[ . 1 . 2]" 1
711 2 23 LEU MD2 2 44 LEU HB2 . . 3.860 2.217 1.934 2.581 . 0 0 "[ . 1 . 2]" 1
712 2 23 LEU MD2 2 44 LEU HB3 . . 3.370 2.153 2.011 2.343 . 0 0 "[ . 1 . 2]" 1
713 2 23 LEU MD2 2 44 LEU MD1 . . 3.780 2.825 2.457 3.248 . 0 0 "[ . 1 . 2]" 1
714 2 23 LEU MD2 2 44 LEU MD2 . . 3.760 3.765 3.698 3.807 0.047 7 0 "[ . 1 . 2]" 1
715 2 23 LEU MD2 2 45 MET H . . 4.250 2.812 2.640 3.144 . 0 0 "[ . 1 . 2]" 1
716 2 23 LEU MD2 2 45 MET HA . . 3.400 2.490 2.312 2.787 . 0 0 "[ . 1 . 2]" 1
717 2 23 LEU MD2 2 45 MET HB2 . . 4.550 4.115 3.934 4.287 . 0 0 "[ . 1 . 2]" 1
718 2 23 LEU MD2 2 45 MET HB3 . . 4.730 4.456 4.296 4.620 . 0 0 "[ . 1 . 2]" 1
719 2 23 LEU MD2 2 45 MET ME . . 3.570 2.242 1.908 2.750 . 0 0 "[ . 1 . 2]" 1
720 2 23 LEU MD2 2 45 MET HG2 . . 3.550 2.366 2.273 2.507 . 0 0 "[ . 1 . 2]" 1
721 2 23 LEU MD2 2 45 MET HG3 . . 3.730 3.740 3.685 3.766 0.036 3 0 "[ . 1 . 2]" 1
722 2 23 LEU MD2 2 53 TRP HD1 . . 4.670 4.672 4.587 4.715 0.045 7 0 "[ . 1 . 2]" 1
723 2 23 LEU MD2 2 53 TRP HE1 . . 4.430 3.276 3.078 3.455 . 0 0 "[ . 1 . 2]" 1
724 2 23 LEU MD2 2 53 TRP HH2 . . 4.200 3.772 3.407 4.039 . 0 0 "[ . 1 . 2]" 1
725 2 23 LEU MD2 2 53 TRP HZ2 . . 3.710 2.853 2.565 3.231 . 0 0 "[ . 1 . 2]" 1
726 2 23 LEU MD2 2 96 THR MG . . 3.910 3.490 3.055 3.862 . 0 0 "[ . 1 . 2]" 1
727 2 23 LEU MD2 2 112 VAL HB . . 4.110 2.867 2.573 3.145 . 0 0 "[ . 1 . 2]" 1
728 2 23 LEU MD2 2 112 VAL MG1 . . 3.170 2.159 1.887 2.430 . 0 0 "[ . 1 . 2]" 1
729 2 23 LEU HG 2 53 TRP HD1 . . 4.490 3.733 3.612 3.933 . 0 0 "[ . 1 . 2]" 1
730 2 23 LEU HG 2 53 TRP HE1 . . 4.600 3.223 3.054 3.648 . 0 0 "[ . 1 . 2]" 1
731 2 23 LEU HG 2 53 TRP HZ2 . . 4.820 3.633 3.462 4.044 . 0 0 "[ . 1 . 2]" 1
732 2 24 GLY H 2 25 MET H . . 4.460 4.447 4.399 4.483 0.023 13 0 "[ . 1 . 2]" 1
733 2 24 GLY H 2 44 LEU MD1 . . 4.450 3.025 2.674 3.434 . 0 0 "[ . 1 . 2]" 1
734 2 24 GLY H 2 44 LEU MD2 . . 5.320 3.819 3.601 4.017 . 0 0 "[ . 1 . 2]" 1
735 2 24 GLY H 2 112 VAL H . . 4.630 3.381 2.938 3.690 . 0 0 "[ . 1 . 2]" 1
736 2 24 GLY H 2 112 VAL HB . . 4.830 3.782 3.380 4.166 . 0 0 "[ . 1 . 2]" 1
737 2 24 GLY HA2 2 25 MET H . . 3.430 2.684 2.591 2.748 . 0 0 "[ . 1 . 2]" 1
738 2 24 GLY HA2 2 44 LEU MD1 . . 4.760 3.908 3.473 4.252 . 0 0 "[ . 1 . 2]" 1
739 2 24 GLY HA2 2 44 LEU MD2 . . 4.150 3.598 3.447 3.767 . 0 0 "[ . 1 . 2]" 1
740 2 24 GLY HA3 2 25 MET H . . 3.300 2.558 2.499 2.648 . 0 0 "[ . 1 . 2]" 1
741 2 24 GLY HA3 2 44 LEU MD1 . . 4.640 3.077 2.588 3.481 . 0 0 "[ . 1 . 2]" 1
742 2 24 GLY HA3 2 44 LEU MD2 . . 4.320 2.200 1.997 2.365 . 0 0 "[ . 1 . 2]" 1
743 2 25 MET H 2 25 MET HB2 . . 3.850 2.722 2.355 2.825 . 0 0 "[ . 1 . 2]" 1
744 2 25 MET H 2 25 MET HB3 . . 3.720 2.514 2.424 2.725 . 0 0 "[ . 1 . 2]" 1
745 2 25 MET H 2 25 MET ME . . 4.070 4.028 3.885 4.079 0.009 1 0 "[ . 1 . 2]" 1
746 2 25 MET H 2 25 MET HG2 . . 4.630 4.378 4.301 4.417 . 0 0 "[ . 1 . 2]" 1
747 2 25 MET H 2 25 MET HG3 . . 4.400 4.672 4.599 4.717 0.317 8 0 "[ . 1 . 2]" 1
748 2 25 MET H 2 26 LEU H . . 4.570 4.486 4.434 4.583 0.013 5 0 "[ . 1 . 2]" 1
749 2 25 MET H 2 44 LEU MD1 . . 4.450 3.798 3.437 4.224 . 0 0 "[ . 1 . 2]" 1
750 2 25 MET H 2 44 LEU MD2 . . 4.270 3.060 2.840 3.249 . 0 0 "[ . 1 . 2]" 1
751 2 25 MET HA 2 25 MET ME . . 4.090 3.738 3.617 3.841 . 0 0 "[ . 1 . 2]" 1
752 2 25 MET HA 2 25 MET HG2 . . 4.010 2.526 2.321 2.628 . 0 0 "[ . 1 . 2]" 1
753 2 25 MET HA 2 25 MET HG3 . . 4.180 3.078 2.989 3.607 . 0 0 "[ . 1 . 2]" 1
754 2 25 MET HA 2 26 LEU H . . 3.310 2.229 2.213 2.273 . 0 0 "[ . 1 . 2]" 1
755 2 25 MET HA 2 44 LEU MD1 . . 4.210 3.273 2.962 3.728 . 0 0 "[ . 1 . 2]" 1
756 2 25 MET HA 2 44 LEU MD2 . . 4.400 4.014 3.688 4.277 . 0 0 "[ . 1 . 2]" 1
757 2 25 MET HA 2 111 HIS HA . . 3.940 2.680 2.339 2.851 . 0 0 "[ . 1 . 2]" 1
758 2 25 MET HA 2 112 VAL H . . 4.450 3.924 3.703 4.212 . 0 0 "[ . 1 . 2]" 1
759 2 25 MET HB2 2 25 MET ME . . 3.920 3.603 3.168 3.711 . 0 0 "[ . 1 . 2]" 1
760 2 25 MET HB2 2 26 LEU H . . 4.440 4.350 4.268 4.393 . 0 0 "[ . 1 . 2]" 1
761 2 25 MET HB2 2 111 HIS HE1 . . 4.120 2.602 2.031 2.865 . 0 0 "[ . 1 . 2]" 1
762 2 25 MET HB3 2 25 MET ME . . 3.060 2.376 1.876 2.547 . 0 0 "[ . 1 . 2]" 1
763 2 25 MET HB3 2 26 LEU H . . 4.430 4.183 3.843 4.289 . 0 0 "[ . 1 . 2]" 1
764 2 25 MET HB3 2 111 HIS HE1 . . 4.260 4.057 3.635 4.273 0.013 12 0 "[ . 1 . 2]" 1
765 2 25 MET ME 2 26 LEU H . . 4.260 3.337 3.168 3.499 . 0 0 "[ . 1 . 2]" 1
766 2 25 MET ME 2 26 LEU MD2 . . 3.850 3.814 3.728 3.868 0.018 20 0 "[ . 1 . 2]" 1
767 2 25 MET ME 2 27 PRO HA . . 4.550 3.164 2.774 3.514 . 0 0 "[ . 1 . 2]" 1
768 2 25 MET ME 2 27 PRO HD2 . . 4.140 4.062 3.999 4.180 0.040 5 0 "[ . 1 . 2]" 1
769 2 25 MET ME 2 27 PRO HD3 . . 3.730 2.769 2.660 2.853 . 0 0 "[ . 1 . 2]" 1
770 2 25 MET ME 2 110 CYS H . . 4.710 4.145 3.828 4.395 . 0 0 "[ . 1 . 2]" 1
771 2 25 MET HG2 2 26 LEU H . . 3.980 2.514 2.276 3.184 . 0 0 "[ . 1 . 2]" 1
772 2 25 MET HG2 2 110 CYS H . . 4.660 3.147 2.804 3.424 . 0 0 "[ . 1 . 2]" 1
773 2 25 MET HG2 2 111 HIS HE1 . . 4.310 3.925 2.580 4.066 . 0 0 "[ . 1 . 2]" 1
774 2 25 MET HG3 2 26 LEU H . . 4.260 3.933 3.656 4.332 0.072 5 0 "[ . 1 . 2]" 1
775 2 25 MET HG3 2 111 HIS HE1 . . 4.050 2.333 2.122 2.461 . 0 0 "[ . 1 . 2]" 1
776 2 26 LEU H 2 26 LEU HB2 . . 3.800 2.475 2.415 2.581 . 0 0 "[ . 1 . 2]" 1
777 2 26 LEU H 2 26 LEU HB3 . . 3.860 3.154 3.085 3.234 . 0 0 "[ . 1 . 2]" 1
778 2 26 LEU H 2 26 LEU MD1 . . 4.570 4.458 4.420 4.501 . 0 0 "[ . 1 . 2]" 1
779 2 26 LEU H 2 26 LEU MD2 . . 4.430 3.608 3.488 3.713 . 0 0 "[ . 1 . 2]" 1
780 2 26 LEU H 2 26 LEU HG . . 4.770 4.671 4.610 4.765 . 0 0 "[ . 1 . 2]" 1
781 2 26 LEU H 2 27 PRO HD2 . . 5.070 5.025 5.008 5.033 . 0 0 "[ . 1 . 2]" 1
782 2 26 LEU H 2 27 PRO HD3 . . 5.100 4.531 4.485 4.553 . 0 0 "[ . 1 . 2]" 1
783 2 26 LEU H 2 44 LEU MD1 . . 4.160 3.274 2.914 3.526 . 0 0 "[ . 1 . 2]" 1
784 2 26 LEU H 2 110 CYS H . . 4.080 3.111 2.849 3.414 . 0 0 "[ . 1 . 2]" 1
785 2 26 LEU H 2 110 CYS HB2 . . 5.000 4.718 4.360 5.006 0.006 7 0 "[ . 1 . 2]" 1
786 2 26 LEU H 2 110 CYS HB3 . . 4.660 3.156 2.728 3.512 . 0 0 "[ . 1 . 2]" 1
787 2 26 LEU H 2 111 HIS HA . . 4.480 3.584 3.088 3.883 . 0 0 "[ . 1 . 2]" 1
788 2 26 LEU H 2 112 VAL H . . 5.260 4.688 4.444 5.270 0.010 7 0 "[ . 1 . 2]" 1
789 2 26 LEU H 2 112 VAL MG2 . . 4.160 4.118 3.880 4.183 0.023 11 0 "[ . 1 . 2]" 1
790 2 26 LEU HB2 2 26 LEU MD2 . . 3.220 2.520 2.499 2.546 . 0 0 "[ . 1 . 2]" 1
791 2 26 LEU HB2 2 27 PRO HD2 . . 4.540 4.395 4.373 4.450 . 0 0 "[ . 1 . 2]" 1
792 2 26 LEU HB2 2 27 PRO HD3 . . 4.560 4.638 4.615 4.667 0.107 20 0 "[ . 1 . 2]" 1
793 2 26 LEU HB2 2 40 ALA HA . . 4.730 3.376 3.258 3.500 . 0 0 "[ . 1 . 2]" 1
794 2 26 LEU HB2 2 40 ALA MB . . 3.810 2.173 1.971 2.436 . 0 0 "[ . 1 . 2]" 1
795 2 26 LEU HB2 2 44 LEU MD1 . . 4.020 2.247 1.992 2.514 . 0 0 "[ . 1 . 2]" 1
796 2 26 LEU HB2 2 44 LEU MD2 . . 3.970 3.729 3.316 3.982 0.012 6 0 "[ . 1 . 2]" 1
797 2 26 LEU HB2 2 110 CYS HB3 . . 4.660 3.502 3.135 3.932 . 0 0 "[ . 1 . 2]" 1
798 2 26 LEU HB3 2 26 LEU MD1 . . 3.160 2.143 2.071 2.192 . 0 0 "[ . 1 . 2]" 1
799 2 26 LEU HB3 2 27 PRO HD2 . . 3.980 3.549 3.482 3.630 . 0 0 "[ . 1 . 2]" 1
800 2 26 LEU HB3 2 27 PRO HD3 . . 4.230 4.277 4.234 4.329 0.099 18 0 "[ . 1 . 2]" 1
801 2 26 LEU HB3 2 40 ALA HA . . 4.810 2.797 2.632 3.016 . 0 0 "[ . 1 . 2]" 1
802 2 26 LEU HB3 2 40 ALA MB . . 3.940 2.044 1.906 2.218 . 0 0 "[ . 1 . 2]" 1
803 2 26 LEU HB3 2 44 LEU MD1 . . 4.430 3.755 3.353 4.099 . 0 0 "[ . 1 . 2]" 1
804 2 26 LEU HB3 2 112 VAL MG2 . . 4.390 4.252 4.098 4.406 0.016 7 0 "[ . 1 . 2]" 1
805 2 26 LEU MD1 2 27 PRO HD2 . . 3.650 1.809 1.788 1.885 . 0 0 "[ . 1 . 2]" 1
806 2 26 LEU MD1 2 27 PRO HD3 . . 3.810 3.068 3.009 3.181 . 0 0 "[ . 1 . 2]" 1
807 2 26 LEU MD1 2 27 PRO HG2 . . 4.410 3.374 3.337 3.501 . 0 0 "[ . 1 . 2]" 1
808 2 26 LEU MD1 2 40 ALA H . . 4.520 4.131 3.975 4.511 . 0 0 "[ . 1 . 2]" 1
809 2 26 LEU MD1 2 40 ALA HA . . 3.220 2.080 1.967 2.321 . 0 0 "[ . 1 . 2]" 1
810 2 26 LEU MD1 2 40 ALA MB . . 3.120 3.010 2.873 3.136 0.016 10 0 "[ . 1 . 2]" 1
811 2 26 LEU MD1 2 43 ASN H . . 4.240 3.850 3.734 3.988 . 0 0 "[ . 1 . 2]" 1
812 2 26 LEU MD1 2 43 ASN HB2 . . 3.310 2.104 1.969 2.226 . 0 0 "[ . 1 . 2]" 1
813 2 26 LEU MD1 2 43 ASN HB3 . . 3.720 2.460 2.290 2.581 . 0 0 "[ . 1 . 2]" 1
814 2 26 LEU MD1 2 43 ASN HD21 . . 4.340 2.918 1.848 3.582 . 0 0 "[ . 1 . 2]" 1
815 2 26 LEU MD1 2 43 ASN HD22 . . 4.010 3.284 2.768 3.630 . 0 0 "[ . 1 . 2]" 1
816 2 26 LEU MD1 2 44 LEU H . . 4.800 3.839 3.609 3.991 . 0 0 "[ . 1 . 2]" 1
817 2 26 LEU MD2 2 27 PRO HD2 . . 3.930 2.473 2.300 2.648 . 0 0 "[ . 1 . 2]" 1
818 2 26 LEU MD2 2 27 PRO HD3 . . 3.770 2.592 2.452 2.715 . 0 0 "[ . 1 . 2]" 1
819 2 26 LEU MD2 2 43 ASN HB2 . . 3.480 3.468 3.379 3.495 0.015 6 0 "[ . 1 . 2]" 1
820 2 26 LEU MD2 2 43 ASN HB3 . . 3.270 2.114 1.998 2.206 . 0 0 "[ . 1 . 2]" 1
821 2 26 LEU MD2 2 43 ASN HD21 . . 3.920 2.966 2.245 3.930 0.010 20 0 "[ . 1 . 2]" 1
822 2 26 LEU MD2 2 44 LEU H . . 3.750 2.964 2.807 3.175 . 0 0 "[ . 1 . 2]" 1
823 2 26 LEU MD2 2 44 LEU HA . . 3.240 3.133 2.848 3.254 0.014 7 0 "[ . 1 . 2]" 1
824 2 26 LEU MD2 2 44 LEU HG . . 2.800 1.956 1.848 2.146 . 0 0 "[ . 1 . 2]" 1
825 2 26 LEU HG 2 27 PRO HD2 . . 4.340 4.094 4.030 4.202 . 0 0 "[ . 1 . 2]" 1
826 2 26 LEU HG 2 27 PRO HD3 . . 5.500 4.929 4.890 5.006 . 0 0 "[ . 1 . 2]" 1
827 2 26 LEU HG 2 43 ASN H . . 4.680 3.944 3.764 4.055 . 0 0 "[ . 1 . 2]" 1
828 2 26 LEU HG 2 43 ASN HB2 . . 4.210 2.627 2.426 2.875 . 0 0 "[ . 1 . 2]" 1
829 2 26 LEU HG 2 43 ASN HB3 . . 4.020 2.174 2.009 2.387 . 0 0 "[ . 1 . 2]" 1
830 2 27 PRO HA 2 28 VAL H . . 3.290 2.228 2.158 2.341 . 0 0 "[ . 1 . 2]" 1
831 2 27 PRO HA 2 28 VAL MG2 . . 4.170 3.719 3.597 3.808 . 0 0 "[ . 1 . 2]" 1
832 2 27 PRO HA 2 110 CYS H . . 4.260 3.921 3.452 4.232 . 0 0 "[ . 1 . 2]" 1
833 2 27 PRO HB2 2 28 VAL H . . 3.870 3.333 2.957 3.658 . 0 0 "[ . 1 . 2]" 1
834 2 27 PRO HB3 2 28 VAL H . . 4.030 3.757 3.528 3.975 . 0 0 "[ . 1 . 2]" 1
835 2 28 VAL H 2 28 VAL MG1 . . 3.940 2.857 2.679 3.081 . 0 0 "[ . 1 . 2]" 1
836 2 28 VAL H 2 28 VAL MG2 . . 3.340 2.143 1.954 2.440 . 0 0 "[ . 1 . 2]" 1
837 2 28 VAL H 2 29 ASP H . . 5.110 4.343 4.223 4.441 . 0 0 "[ . 1 . 2]" 1
838 2 28 VAL H 2 108 PHE H . . 5.030 4.778 4.196 5.040 0.010 7 0 "[ . 1 . 2]" 1
839 2 28 VAL H 2 108 PHE HB2 . . 4.690 4.230 3.677 4.706 0.016 14 0 "[ . 1 . 2]" 1
840 2 28 VAL H 2 109 GLU HA . . 4.110 3.948 3.583 4.114 0.004 9 0 "[ . 1 . 2]" 1
841 2 28 VAL H 2 110 CYS H . . 4.860 4.614 4.272 4.882 0.022 13 0 "[ . 1 . 2]" 1
842 2 28 VAL HB 2 29 ASP H . . 3.640 2.092 1.957 2.478 . 0 0 "[ . 1 . 2]" 1
843 2 28 VAL HB 2 30 ARG H . . 3.850 3.514 3.179 3.867 0.017 19 0 "[ . 1 . 2]" 1
844 2 28 VAL HB 2 36 THR MG . . 3.170 1.953 1.823 2.107 . 0 0 "[ . 1 . 2]" 1
845 2 28 VAL MG1 2 29 ASP H . . 3.830 3.702 3.631 3.843 0.013 12 0 "[ . 1 . 2]" 1
846 2 28 VAL MG1 2 36 THR HA . . 4.370 4.283 4.042 4.382 0.012 2 0 "[ . 1 . 2]" 1
847 2 28 VAL MG1 2 36 THR MG . . 3.180 2.268 1.998 2.587 . 0 0 "[ . 1 . 2]" 1
848 2 28 VAL MG1 2 40 ALA MB . . 3.100 2.910 2.656 3.106 0.006 14 0 "[ . 1 . 2]" 1
849 2 28 VAL MG1 2 110 CYS H . . 4.040 3.200 2.921 3.456 . 0 0 "[ . 1 . 2]" 1
850 2 28 VAL MG1 2 110 CYS HA . . 4.370 3.995 3.807 4.219 . 0 0 "[ . 1 . 2]" 1
851 2 28 VAL MG1 2 110 CYS HB2 . . 3.470 2.012 1.770 2.366 . 0 0 "[ . 1 . 2]" 1
852 2 28 VAL MG1 2 110 CYS HB3 . . 3.490 2.542 2.052 2.953 . 0 0 "[ . 1 . 2]" 1
853 2 28 VAL MG2 2 29 ASP H . . 3.960 2.784 2.292 3.272 . 0 0 "[ . 1 . 2]" 1
854 2 28 VAL MG2 2 30 ARG H . . 3.710 3.685 3.451 3.720 0.010 20 0 "[ . 1 . 2]" 1
855 2 28 VAL MG2 2 36 THR MG . . 3.010 2.971 2.811 3.043 0.033 2 0 "[ . 1 . 2]" 1
856 2 28 VAL MG2 2 108 PHE H . . 4.660 3.740 3.082 4.175 . 0 0 "[ . 1 . 2]" 1
857 2 28 VAL MG2 2 108 PHE HA . . 4.570 4.136 3.759 4.468 . 0 0 "[ . 1 . 2]" 1
858 2 28 VAL MG2 2 108 PHE HB2 . . 3.460 2.112 1.829 2.502 . 0 0 "[ . 1 . 2]" 1
859 2 28 VAL MG2 2 108 PHE HB3 . . 3.410 2.699 2.090 3.054 . 0 0 "[ . 1 . 2]" 1
860 2 28 VAL MG2 2 108 PHE QD . . 4.160 3.024 2.648 3.445 . 0 0 "[ . 1 . 2]" 1
861 2 28 VAL MG2 2 109 GLU H . . 4.400 4.030 3.759 4.372 . 0 0 "[ . 1 . 2]" 1
862 2 28 VAL MG2 2 109 GLU HA . . 4.420 3.294 2.844 3.635 . 0 0 "[ . 1 . 2]" 1
863 2 28 VAL MG2 2 110 CYS H . . 4.310 3.753 3.216 4.156 . 0 0 "[ . 1 . 2]" 1
864 2 28 VAL MG2 2 110 CYS HA . . 4.760 4.421 4.021 4.717 . 0 0 "[ . 1 . 2]" 1
865 2 28 VAL MG2 2 110 CYS HB2 . . 3.800 3.121 2.257 3.517 . 0 0 "[ . 1 . 2]" 1
866 2 29 ASP H 2 29 ASP HB2 . . 3.590 2.547 2.219 3.012 . 0 0 "[ . 1 . 2]" 1
867 2 29 ASP H 2 30 ARG H . . 3.510 2.113 1.938 2.341 . 0 0 "[ . 1 . 2]" 1
868 2 29 ASP H 2 36 THR MG . . 3.810 2.595 2.105 2.998 . 0 0 "[ . 1 . 2]" 1
869 2 29 ASP HB2 2 30 ARG H . . 4.080 2.908 2.351 3.681 . 0 0 "[ . 1 . 2]" 1
870 2 30 ARG H 2 30 ARG HB2 . . 3.860 2.406 2.252 2.794 . 0 0 "[ . 1 . 2]" 1
871 2 30 ARG H 2 30 ARG HB3 . . 4.060 3.568 3.516 3.655 . 0 0 "[ . 1 . 2]" 1
872 2 30 ARG H 2 30 ARG QD . . 4.310 3.816 1.839 4.114 . 0 0 "[ . 1 . 2]" 1
873 2 30 ARG H 2 30 ARG HG3 . . 3.750 3.463 2.156 4.001 0.251 13 0 "[ . 1 . 2]" 1
874 2 30 ARG H 2 31 PRO HD2 . . 4.980 4.995 4.943 5.041 0.061 17 0 "[ . 1 . 2]" 1
875 2 30 ARG H 2 31 PRO HD3 . . 4.800 4.754 4.617 4.803 0.003 1 0 "[ . 1 . 2]" 1
876 2 30 ARG H 2 36 THR MG . . 3.650 2.711 2.185 3.127 . 0 0 "[ . 1 . 2]" 1
877 2 30 ARG HA 2 30 ARG QD . . 3.940 2.460 1.960 3.859 . 0 0 "[ . 1 . 2]" 1
878 2 30 ARG HA 2 30 ARG HG2 . . 3.720 2.813 2.468 3.704 . 0 0 "[ . 1 . 2]" 1
879 2 30 ARG HA 2 31 PRO HD2 . . 3.560 2.708 2.488 2.835 . 0 0 "[ . 1 . 2]" 1
880 2 30 ARG HA 2 31 PRO HD3 . . 3.550 2.017 1.949 2.084 . 0 0 "[ . 1 . 2]" 1
881 2 30 ARG HA 2 31 PRO HG3 . . 4.740 4.287 4.223 4.345 . 0 0 "[ . 1 . 2]" 1
882 2 30 ARG HA 2 32 VAL H . . 4.820 4.030 3.731 4.222 . 0 0 "[ . 1 . 2]" 1
883 2 30 ARG HA 2 108 PHE QE . . 4.840 3.353 2.668 4.134 . 0 0 "[ . 1 . 2]" 1
884 2 30 ARG HB2 2 31 PRO HD2 . . 4.100 3.794 3.132 4.069 . 0 0 "[ . 1 . 2]" 1
885 2 30 ARG HB2 2 32 VAL H . . 3.880 3.492 2.437 3.880 . 0 0 "[ . 1 . 2]" 1
886 2 30 ARG HB2 2 36 THR MG . . 4.340 3.072 2.366 3.429 . 0 0 "[ . 1 . 2]" 1
887 2 30 ARG HB3 2 31 PRO HD2 . . 4.080 2.262 2.025 2.693 . 0 0 "[ . 1 . 2]" 1
888 2 30 ARG HB3 2 31 PRO HD3 . . 4.160 3.282 2.902 3.634 . 0 0 "[ . 1 . 2]" 1
889 2 30 ARG HB3 2 32 VAL H . . 4.210 2.522 2.269 2.874 . 0 0 "[ . 1 . 2]" 1
890 2 30 ARG HB3 2 36 THR MG . . 4.580 4.382 3.930 4.590 0.010 20 0 "[ . 1 . 2]" 1
891 2 30 ARG QD 2 32 VAL H . . 4.500 4.018 3.746 4.383 . 0 0 "[ . 1 . 2]" 1
892 2 30 ARG HG2 2 31 PRO HD2 . . 4.380 4.413 4.174 4.620 0.240 2 0 "[ . 1 . 2]" 1
893 2 31 PRO HA 2 86 SER HB2 . . 4.670 4.321 3.934 4.671 0.001 17 0 "[ . 1 . 2]" 1
894 2 31 PRO HA 2 86 SER HG . . 4.000 3.056 2.617 3.955 . 0 0 "[ . 1 . 2]" 1
895 2 31 PRO HA 2 100 ILE MD . . 4.070 3.738 3.363 4.045 . 0 0 "[ . 1 . 2]" 1
896 2 31 PRO HA 2 100 ILE MG . . 3.340 2.132 1.989 2.510 . 0 0 "[ . 1 . 2]" 1
897 2 31 PRO HA 2 108 PHE HB3 . . 4.670 3.226 2.863 3.609 . 0 0 "[ . 1 . 2]" 1
898 2 31 PRO HA 2 108 PHE QD . . 4.410 3.373 3.042 3.662 . 0 0 "[ . 1 . 2]" 1
899 2 31 PRO HA 2 108 PHE QE . . 4.460 4.105 3.682 4.457 . 0 0 "[ . 1 . 2]" 1
900 2 31 PRO HB3 2 32 VAL MG1 . . 4.340 4.067 3.896 4.266 . 0 0 "[ . 1 . 2]" 1
901 2 31 PRO HB3 2 86 SER HB2 . . 4.570 4.040 3.620 4.322 . 0 0 "[ . 1 . 2]" 1
902 2 31 PRO HB3 2 86 SER HB3 . . 4.630 3.898 3.390 4.293 . 0 0 "[ . 1 . 2]" 1
903 2 31 PRO HB3 2 86 SER HG . . 4.450 3.383 2.824 4.045 . 0 0 "[ . 1 . 2]" 1
904 2 31 PRO HB3 2 108 PHE QE . . 4.650 2.987 2.528 3.335 . 0 0 "[ . 1 . 2]" 1
905 2 31 PRO HB3 2 108 PHE HZ . . 4.540 3.321 2.769 3.854 . 0 0 "[ . 1 . 2]" 1
906 2 31 PRO HD2 2 32 VAL H . . 3.980 2.317 2.255 2.456 . 0 0 "[ . 1 . 2]" 1
907 2 31 PRO HD2 2 108 PHE QE . . 4.480 4.201 3.709 4.485 0.005 17 0 "[ . 1 . 2]" 1
908 2 31 PRO HD3 2 32 VAL H . . 4.570 3.670 3.655 3.714 . 0 0 "[ . 1 . 2]" 1
909 2 31 PRO HD3 2 108 PHE QD . . 4.930 3.738 3.241 4.181 . 0 0 "[ . 1 . 2]" 1
910 2 31 PRO HD3 2 108 PHE QE . . 4.220 2.542 2.010 2.871 . 0 0 "[ . 1 . 2]" 1
911 2 31 PRO HD3 2 108 PHE HZ . . 4.670 3.896 3.265 4.524 . 0 0 "[ . 1 . 2]" 1
912 2 31 PRO HG2 2 32 VAL H . . 3.640 3.173 2.919 3.508 . 0 0 "[ . 1 . 2]" 1
913 2 31 PRO HG2 2 32 VAL MG1 . . 3.570 3.022 2.731 3.330 . 0 0 "[ . 1 . 2]" 1
914 2 31 PRO HG2 2 32 VAL MG2 . . 3.530 3.201 2.911 3.410 . 0 0 "[ . 1 . 2]" 1
915 2 31 PRO HG2 2 86 SER HB2 . . 4.910 4.623 4.334 5.148 0.238 10 0 "[ . 1 . 2]" 1
916 2 31 PRO HG2 2 108 PHE QE . . 4.860 4.392 4.018 4.753 . 0 0 "[ . 1 . 2]" 1
917 2 31 PRO HG3 2 32 VAL H . . 4.490 4.297 4.133 4.517 0.027 4 0 "[ . 1 . 2]" 1
918 2 31 PRO HG3 2 32 VAL MG1 . . 4.630 4.378 4.168 4.613 . 0 0 "[ . 1 . 2]" 1
919 2 31 PRO HG3 2 108 PHE QE . . 4.660 3.024 2.591 3.447 . 0 0 "[ . 1 . 2]" 1
920 2 32 VAL H 2 32 VAL HB . . 3.910 3.833 3.751 3.931 0.021 19 0 "[ . 1 . 2]" 1
921 2 32 VAL H 2 32 VAL MG1 . . 3.960 2.872 2.561 3.009 . 0 0 "[ . 1 . 2]" 1
922 2 32 VAL H 2 32 VAL MG2 . . 3.300 2.341 2.192 2.561 . 0 0 "[ . 1 . 2]" 1
923 2 32 VAL HA 2 32 VAL MG1 . . 3.130 2.391 2.265 2.526 . 0 0 "[ . 1 . 2]" 1
924 2 32 VAL HA 2 32 VAL MG2 . . 3.580 3.211 3.201 3.218 . 0 0 "[ . 1 . 2]" 1
925 2 32 VAL HA 2 33 GLY H . . 3.530 2.420 2.203 2.684 . 0 0 "[ . 1 . 2]" 1
926 2 32 VAL HA 2 87 PHE HB3 . . 4.100 2.823 2.315 3.297 . 0 0 "[ . 1 . 2]" 1
927 2 32 VAL HB 2 33 GLY H . . 3.500 2.685 2.172 3.339 . 0 0 "[ . 1 . 2]" 1
928 2 32 VAL HB 2 33 GLY HA3 . . 4.700 4.872 4.581 5.296 0.596 8 1 "[ . + 1 . 2]" 1
929 2 32 VAL MG1 2 33 GLY H . . 4.290 3.930 3.683 4.205 . 0 0 "[ . 1 . 2]" 1
930 2 32 VAL MG1 2 86 SER HB2 . . 3.930 2.266 1.876 3.005 . 0 0 "[ . 1 . 2]" 1
931 2 32 VAL MG1 2 86 SER HB3 . . 4.860 3.622 2.371 4.344 . 0 0 "[ . 1 . 2]" 1
932 2 32 VAL MG1 2 86 SER HG . . 4.180 3.413 2.604 4.174 . 0 0 "[ . 1 . 2]" 1
933 2 32 VAL MG1 2 87 PHE HA . . 4.230 3.729 3.326 4.029 . 0 0 "[ . 1 . 2]" 1
934 2 32 VAL MG1 2 87 PHE HB2 . . 4.010 2.227 2.029 2.421 . 0 0 "[ . 1 . 2]" 1
935 2 32 VAL MG1 2 87 PHE HB3 . . 4.070 3.535 3.000 3.949 . 0 0 "[ . 1 . 2]" 1
936 2 32 VAL MG2 2 33 GLY H . . 3.790 3.415 2.881 3.779 . 0 0 "[ . 1 . 2]" 1
937 2 32 VAL MG2 2 33 GLY HA2 . . 4.510 3.696 3.437 3.954 . 0 0 "[ . 1 . 2]" 1
938 2 32 VAL MG2 2 33 GLY HA3 . . 4.000 3.929 3.504 4.263 0.263 8 0 "[ . 1 . 2]" 1
939 2 33 GLY H 2 34 MET H . . 4.690 3.817 3.325 4.034 . 0 0 "[ . 1 . 2]" 1
940 2 33 GLY H 2 87 PHE HB3 . . 4.940 3.998 3.422 4.543 . 0 0 "[ . 1 . 2]" 1
941 2 33 GLY H 2 87 PHE HD2 . . 5.260 3.520 2.525 4.500 . 0 0 "[ . 1 . 2]" 1
942 2 33 GLY H 2 87 PHE QE . . 5.020 3.531 2.896 4.049 . 0 0 "[ . 1 . 2]" 1
943 2 33 GLY H 2 87 PHE HZ . . 4.840 4.383 3.331 4.850 0.010 7 0 "[ . 1 . 2]" 1
944 2 33 GLY HA2 2 35 ASP H . . 5.070 3.886 3.313 4.253 . 0 0 "[ . 1 . 2]" 1
945 2 33 GLY HA2 2 36 THR H . . 4.700 4.266 3.977 4.656 . 0 0 "[ . 1 . 2]" 1
946 2 33 GLY HA3 2 36 THR H . . 5.010 3.211 2.940 3.649 . 0 0 "[ . 1 . 2]" 1
947 2 34 MET H 2 34 MET HB2 . . 3.760 2.103 1.979 2.456 . 0 0 "[ . 1 . 2]" 1
948 2 34 MET H 2 34 MET QG . . 4.320 3.351 2.116 3.993 . 0 0 "[ . 1 . 2]" 1
949 2 34 MET H 2 36 THR H . . 5.050 3.927 3.643 4.295 . 0 0 "[ . 1 . 2]" 1
950 2 34 MET H 2 87 PHE QE . . 4.720 4.211 3.428 4.499 . 0 0 "[ . 1 . 2]" 1
951 2 34 MET HA 2 37 LEU HB2 . . 4.420 3.311 2.834 3.957 . 0 0 "[ . 1 . 2]" 1
952 2 34 MET HA 2 37 LEU HB3 . . 4.480 2.880 2.039 3.485 . 0 0 "[ . 1 . 2]" 1
953 2 34 MET HB2 2 35 ASP H . . 4.450 3.285 2.611 4.164 . 0 0 "[ . 1 . 2]" 1
954 2 34 MET HB2 2 87 PHE QE . . 4.450 4.410 3.626 4.918 0.468 17 0 "[ . 1 . 2]" 1
955 2 34 MET ME 2 34 MET QG . . 3.320 2.119 1.970 2.393 . 0 0 "[ . 1 . 2]" 1
956 2 34 MET ME 2 37 LEU HB3 . . 3.990 3.195 2.646 3.960 . 0 0 "[ . 1 . 2]" 1
957 2 34 MET ME 2 37 LEU MD2 . . 3.000 2.226 1.799 2.987 . 0 0 "[ . 1 . 2]" 1
958 2 34 MET ME 2 38 ASN H . . 4.450 3.961 3.210 4.440 . 0 0 "[ . 1 . 2]" 1
959 2 34 MET ME 2 38 ASN HD21 . . 4.070 3.390 2.378 4.075 0.005 1 0 "[ . 1 . 2]" 1
960 2 34 MET ME 2 38 ASN HD22 . . 3.400 3.009 2.234 3.413 0.013 18 0 "[ . 1 . 2]" 1
961 2 34 MET ME 2 87 PHE QE . . 4.540 2.900 2.270 3.831 . 0 0 "[ . 1 . 2]" 1
962 2 34 MET ME 2 89 GLY HA2 . . 4.510 4.122 3.386 4.530 0.020 17 0 "[ . 1 . 2]" 1
963 2 34 MET ME 2 89 GLY HA3 . . 3.580 2.781 1.972 3.376 . 0 0 "[ . 1 . 2]" 1
964 2 34 MET ME 2 90 VAL H . . 3.430 2.489 1.923 2.955 . 0 0 "[ . 1 . 2]" 1
965 2 34 MET ME 2 90 VAL MG1 . . 4.300 3.736 3.252 4.193 . 0 0 "[ . 1 . 2]" 1
966 2 34 MET ME 2 90 VAL MG2 . . 3.970 3.633 3.325 3.942 . 0 0 "[ . 1 . 2]" 1
967 2 34 MET QG 2 87 PHE QE . . 4.160 3.223 2.449 3.958 . 0 0 "[ . 1 . 2]" 1
968 2 35 ASP H 2 35 ASP HB2 . . 4.000 2.075 2.006 2.276 . 0 0 "[ . 1 . 2]" 1
969 2 35 ASP H 2 35 ASP HB3 . . 3.890 3.213 2.706 3.448 . 0 0 "[ . 1 . 2]" 1
970 2 35 ASP H 2 36 THR H . . 3.650 2.550 2.192 2.833 . 0 0 "[ . 1 . 2]" 1
971 2 35 ASP H 2 37 LEU H . . 4.980 4.101 3.661 4.389 . 0 0 "[ . 1 . 2]" 1
972 2 35 ASP HA 2 38 ASN H . . 4.680 3.982 3.518 4.404 . 0 0 "[ . 1 . 2]" 1
973 2 35 ASP HA 2 38 ASN HB2 . . 4.090 3.035 2.694 3.540 . 0 0 "[ . 1 . 2]" 1
974 2 35 ASP HA 2 38 ASN HD21 . . 4.250 4.028 3.485 4.251 0.001 19 0 "[ . 1 . 2]" 1
975 2 35 ASP HA 2 39 SER H . . 4.430 3.900 3.588 4.212 . 0 0 "[ . 1 . 2]" 1
976 2 35 ASP HB2 2 36 THR H . . 4.240 3.282 2.870 3.827 . 0 0 "[ . 1 . 2]" 1
977 2 35 ASP HB3 2 36 THR H . . 4.140 3.238 2.615 3.721 . 0 0 "[ . 1 . 2]" 1
978 2 36 THR H 2 36 THR HB . . 3.480 2.253 2.053 2.438 . 0 0 "[ . 1 . 2]" 1
979 2 36 THR H 2 36 THR MG . . 4.070 3.654 3.553 3.719 . 0 0 "[ . 1 . 2]" 1
980 2 36 THR H 2 37 LEU H . . 3.770 2.469 2.240 2.729 . 0 0 "[ . 1 . 2]" 1
981 2 36 THR H 2 37 LEU HB3 . . 4.750 4.765 4.431 5.208 0.458 15 0 "[ . 1 . 2]" 1
982 2 36 THR H 2 100 ILE MD . . 5.010 4.976 4.806 5.029 0.019 11 0 "[ . 1 . 2]" 1
983 2 36 THR HA 2 36 THR MG . . 3.150 2.488 2.304 2.665 . 0 0 "[ . 1 . 2]" 1
984 2 36 THR HA 2 39 SER H . . 4.440 3.758 3.467 4.114 . 0 0 "[ . 1 . 2]" 1
985 2 36 THR HA 2 39 SER HB2 . . 3.860 2.758 2.273 3.671 . 0 0 "[ . 1 . 2]" 1
986 2 36 THR HA 2 39 SER HB3 . . 4.180 3.283 2.678 3.969 . 0 0 "[ . 1 . 2]" 1
987 2 36 THR HB 2 37 LEU H . . 3.630 2.864 2.469 3.247 . 0 0 "[ . 1 . 2]" 1
988 2 36 THR HB 2 100 ILE MD . . 4.140 3.501 3.108 3.793 . 0 0 "[ . 1 . 2]" 1
989 2 36 THR MG 2 37 LEU H . . 4.050 3.501 2.987 3.902 . 0 0 "[ . 1 . 2]" 1
990 2 36 THR MG 2 37 LEU HA . . 4.390 3.549 3.143 3.932 . 0 0 "[ . 1 . 2]" 1
991 2 36 THR MG 2 100 ILE MD . . 3.290 2.754 2.167 3.296 0.006 2 0 "[ . 1 . 2]" 1
992 2 37 LEU H 2 37 LEU HB2 . . 3.880 2.371 2.151 2.495 . 0 0 "[ . 1 . 2]" 1
993 2 37 LEU H 2 37 LEU HB3 . . 3.730 2.555 2.424 2.775 . 0 0 "[ . 1 . 2]" 1
994 2 37 LEU H 2 37 LEU MD1 . . 4.080 3.939 3.584 4.085 0.005 10 0 "[ . 1 . 2]" 1
995 2 37 LEU H 2 37 LEU MD2 . . 4.190 4.204 4.156 4.272 0.082 15 0 "[ . 1 . 2]" 1
996 2 37 LEU H 2 37 LEU HG . . 4.730 4.431 4.389 4.500 . 0 0 "[ . 1 . 2]" 1
997 2 37 LEU H 2 38 ASN H . . 4.070 2.833 2.584 3.099 . 0 0 "[ . 1 . 2]" 1
998 2 37 LEU HA 2 37 LEU MD1 . . 3.340 2.461 2.007 2.949 . 0 0 "[ . 1 . 2]" 1
999 2 37 LEU HA 2 37 LEU HG . . 3.590 2.694 2.480 2.845 . 0 0 "[ . 1 . 2]" 1
1000 2 37 LEU HA 2 40 ALA H . . 4.570 3.535 3.438 3.639 . 0 0 "[ . 1 . 2]" 1
1001 2 37 LEU HA 2 40 ALA MB . . 3.680 3.123 2.969 3.320 . 0 0 "[ . 1 . 2]" 1
1002 2 37 LEU HA 2 98 ALA MB . . 4.290 3.919 3.715 4.148 . 0 0 "[ . 1 . 2]" 1
1003 2 37 LEU HA 2 100 ILE MD . . 3.540 3.359 2.779 3.553 0.013 16 0 "[ . 1 . 2]" 1
1004 2 37 LEU HB2 2 37 LEU MD2 . . 3.650 2.665 2.457 2.902 . 0 0 "[ . 1 . 2]" 1
1005 2 37 LEU HB2 2 38 ASN H . . 3.990 3.621 3.388 3.774 . 0 0 "[ . 1 . 2]" 1
1006 2 37 LEU HB3 2 37 LEU MD1 . . 3.410 3.136 3.020 3.209 . 0 0 "[ . 1 . 2]" 1
1007 2 37 LEU HB3 2 38 ASN H . . 4.340 2.219 2.034 2.336 . 0 0 "[ . 1 . 2]" 1
1008 2 37 LEU MD1 2 38 ASN H . . 4.670 4.627 4.525 4.695 0.025 18 0 "[ . 1 . 2]" 1
1009 2 37 LEU MD1 2 87 PHE QE . . 4.850 3.359 2.042 3.847 . 0 0 "[ . 1 . 2]" 1
1010 2 37 LEU MD1 2 88 MET H . . 4.480 4.235 3.822 4.470 . 0 0 "[ . 1 . 2]" 1
1011 2 37 LEU MD1 2 88 MET HA . . 4.030 2.632 1.995 3.066 . 0 0 "[ . 1 . 2]" 1
1012 2 37 LEU MD1 2 89 GLY H . . 3.990 2.753 1.917 3.499 . 0 0 "[ . 1 . 2]" 1
1013 2 37 LEU MD1 2 98 ALA H . . 4.470 3.820 3.402 4.226 . 0 0 "[ . 1 . 2]" 1
1014 2 37 LEU MD1 2 98 ALA MB . . 3.060 2.003 1.862 2.228 . 0 0 "[ . 1 . 2]" 1
1015 2 37 LEU MD1 2 99 PHE H . . 4.470 3.026 2.505 3.488 . 0 0 "[ . 1 . 2]" 1
1016 2 37 LEU MD1 2 99 PHE HA . . 3.870 2.511 2.272 2.696 . 0 0 "[ . 1 . 2]" 1
1017 2 37 LEU MD1 2 100 ILE H . . 4.510 3.333 3.101 3.566 . 0 0 "[ . 1 . 2]" 1
1018 2 37 LEU MD2 2 38 ASN H . . 4.370 3.521 3.060 4.108 . 0 0 "[ . 1 . 2]" 1
1019 2 37 LEU MD2 2 87 PHE QE . . 4.510 2.214 1.944 2.868 . 0 0 "[ . 1 . 2]" 1
1020 2 37 LEU MD2 2 87 PHE HZ . . 4.360 4.071 3.636 4.347 . 0 0 "[ . 1 . 2]" 1
1021 2 37 LEU MD2 2 88 MET HA . . 4.440 3.312 2.575 4.027 . 0 0 "[ . 1 . 2]" 1
1022 2 37 LEU MD2 2 89 GLY H . . 3.960 2.098 1.899 2.551 . 0 0 "[ . 1 . 2]" 1
1023 2 37 LEU MD2 2 89 GLY HA2 . . 4.060 3.652 3.327 3.916 . 0 0 "[ . 1 . 2]" 1
1024 2 37 LEU MD2 2 89 GLY HA3 . . 3.690 2.614 2.131 2.895 . 0 0 "[ . 1 . 2]" 1
1025 2 37 LEU MD2 2 90 VAL H . . 4.500 3.149 2.854 3.452 . 0 0 "[ . 1 . 2]" 1
1026 2 37 LEU MD2 2 98 ALA H . . 4.050 3.088 2.577 3.388 . 0 0 "[ . 1 . 2]" 1
1027 2 37 LEU MD2 2 98 ALA MB . . 3.410 2.659 2.025 3.073 . 0 0 "[ . 1 . 2]" 1
1028 2 37 LEU MD2 2 99 PHE HA . . 4.570 3.994 3.371 4.550 . 0 0 "[ . 1 . 2]" 1
1029 2 37 LEU HG 2 38 ASN H . . 5.050 3.817 3.576 4.103 . 0 0 "[ . 1 . 2]" 1
1030 2 37 LEU HG 2 98 ALA MB . . 3.530 2.147 1.961 2.469 . 0 0 "[ . 1 . 2]" 1
1031 2 38 ASN H 2 38 ASN HB2 . . 3.720 2.298 2.066 2.803 . 0 0 "[ . 1 . 2]" 1
1032 2 38 ASN H 2 38 ASN HB3 . . 3.870 3.482 3.358 3.575 . 0 0 "[ . 1 . 2]" 1
1033 2 38 ASN H 2 38 ASN HD21 . . 4.360 2.886 1.909 4.297 . 0 0 "[ . 1 . 2]" 1
1034 2 38 ASN H 2 39 SER H . . 3.750 2.967 2.788 3.052 . 0 0 "[ . 1 . 2]" 1
1035 2 38 ASN H 2 40 ALA H . . 5.050 4.430 4.085 4.596 . 0 0 "[ . 1 . 2]" 1
1036 2 38 ASN HA 2 40 ALA MB . . 4.630 4.582 4.417 4.644 0.014 16 0 "[ . 1 . 2]" 1
1037 2 38 ASN HA 2 41 ILE H . . 4.230 3.427 3.214 3.635 . 0 0 "[ . 1 . 2]" 1
1038 2 38 ASN HA 2 41 ILE HB . . 3.910 2.575 2.460 2.680 . 0 0 "[ . 1 . 2]" 1
1039 2 38 ASN HA 2 41 ILE MD . . 3.530 2.211 1.995 2.515 . 0 0 "[ . 1 . 2]" 1
1040 2 38 ASN HA 2 41 ILE HG13 . . 4.700 3.987 3.513 4.357 . 0 0 "[ . 1 . 2]" 1
1041 2 38 ASN HA 2 41 ILE MG . . 4.000 3.944 3.826 4.015 0.015 1 0 "[ . 1 . 2]" 1
1042 2 38 ASN HA 2 42 GLU H . . 4.550 3.779 3.507 3.998 . 0 0 "[ . 1 . 2]" 1
1043 2 38 ASN HB2 2 39 SER H . . 4.130 2.640 2.327 2.921 . 0 0 "[ . 1 . 2]" 1
1044 2 38 ASN HB3 2 39 SER H . . 4.200 3.104 2.742 3.777 . 0 0 "[ . 1 . 2]" 1
1045 2 39 SER H 2 39 SER HB2 . . 3.270 2.172 2.037 2.444 . 0 0 "[ . 1 . 2]" 1
1046 2 39 SER H 2 39 SER HB3 . . 3.400 3.009 2.550 3.378 . 0 0 "[ . 1 . 2]" 1
1047 2 39 SER H 2 40 ALA H . . 3.570 3.017 2.847 3.081 . 0 0 "[ . 1 . 2]" 1
1048 2 39 SER HA 2 42 GLU H . . 4.430 3.747 3.576 3.896 . 0 0 "[ . 1 . 2]" 1
1049 2 39 SER HA 2 42 GLU HB2 . . 3.690 2.666 2.517 2.870 . 0 0 "[ . 1 . 2]" 1
1050 2 39 SER HA 2 43 ASN H . . 4.870 4.011 3.865 4.254 . 0 0 "[ . 1 . 2]" 1
1051 2 39 SER HB2 2 40 ALA H . . 3.890 3.485 3.006 3.904 0.014 1 0 "[ . 1 . 2]" 1
1052 2 39 SER HB3 2 40 ALA H . . 3.770 2.653 2.344 3.193 . 0 0 "[ . 1 . 2]" 1
1053 2 40 ALA H 2 40 ALA MB . . 3.060 2.156 2.118 2.201 . 0 0 "[ . 1 . 2]" 1
1054 2 40 ALA H 2 41 ILE H . . 3.640 2.897 2.640 3.023 . 0 0 "[ . 1 . 2]" 1
1055 2 40 ALA H 2 41 ILE MD . . 4.800 4.620 4.129 4.815 0.015 1 0 "[ . 1 . 2]" 1
1056 2 40 ALA H 2 42 GLU H . . 4.980 4.073 3.759 4.328 . 0 0 "[ . 1 . 2]" 1
1057 2 40 ALA HA 2 43 ASN H . . 4.270 3.211 3.087 3.321 . 0 0 "[ . 1 . 2]" 1
1058 2 40 ALA HA 2 43 ASN HB2 . . 3.620 2.337 2.076 2.534 . 0 0 "[ . 1 . 2]" 1
1059 2 40 ALA HA 2 43 ASN HB3 . . 3.610 3.242 3.118 3.407 . 0 0 "[ . 1 . 2]" 1
1060 2 40 ALA MB 2 41 ILE H . . 3.430 2.156 2.026 2.332 . 0 0 "[ . 1 . 2]" 1
1061 2 40 ALA MB 2 41 ILE HA . . 4.470 3.742 3.702 3.789 . 0 0 "[ . 1 . 2]" 1
1062 2 40 ALA MB 2 41 ILE HB . . 4.410 4.327 4.227 4.445 0.035 2 0 "[ . 1 . 2]" 1
1063 2 40 ALA MB 2 41 ILE HG13 . . 4.170 3.041 2.938 3.214 . 0 0 "[ . 1 . 2]" 1
1064 2 40 ALA MB 2 43 ASN H . . 5.040 4.362 4.273 4.486 . 0 0 "[ . 1 . 2]" 1
1065 2 40 ALA MB 2 43 ASN HB2 . . 4.410 4.014 3.797 4.185 . 0 0 "[ . 1 . 2]" 1
1066 2 40 ALA MB 2 43 ASN HB3 . . 4.480 4.451 4.344 4.505 0.025 13 0 "[ . 1 . 2]" 1
1067 2 40 ALA MB 2 44 LEU MD1 . . 4.030 2.895 2.482 3.453 . 0 0 "[ . 1 . 2]" 1
1068 2 40 ALA MB 2 110 CYS H . . 4.950 4.643 4.322 4.962 0.012 14 0 "[ . 1 . 2]" 1
1069 2 40 ALA MB 2 110 CYS HB2 . . 3.980 3.457 3.025 3.861 . 0 0 "[ . 1 . 2]" 1
1070 2 40 ALA MB 2 110 CYS HB3 . . 3.780 2.630 2.286 3.001 . 0 0 "[ . 1 . 2]" 1
1071 2 40 ALA MB 2 112 VAL MG2 . . 3.420 2.443 2.265 2.605 . 0 0 "[ . 1 . 2]" 1
1072 2 41 ILE H 2 41 ILE HB . . 3.690 2.474 2.418 2.531 . 0 0 "[ . 1 . 2]" 1
1073 2 41 ILE H 2 41 ILE MD . . 3.700 2.948 2.496 3.154 . 0 0 "[ . 1 . 2]" 1
1074 2 41 ILE H 2 41 ILE HG12 . . 3.950 3.513 3.443 3.675 . 0 0 "[ . 1 . 2]" 1
1075 2 41 ILE H 2 41 ILE HG13 . . 3.700 2.016 1.937 2.242 . 0 0 "[ . 1 . 2]" 1
1076 2 41 ILE H 2 41 ILE MG . . 3.810 3.713 3.705 3.718 . 0 0 "[ . 1 . 2]" 1
1077 2 41 ILE H 2 42 GLU H . . 3.920 2.965 2.857 3.039 . 0 0 "[ . 1 . 2]" 1
1078 2 41 ILE H 2 43 ASN H . . 5.270 4.245 3.993 4.522 . 0 0 "[ . 1 . 2]" 1
1079 2 41 ILE H 2 98 ALA MB . . 4.560 3.692 3.461 3.953 . 0 0 "[ . 1 . 2]" 1
1080 2 41 ILE H 2 112 VAL MG1 . . 4.820 4.009 3.722 4.260 . 0 0 "[ . 1 . 2]" 1
1081 2 41 ILE H 2 112 VAL MG2 . . 4.290 2.906 2.744 3.092 . 0 0 "[ . 1 . 2]" 1
1082 2 41 ILE HA 2 41 ILE MD . . 3.990 3.835 3.742 3.858 . 0 0 "[ . 1 . 2]" 1
1083 2 41 ILE HA 2 41 ILE HG13 . . 3.920 2.588 2.385 2.722 . 0 0 "[ . 1 . 2]" 1
1084 2 41 ILE HA 2 41 ILE MG . . 3.260 2.445 2.378 2.499 . 0 0 "[ . 1 . 2]" 1
1085 2 41 ILE HA 2 44 LEU H . . 4.720 3.918 3.736 4.111 . 0 0 "[ . 1 . 2]" 1
1086 2 41 ILE HA 2 44 LEU HB2 . . 4.340 3.029 2.845 3.196 . 0 0 "[ . 1 . 2]" 1
1087 2 41 ILE HA 2 44 LEU MD1 . . 4.140 3.399 3.053 3.752 . 0 0 "[ . 1 . 2]" 1
1088 2 41 ILE HA 2 98 ALA MB . . 4.440 4.122 3.899 4.248 . 0 0 "[ . 1 . 2]" 1
1089 2 41 ILE HA 2 112 VAL MG1 . . 3.540 2.276 2.101 2.570 . 0 0 "[ . 1 . 2]" 1
1090 2 41 ILE HA 2 112 VAL MG2 . . 3.240 2.271 2.001 2.419 . 0 0 "[ . 1 . 2]" 1
1091 2 41 ILE HB 2 41 ILE MD . . 3.440 2.049 1.963 2.238 . 0 0 "[ . 1 . 2]" 1
1092 2 41 ILE HB 2 42 GLU H . . 3.680 2.623 2.451 2.778 . 0 0 "[ . 1 . 2]" 1
1093 2 41 ILE HB 2 112 VAL MG2 . . 4.320 4.088 3.851 4.303 . 0 0 "[ . 1 . 2]" 1
1094 2 41 ILE MD 2 41 ILE MG . . 2.860 2.499 2.305 2.679 . 0 0 "[ . 1 . 2]" 1
1095 2 41 ILE MD 2 42 GLU H . . 4.350 4.208 3.993 4.365 0.015 20 0 "[ . 1 . 2]" 1
1096 2 41 ILE MD 2 91 GLY H . . 3.940 2.344 2.010 2.676 . 0 0 "[ . 1 . 2]" 1
1097 2 41 ILE MD 2 91 GLY HA2 . . 3.690 2.459 2.262 2.975 . 0 0 "[ . 1 . 2]" 1
1098 2 41 ILE MD 2 91 GLY HA3 . . 3.470 2.116 1.961 2.438 . 0 0 "[ . 1 . 2]" 1
1099 2 41 ILE MD 2 92 LYS H . . 4.690 4.033 3.861 4.270 . 0 0 "[ . 1 . 2]" 1
1100 2 41 ILE MD 2 96 THR HB . . 3.830 3.818 3.731 3.854 0.024 19 0 "[ . 1 . 2]" 1
1101 2 41 ILE MD 2 98 ALA H . . 4.460 3.040 2.819 3.250 . 0 0 "[ . 1 . 2]" 1
1102 2 41 ILE HG12 2 98 ALA MB . . 4.320 2.489 2.248 2.962 . 0 0 "[ . 1 . 2]" 1
1103 2 41 ILE HG12 2 112 VAL MG1 . . 4.140 1.896 1.787 2.053 . 0 0 "[ . 1 . 2]" 1
1104 2 41 ILE HG13 2 41 ILE MG . . 3.620 3.156 3.079 3.197 . 0 0 "[ . 1 . 2]" 1
1105 2 41 ILE HG13 2 42 GLU H . . 4.900 4.437 4.367 4.568 . 0 0 "[ . 1 . 2]" 1
1106 2 41 ILE HG13 2 98 ALA MB . . 3.820 2.272 2.079 2.493 . 0 0 "[ . 1 . 2]" 1
1107 2 41 ILE HG13 2 112 VAL MG1 . . 3.960 2.702 2.041 3.008 . 0 0 "[ . 1 . 2]" 1
1108 2 41 ILE HG13 2 112 VAL MG2 . . 3.790 2.028 1.898 2.266 . 0 0 "[ . 1 . 2]" 1
1109 2 41 ILE MG 2 42 GLU H . . 3.770 3.401 3.255 3.539 . 0 0 "[ . 1 . 2]" 1
1110 2 41 ILE MG 2 42 GLU HA . . 4.050 3.517 3.419 3.624 . 0 0 "[ . 1 . 2]" 1
1111 2 41 ILE MG 2 42 GLU HG2 . . 4.320 3.851 3.326 4.077 . 0 0 "[ . 1 . 2]" 1
1112 2 41 ILE MG 2 42 GLU HG3 . . 4.250 4.095 3.862 4.287 0.037 11 0 "[ . 1 . 2]" 1
1113 2 41 ILE MG 2 45 MET H . . 4.180 3.791 3.576 3.968 . 0 0 "[ . 1 . 2]" 1
1114 2 41 ILE MG 2 45 MET HB2 . . 4.570 3.874 3.753 3.997 . 0 0 "[ . 1 . 2]" 1
1115 2 41 ILE MG 2 45 MET HB3 . . 4.690 4.625 4.481 4.705 0.015 14 0 "[ . 1 . 2]" 1
1116 2 41 ILE MG 2 45 MET ME . . 3.480 3.007 2.548 3.485 0.005 18 0 "[ . 1 . 2]" 1
1117 2 41 ILE MG 2 45 MET HG2 . . 3.730 2.515 2.356 2.666 . 0 0 "[ . 1 . 2]" 1
1118 2 41 ILE MG 2 45 MET HG3 . . 3.700 2.348 2.093 2.546 . 0 0 "[ . 1 . 2]" 1
1119 2 41 ILE MG 2 91 GLY H . . 4.260 3.325 3.123 3.581 . 0 0 "[ . 1 . 2]" 1
1120 2 41 ILE MG 2 91 GLY HA3 . . 4.140 2.521 2.202 3.150 . 0 0 "[ . 1 . 2]" 1
1121 2 41 ILE MG 2 96 THR H . . 4.960 4.863 4.718 4.971 0.011 12 0 "[ . 1 . 2]" 1
1122 2 41 ILE MG 2 96 THR HA . . 4.660 4.664 4.630 4.687 0.027 12 0 "[ . 1 . 2]" 1
1123 2 41 ILE MG 2 96 THR HB . . 3.290 2.462 2.387 2.566 . 0 0 "[ . 1 . 2]" 1
1124 2 41 ILE MG 2 96 THR MG . . 3.200 2.749 2.469 2.935 . 0 0 "[ . 1 . 2]" 1
1125 2 42 GLU H 2 42 GLU HB2 . . 3.320 2.354 2.228 2.548 . 0 0 "[ . 1 . 2]" 1
1126 2 42 GLU H 2 42 GLU HG2 . . 3.810 3.179 2.544 3.398 . 0 0 "[ . 1 . 2]" 1
1127 2 42 GLU H 2 42 GLU HG3 . . 3.580 2.498 2.186 2.822 . 0 0 "[ . 1 . 2]" 1
1128 2 42 GLU H 2 43 ASN H . . 3.830 2.692 2.595 2.787 . 0 0 "[ . 1 . 2]" 1
1129 2 42 GLU HA 2 42 GLU HG2 . . 3.390 2.244 2.132 2.399 . 0 0 "[ . 1 . 2]" 1
1130 2 42 GLU HA 2 42 GLU HG3 . . 3.670 3.222 3.116 3.537 . 0 0 "[ . 1 . 2]" 1
1131 2 42 GLU HA 2 45 MET H . . 4.070 3.716 3.573 3.798 . 0 0 "[ . 1 . 2]" 1
1132 2 42 GLU HA 2 45 MET HB2 . . 4.130 2.300 2.234 2.357 . 0 0 "[ . 1 . 2]" 1
1133 2 42 GLU HA 2 45 MET HB3 . . 3.610 3.596 3.510 3.635 0.025 3 0 "[ . 1 . 2]" 1
1134 2 42 GLU HA 2 45 MET HG2 . . 4.380 3.987 3.825 4.144 . 0 0 "[ . 1 . 2]" 1
1135 2 42 GLU HA 2 45 MET HG3 . . 4.270 2.741 2.506 3.007 . 0 0 "[ . 1 . 2]" 1
1136 2 42 GLU HA 2 46 THR H . . 4.790 4.295 3.931 4.711 . 0 0 "[ . 1 . 2]" 1
1137 2 42 GLU HA 2 46 THR MG . . 4.390 4.413 4.328 4.447 0.057 4 0 "[ . 1 . 2]" 1
1138 2 42 GLU HB2 2 43 ASN H . . 3.660 2.716 2.502 2.889 . 0 0 "[ . 1 . 2]" 1
1139 2 42 GLU HB3 2 46 THR MG . . 4.480 4.259 4.058 4.454 . 0 0 "[ . 1 . 2]" 1
1140 2 42 GLU HG2 2 43 ASN H . . 4.700 4.908 4.666 4.999 0.299 2 0 "[ . 1 . 2]" 1
1141 2 42 GLU HG3 2 43 ASN H . . 5.000 4.535 4.275 4.671 . 0 0 "[ . 1 . 2]" 1
1142 2 43 ASN H 2 43 ASN HB2 . . 3.220 2.037 2.021 2.068 . 0 0 "[ . 1 . 2]" 1
1143 2 43 ASN H 2 43 ASN HB3 . . 3.260 3.140 3.018 3.269 0.009 13 0 "[ . 1 . 2]" 1
1144 2 43 ASN H 2 44 LEU H . . 3.860 2.951 2.825 3.042 . 0 0 "[ . 1 . 2]" 1
1145 2 43 ASN H 2 45 MET H . . 5.020 4.051 3.730 4.335 . 0 0 "[ . 1 . 2]" 1
1146 2 43 ASN HA 2 43 ASN HD21 . . 4.660 3.365 2.633 4.040 . 0 0 "[ . 1 . 2]" 1
1147 2 43 ASN HA 2 43 ASN HD22 . . 4.950 3.885 3.476 4.294 . 0 0 "[ . 1 . 2]" 1
1148 2 43 ASN HB2 2 43 ASN HD22 . . 4.150 3.983 3.450 4.153 0.003 13 0 "[ . 1 . 2]" 1
1149 2 43 ASN HB2 2 44 LEU H . . 3.720 2.898 2.668 3.102 . 0 0 "[ . 1 . 2]" 1
1150 2 43 ASN HB3 2 44 LEU H . . 3.600 2.141 1.942 2.335 . 0 0 "[ . 1 . 2]" 1
1151 2 43 ASN HB3 2 44 LEU MD2 . . 4.270 4.035 3.784 4.208 . 0 0 "[ . 1 . 2]" 1
1152 2 44 LEU H 2 44 LEU HB2 . . 3.980 2.360 2.194 2.510 . 0 0 "[ . 1 . 2]" 1
1153 2 44 LEU H 2 44 LEU MD1 . . 3.990 3.385 3.108 3.720 . 0 0 "[ . 1 . 2]" 1
1154 2 44 LEU H 2 44 LEU MD2 . . 3.670 3.606 3.462 3.686 0.016 1 0 "[ . 1 . 2]" 1
1155 2 44 LEU H 2 44 LEU HG . . 3.320 2.342 2.065 2.669 . 0 0 "[ . 1 . 2]" 1
1156 2 44 LEU H 2 45 MET H . . 3.740 2.898 2.786 2.973 . 0 0 "[ . 1 . 2]" 1
1157 2 44 LEU HA 2 44 LEU MD1 . . 3.930 3.864 3.803 3.909 . 0 0 "[ . 1 . 2]" 1
1158 2 44 LEU HA 2 44 LEU MD2 . . 2.820 2.249 2.028 2.478 . 0 0 "[ . 1 . 2]" 1
1159 2 44 LEU HA 2 44 LEU HG . . 3.380 2.790 2.716 2.892 . 0 0 "[ . 1 . 2]" 1
1160 2 44 LEU HA 2 46 THR H . . 4.860 4.507 3.930 4.894 0.034 14 0 "[ . 1 . 2]" 1
1161 2 44 LEU HA 2 46 THR MG . . 4.560 4.508 4.316 4.589 0.029 9 0 "[ . 1 . 2]" 1
1162 2 44 LEU HA 2 47 SER H . . 4.040 3.245 2.845 3.723 . 0 0 "[ . 1 . 2]" 1
1163 2 44 LEU HB2 2 45 MET H . . 4.020 2.646 2.485 2.897 . 0 0 "[ . 1 . 2]" 1
1164 2 44 LEU HB3 2 45 MET H . . 4.800 3.473 3.257 3.775 . 0 0 "[ . 1 . 2]" 1
1165 2 44 LEU MD1 2 112 VAL H . . 3.800 2.809 2.543 3.355 . 0 0 "[ . 1 . 2]" 1
1166 2 44 LEU MD1 2 112 VAL HB . . 3.350 2.016 1.913 2.300 . 0 0 "[ . 1 . 2]" 1
1167 2 44 LEU MD1 2 112 VAL MG1 . . 3.840 3.157 2.913 3.491 . 0 0 "[ . 1 . 2]" 1
1168 2 44 LEU MD2 2 45 MET H . . 4.910 4.797 4.671 4.914 0.004 11 0 "[ . 1 . 2]" 1
1169 2 45 MET H 2 45 MET HB2 . . 3.760 2.246 2.177 2.309 . 0 0 "[ . 1 . 2]" 1
1170 2 45 MET H 2 45 MET HB3 . . 3.570 3.498 3.459 3.522 . 0 0 "[ . 1 . 2]" 1
1171 2 45 MET H 2 45 MET ME . . 4.260 4.279 4.263 4.308 0.048 3 0 "[ . 1 . 2]" 1
1172 2 45 MET H 2 45 MET HG2 . . 4.110 2.685 2.596 2.810 . 0 0 "[ . 1 . 2]" 1
1173 2 45 MET H 2 45 MET HG3 . . 3.760 3.393 3.104 3.636 . 0 0 "[ . 1 . 2]" 1
1174 2 45 MET H 2 46 THR H . . 3.610 3.139 2.824 3.281 . 0 0 "[ . 1 . 2]" 1
1175 2 45 MET H 2 47 SER H . . 4.890 4.156 3.656 4.496 . 0 0 "[ . 1 . 2]" 1
1176 2 45 MET HA 2 45 MET ME . . 3.920 2.994 2.533 3.307 . 0 0 "[ . 1 . 2]" 1
1177 2 45 MET HA 2 45 MET HG2 . . 3.580 2.330 2.165 2.514 . 0 0 "[ . 1 . 2]" 1
1178 2 45 MET HA 2 45 MET HG3 . . 4.000 3.585 3.493 3.635 . 0 0 "[ . 1 . 2]" 1
1179 2 45 MET HA 2 53 TRP HE1 . . 4.710 3.947 3.724 4.134 . 0 0 "[ . 1 . 2]" 1
1180 2 45 MET HA 2 53 TRP HH2 . . 4.730 3.821 3.372 4.215 . 0 0 "[ . 1 . 2]" 1
1181 2 45 MET HA 2 53 TRP HZ2 . . 3.660 2.192 1.986 2.521 . 0 0 "[ . 1 . 2]" 1
1182 2 45 MET HB2 2 46 THR H . . 4.340 2.564 2.310 2.813 . 0 0 "[ . 1 . 2]" 1
1183 2 45 MET HB2 2 46 THR MG . . 3.900 3.646 3.451 3.737 . 0 0 "[ . 1 . 2]" 1
1184 2 45 MET HB3 2 46 THR H . . 4.280 2.954 2.662 3.381 . 0 0 "[ . 1 . 2]" 1
1185 2 45 MET HB3 2 46 THR MG . . 4.190 4.189 4.037 4.243 0.053 3 0 "[ . 1 . 2]" 1
1186 2 45 MET ME 2 53 TRP HH2 . . 3.470 1.991 1.872 2.173 . 0 0 "[ . 1 . 2]" 1
1187 2 45 MET ME 2 53 TRP HZ2 . . 4.480 3.151 2.579 3.439 . 0 0 "[ . 1 . 2]" 1
1188 2 45 MET ME 2 53 TRP HZ3 . . 4.420 3.328 3.021 3.639 . 0 0 "[ . 1 . 2]" 1
1189 2 45 MET ME 2 96 THR MG . . 3.050 2.035 1.713 2.411 . 0 0 "[ . 1 . 2]" 1
1190 2 45 MET ME 2 114 TRP HE3 . . 3.430 2.676 2.318 3.187 . 0 0 "[ . 1 . 2]" 1
1191 2 45 MET ME 2 114 TRP HH2 . . 3.640 3.622 3.476 3.709 0.069 5 0 "[ . 1 . 2]" 1
1192 2 45 MET ME 2 114 TRP HZ3 . . 3.100 1.829 1.759 1.984 . 0 0 "[ . 1 . 2]" 1
1193 2 45 MET HG2 2 53 TRP HH2 . . 4.670 4.420 3.987 4.658 . 0 0 "[ . 1 . 2]" 1
1194 2 45 MET HG2 2 53 TRP HZ2 . . 4.430 3.933 3.660 4.189 . 0 0 "[ . 1 . 2]" 1
1195 2 45 MET HG2 2 96 THR MG . . 4.390 3.925 3.654 4.257 . 0 0 "[ . 1 . 2]" 1
1196 2 45 MET HG3 2 46 THR H . . 5.140 4.804 4.559 5.029 . 0 0 "[ . 1 . 2]" 1
1197 2 46 THR H 2 46 THR HB . . 3.430 2.706 2.519 2.999 . 0 0 "[ . 1 . 2]" 1
1198 2 46 THR H 2 46 THR HG1 . . 4.600 4.297 3.979 4.545 . 0 0 "[ . 1 . 2]" 1
1199 2 46 THR H 2 46 THR MG . . 3.270 1.940 1.887 2.074 . 0 0 "[ . 1 . 2]" 1
1200 2 46 THR HA 2 46 THR MG . . 3.180 3.243 3.236 3.246 0.066 10 0 "[ . 1 . 2]" 1
1201 2 46 THR MG 2 47 SER H . . 4.560 2.056 1.815 2.701 . 0 0 "[ . 1 . 2]" 1
1202 2 47 SER H 2 47 SER HB2 . . 3.590 2.259 2.079 3.387 . 0 0 "[ . 1 . 2]" 1
1203 2 48 SER H 2 48 SER HB2 . . 3.630 2.517 2.136 3.693 0.063 2 0 "[ . 1 . 2]" 1
1204 2 48 SER H 2 48 SER HG . . 4.700 3.396 2.183 4.463 . 0 0 "[ . 1 . 2]" 1
1205 2 48 SER H 2 49 SER H . . 4.420 4.462 4.238 4.585 0.165 6 0 "[ . 1 . 2]" 1
1206 2 48 SER H 2 53 TRP HE1 . . 4.890 3.405 3.013 4.131 . 0 0 "[ . 1 . 2]" 1
1207 2 48 SER HA 2 49 SER H . . 3.340 2.653 2.396 2.751 . 0 0 "[ . 1 . 2]" 1
1208 2 48 SER HB2 2 53 TRP HD1 . . 4.220 3.160 2.933 3.613 . 0 0 "[ . 1 . 2]" 1
1209 2 48 SER HB2 2 53 TRP HE1 . . 3.840 2.372 2.029 3.090 . 0 0 "[ . 1 . 2]" 1
1210 2 48 SER HB3 2 49 SER H . . 3.260 2.250 1.954 3.501 0.241 2 0 "[ . 1 . 2]" 1
1211 2 48 SER HB3 2 52 ASP HB2 . . 4.460 2.868 2.269 4.853 0.393 2 0 "[ . 1 . 2]" 1
1212 2 48 SER HB3 2 52 ASP HB3 . . 4.150 2.602 2.170 3.966 . 0 0 "[ . 1 . 2]" 1
1213 2 48 SER HG 2 53 TRP HE1 . . 5.060 4.313 2.462 5.049 . 0 0 "[ . 1 . 2]" 1
1214 2 49 SER H 2 49 SER HB2 . . 3.510 2.439 2.323 2.499 . 0 0 "[ . 1 . 2]" 1
1215 2 49 SER H 2 49 SER HB3 . . 3.580 3.607 3.560 3.644 0.064 10 0 "[ . 1 . 2]" 1
1216 2 49 SER H 2 50 LYS H . . 4.920 4.498 4.445 4.567 . 0 0 "[ . 1 . 2]" 1
1217 2 49 SER H 2 52 ASP H . . 4.250 3.590 3.423 3.734 . 0 0 "[ . 1 . 2]" 1
1218 2 49 SER H 2 52 ASP HB2 . . 4.490 2.102 1.957 2.295 . 0 0 "[ . 1 . 2]" 1
1219 2 49 SER H 2 52 ASP HB3 . . 4.210 3.007 2.295 3.422 . 0 0 "[ . 1 . 2]" 1
1220 2 49 SER H 2 53 TRP HD1 . . 5.170 4.749 4.341 5.162 . 0 0 "[ . 1 . 2]" 1
1221 2 49 SER H 2 53 TRP HE1 . . 4.740 4.264 3.958 4.595 . 0 0 "[ . 1 . 2]" 1
1222 2 49 SER HA 2 50 LYS H . . 3.060 2.691 2.563 2.783 . 0 0 "[ . 1 . 2]" 1
1223 2 49 SER HA 2 50 LYS HB3 . . 4.600 4.623 4.586 4.657 0.057 14 0 "[ . 1 . 2]" 1
1224 2 49 SER HA 2 51 GLU H . . 4.590 4.518 4.303 4.605 0.015 7 0 "[ . 1 . 2]" 1
1225 2 49 SER HA 2 53 TRP HZ2 . . 4.490 4.459 4.243 4.507 0.017 7 0 "[ . 1 . 2]" 1
1226 2 49 SER HB2 2 50 LYS H . . 3.660 3.302 3.054 3.616 . 0 0 "[ . 1 . 2]" 1
1227 2 49 SER HB2 2 51 GLU H . . 3.910 3.200 2.990 3.414 . 0 0 "[ . 1 . 2]" 1
1228 2 49 SER HB2 2 52 ASP H . . 4.270 2.424 2.163 2.764 . 0 0 "[ . 1 . 2]" 1
1229 2 49 SER HB3 2 50 LYS H . . 3.670 2.101 1.979 2.340 . 0 0 "[ . 1 . 2]" 1
1230 2 49 SER HB3 2 51 GLU H . . 4.020 2.741 2.436 2.954 . 0 0 "[ . 1 . 2]" 1
1231 2 49 SER HB3 2 52 ASP H . . 4.320 3.360 2.994 3.697 . 0 0 "[ . 1 . 2]" 1
1232 2 50 LYS H 2 50 LYS HB2 . . 3.340 3.051 2.956 3.189 . 0 0 "[ . 1 . 2]" 1
1233 2 50 LYS H 2 50 LYS HB3 . . 3.510 2.119 2.086 2.157 . 0 0 "[ . 1 . 2]" 1
1234 2 50 LYS H 2 50 LYS HG2 . . 4.020 3.966 3.740 4.524 0.504 15 1 "[ . 1 + 2]" 1
1235 2 50 LYS H 2 50 LYS HG3 . . 4.410 4.278 3.991 4.360 . 0 0 "[ . 1 . 2]" 1
1236 2 50 LYS H 2 51 GLU H . . 3.900 2.392 2.279 2.505 . 0 0 "[ . 1 . 2]" 1
1237 2 50 LYS HA 2 50 LYS HD2 . . 4.590 4.199 3.538 4.502 . 0 0 "[ . 1 . 2]" 1
1238 2 50 LYS HA 2 50 LYS HG2 . . 3.790 3.744 3.634 3.866 0.076 15 0 "[ . 1 . 2]" 1
1239 2 50 LYS HA 2 50 LYS HG3 . . 3.800 2.850 2.758 3.552 . 0 0 "[ . 1 . 2]" 1
1240 2 50 LYS HA 2 52 ASP H . . 4.910 4.055 3.621 4.455 . 0 0 "[ . 1 . 2]" 1
1241 2 50 LYS HA 2 53 TRP H . . 4.350 3.560 3.279 3.816 . 0 0 "[ . 1 . 2]" 1
1242 2 50 LYS HA 2 53 TRP HE3 . . 4.200 2.935 2.819 3.025 . 0 0 "[ . 1 . 2]" 1
1243 2 50 LYS HA 2 53 TRP HH2 . . 4.690 3.647 3.356 4.118 . 0 0 "[ . 1 . 2]" 1
1244 2 50 LYS HA 2 53 TRP HZ2 . . 4.670 3.807 3.585 4.116 . 0 0 "[ . 1 . 2]" 1
1245 2 50 LYS HA 2 53 TRP HZ3 . . 4.820 3.194 3.023 3.543 . 0 0 "[ . 1 . 2]" 1
1246 2 50 LYS HB2 2 50 LYS HD2 . . 3.240 2.317 2.092 3.839 0.599 15 1 "[ . 1 + 2]" 1
1247 2 50 LYS HB2 2 50 LYS HD3 . . 3.920 3.490 2.718 3.671 . 0 0 "[ . 1 . 2]" 1
1248 2 50 LYS HB2 2 50 LYS HE3 . . 3.750 3.117 2.434 3.588 . 0 0 "[ . 1 . 2]" 1
1249 2 50 LYS HB2 2 51 GLU H . . 4.420 4.267 4.208 4.324 . 0 0 "[ . 1 . 2]" 1
1250 2 50 LYS HB2 2 53 TRP HE3 . . 4.730 4.067 3.839 4.281 . 0 0 "[ . 1 . 2]" 1
1251 2 50 LYS HB2 2 53 TRP HH2 . . 4.730 3.168 2.930 3.565 . 0 0 "[ . 1 . 2]" 1
1252 2 50 LYS HB2 2 53 TRP HZ3 . . 4.570 2.877 2.694 2.996 . 0 0 "[ . 1 . 2]" 1
1253 2 50 LYS HB3 2 50 LYS HD3 . . 3.880 3.588 3.509 3.701 . 0 0 "[ . 1 . 2]" 1
1254 2 50 LYS HB3 2 50 LYS HG2 . . 2.990 2.352 2.317 2.530 . 0 0 "[ . 1 . 2]" 1
1255 2 50 LYS HB3 2 51 GLU H . . 3.940 3.080 2.996 3.170 . 0 0 "[ . 1 . 2]" 1
1256 2 50 LYS HD2 2 53 TRP HZ3 . . 4.860 3.655 3.239 4.446 . 0 0 "[ . 1 . 2]" 1
1257 2 50 LYS HD3 2 53 TRP HZ3 . . 5.070 4.498 3.120 5.096 0.026 7 0 "[ . 1 . 2]" 1
1258 2 50 LYS HE2 2 50 LYS HG2 . . 3.700 3.410 3.307 3.591 . 0 0 "[ . 1 . 2]" 1
1259 2 50 LYS HE2 2 50 LYS HG3 . . 3.630 2.238 1.987 4.173 0.543 15 1 "[ . 1 + 2]" 1
1260 2 50 LYS HE2 2 53 TRP HE3 . . 4.140 2.969 2.062 3.979 . 0 0 "[ . 1 . 2]" 1
1261 2 50 LYS HE2 2 53 TRP HH2 . . 4.840 4.788 4.287 5.784 0.944 7 5 "[ *. + 1* .- * 2]" 1
1262 2 50 LYS HE2 2 53 TRP HZ3 . . 4.610 2.545 2.009 3.579 . 0 0 "[ . 1 . 2]" 1
1263 2 50 LYS HE2 2 114 TRP HD1 . . 4.600 4.123 3.508 4.598 . 0 0 "[ . 1 . 2]" 1
1264 2 50 LYS HE2 2 114 TRP HE1 . . 4.450 3.820 2.834 4.292 . 0 0 "[ . 1 . 2]" 1
1265 2 50 LYS HE3 2 50 LYS HG3 . . 3.850 3.158 2.577 3.457 . 0 0 "[ . 1 . 2]" 1
1266 2 50 LYS HE3 2 53 TRP HE3 . . 4.030 3.830 3.355 4.041 0.011 13 0 "[ . 1 . 2]" 1
1267 2 50 LYS HE3 2 53 TRP HZ3 . . 4.690 2.227 1.996 2.840 . 0 0 "[ . 1 . 2]" 1
1268 2 50 LYS HE3 2 114 TRP HE1 . . 4.310 3.748 3.284 4.173 . 0 0 "[ . 1 . 2]" 1
1269 2 50 LYS HE3 2 114 TRP HZ2 . . 4.460 3.293 2.730 3.826 . 0 0 "[ . 1 . 2]" 1
1270 2 50 LYS HG2 2 51 GLU H . . 4.000 3.411 3.068 4.616 0.616 15 1 "[ . 1 + 2]" 1
1271 2 50 LYS HG3 2 51 GLU H . . 4.650 3.869 3.215 4.024 . 0 0 "[ . 1 . 2]" 1
1272 2 50 LYS HG3 2 53 TRP HE3 . . 4.480 3.252 3.007 4.759 0.279 15 0 "[ . 1 . 2]" 1
1273 2 50 LYS HG3 2 53 TRP HZ3 . . 4.450 3.520 3.144 5.062 0.612 15 1 "[ . 1 + 2]" 1
1274 2 51 GLU H 2 51 GLU HB2 . . 3.660 2.196 2.061 2.431 . 0 0 "[ . 1 . 2]" 1
1275 2 51 GLU H 2 51 GLU HB3 . . 3.450 3.451 3.332 3.588 0.138 3 0 "[ . 1 . 2]" 1
1276 2 51 GLU H 2 51 GLU HG2 . . 3.740 3.508 2.918 3.736 . 0 0 "[ . 1 . 2]" 1
1277 2 51 GLU H 2 51 GLU HG3 . . 3.670 3.101 2.212 3.671 0.001 12 0 "[ . 1 . 2]" 1
1278 2 51 GLU H 2 52 ASP H . . 3.650 2.463 2.353 2.550 . 0 0 "[ . 1 . 2]" 1
1279 2 51 GLU H 2 53 TRP H . . 4.510 4.201 4.080 4.336 . 0 0 "[ . 1 . 2]" 1
1280 2 51 GLU HA 2 51 GLU HG2 . . 3.370 2.170 1.977 2.617 . 0 0 "[ . 1 . 2]" 1
1281 2 51 GLU HA 2 51 GLU HG3 . . 3.680 3.198 2.839 3.551 . 0 0 "[ . 1 . 2]" 1
1282 2 51 GLU HA 2 53 TRP H . . 4.480 4.119 3.417 4.477 . 0 0 "[ . 1 . 2]" 1
1283 2 51 GLU HB2 2 52 ASP H . . 4.530 3.226 2.906 3.625 . 0 0 "[ . 1 . 2]" 1
1284 2 51 GLU HB3 2 52 ASP H . . 4.190 3.768 3.400 4.358 0.168 3 0 "[ . 1 . 2]" 1
1285 2 51 GLU HG2 2 52 ASP H . . 5.170 5.037 4.762 5.205 0.035 13 0 "[ . 1 . 2]" 1
1286 2 52 ASP H 2 52 ASP HB2 . . 3.840 2.140 2.013 2.359 . 0 0 "[ . 1 . 2]" 1
1287 2 52 ASP H 2 52 ASP HB3 . . 3.600 3.183 2.555 3.517 . 0 0 "[ . 1 . 2]" 1
1288 2 52 ASP H 2 53 TRP H . . 3.190 2.595 2.267 2.780 . 0 0 "[ . 1 . 2]" 1
1289 2 52 ASP H 2 53 TRP HB2 . . 5.280 4.941 4.528 5.145 . 0 0 "[ . 1 . 2]" 1
1290 2 52 ASP HB3 2 53 TRP H . . 4.020 3.055 2.463 3.885 . 0 0 "[ . 1 . 2]" 1
1291 2 52 ASP HB3 2 53 TRP HD1 . . 4.350 3.426 3.022 3.944 . 0 0 "[ . 1 . 2]" 1
1292 2 53 TRP H 2 53 TRP HB2 . . 3.670 2.654 2.533 2.712 . 0 0 "[ . 1 . 2]" 1
1293 2 53 TRP H 2 53 TRP HB3 . . 3.730 3.543 3.528 3.625 . 0 0 "[ . 1 . 2]" 1
1294 2 53 TRP H 2 53 TRP HE1 . . 5.320 4.545 4.382 5.219 . 0 0 "[ . 1 . 2]" 1
1295 2 53 TRP H 2 54 PRO HD2 . . 4.820 4.908 4.850 4.975 0.155 3 0 "[ . 1 . 2]" 1
1296 2 53 TRP HA 2 53 TRP HD1 . . 3.450 2.425 2.354 2.484 . 0 0 "[ . 1 . 2]" 1
1297 2 53 TRP HA 2 53 TRP HE1 . . 5.050 5.001 4.938 5.061 0.011 4 0 "[ . 1 . 2]" 1
1298 2 53 TRP HA 2 54 PRO HD2 . . 3.430 2.229 2.213 2.244 . 0 0 "[ . 1 . 2]" 1
1299 2 53 TRP HA 2 54 PRO HG2 . . 4.650 4.366 4.366 4.368 . 0 0 "[ . 1 . 2]" 1
1300 2 53 TRP HA 2 54 PRO HG3 . . 4.240 4.278 4.258 4.307 0.067 13 0 "[ . 1 . 2]" 1
1301 2 53 TRP HB2 2 53 TRP HE3 . . 3.960 2.455 2.422 2.521 . 0 0 "[ . 1 . 2]" 1
1302 2 53 TRP HB3 2 53 TRP HE3 . . 4.080 3.385 3.283 3.444 . 0 0 "[ . 1 . 2]" 1
1303 2 53 TRP HD1 2 54 PRO HD2 . . 4.300 4.201 4.074 4.330 0.030 4 0 "[ . 1 . 2]" 1
1304 2 53 TRP HE3 2 114 TRP HB2 . . 4.650 3.174 2.901 3.487 . 0 0 "[ . 1 . 2]" 1
1305 2 53 TRP HE3 2 114 TRP HB3 . . 4.440 3.341 3.098 3.681 . 0 0 "[ . 1 . 2]" 1
1306 2 53 TRP HE3 2 114 TRP HE3 . . 4.760 4.322 3.827 4.686 . 0 0 "[ . 1 . 2]" 1
1307 2 53 TRP HH2 2 114 TRP HE3 . . 4.660 3.783 3.332 4.231 . 0 0 "[ . 1 . 2]" 1
1308 2 53 TRP HH2 2 114 TRP HZ3 . . 4.240 3.445 2.636 4.036 . 0 0 "[ . 1 . 2]" 1
1309 2 53 TRP HZ3 2 114 TRP HB2 . . 4.580 3.599 3.355 3.843 . 0 0 "[ . 1 . 2]" 1
1310 2 53 TRP HZ3 2 114 TRP HB3 . . 4.800 4.462 4.237 4.732 . 0 0 "[ . 1 . 2]" 1
1311 2 53 TRP HZ3 2 114 TRP HE3 . . 4.000 3.087 2.565 3.451 . 0 0 "[ . 1 . 2]" 1
1312 2 54 PRO HA 2 55 SER H . . 3.050 2.350 2.250 2.468 . 0 0 "[ . 1 . 2]" 1
1313 2 54 PRO HB2 2 55 SER H . . 4.030 2.940 2.633 3.230 . 0 0 "[ . 1 . 2]" 1
1314 2 54 PRO HB2 2 56 VAL MG1 . . 3.670 3.281 3.129 3.417 . 0 0 "[ . 1 . 2]" 1
1315 2 54 PRO HB3 2 55 SER H . . 3.950 3.522 3.360 3.688 . 0 0 "[ . 1 . 2]" 1
1316 2 54 PRO HG2 2 55 SER H . . 5.030 4.899 4.661 5.104 0.074 10 0 "[ . 1 . 2]" 1
1317 2 54 PRO HG2 2 56 VAL MG1 . . 3.990 3.364 3.212 3.602 . 0 0 "[ . 1 . 2]" 1
1318 2 55 SER H 2 55 SER HB3 . . 3.040 2.991 2.716 3.062 0.022 15 0 "[ . 1 . 2]" 1
1319 2 55 SER H 2 56 VAL H . . 4.900 4.573 4.500 4.641 . 0 0 "[ . 1 . 2]" 1
1320 2 55 SER H 2 56 VAL MG1 . . 5.060 4.139 3.971 4.241 . 0 0 "[ . 1 . 2]" 1
1321 2 55 SER HA 2 56 VAL H . . 3.190 2.268 2.222 2.371 . 0 0 "[ . 1 . 2]" 1
1322 2 55 SER HB2 2 56 VAL H . . 3.560 3.434 3.076 4.305 0.745 13 3 "[ . - * + . 2]" 1
1323 2 55 SER HB2 2 70 GLU QB . . 3.780 3.166 2.781 4.510 0.730 10 3 "[ . * + - . 2]" 1
1324 2 55 SER HB2 2 70 GLU HG3 . . 4.100 2.886 2.213 4.586 0.486 13 0 "[ . 1 . 2]" 1
1325 2 56 VAL H 2 56 VAL MG1 . . 3.910 2.999 2.817 3.200 . 0 0 "[ . 1 . 2]" 1
1326 2 56 VAL H 2 56 VAL MG2 . . 3.320 2.172 2.006 2.494 . 0 0 "[ . 1 . 2]" 1
1327 2 56 VAL H 2 57 ASN H . . 4.810 4.402 4.351 4.445 . 0 0 "[ . 1 . 2]" 1
1328 2 56 VAL HA 2 56 VAL MG1 . . 3.250 2.310 2.203 2.414 . 0 0 "[ . 1 . 2]" 1
1329 2 56 VAL HA 2 56 VAL MG2 . . 3.530 3.216 3.205 3.220 . 0 0 "[ . 1 . 2]" 1
1330 2 56 VAL HA 2 57 ASN H . . 3.570 2.603 2.473 2.715 . 0 0 "[ . 1 . 2]" 1
1331 2 56 VAL HA 2 67 VAL MG1 . . 4.130 4.088 3.838 4.169 0.039 1 0 "[ . 1 . 2]" 1
1332 2 56 VAL HA 2 69 SER HA . . 3.930 3.286 3.031 3.573 . 0 0 "[ . 1 . 2]" 1
1333 2 56 VAL HA 2 70 GLU H . . 3.810 2.387 2.064 2.706 . 0 0 "[ . 1 . 2]" 1
1334 2 56 VAL HA 2 70 GLU HA . . 4.550 3.562 3.248 4.047 . 0 0 "[ . 1 . 2]" 1
1335 2 56 VAL HA 2 70 GLU QB . . 4.200 2.639 2.489 2.762 . 0 0 "[ . 1 . 2]" 1
1336 2 56 VAL HA 2 70 GLU HG3 . . 3.970 3.300 2.948 3.689 . 0 0 "[ . 1 . 2]" 1
1337 2 56 VAL HB 2 57 ASN H . . 3.520 2.257 2.105 2.476 . 0 0 "[ . 1 . 2]" 1
1338 2 56 VAL HB 2 67 VAL MG1 . . 3.410 2.064 1.878 2.184 . 0 0 "[ . 1 . 2]" 1
1339 2 56 VAL HB 2 68 ILE H . . 4.750 4.468 4.360 4.655 . 0 0 "[ . 1 . 2]" 1
1340 2 56 VAL HB 2 69 SER HA . . 4.540 3.812 3.533 4.114 . 0 0 "[ . 1 . 2]" 1
1341 2 56 VAL MG1 2 57 ASN H . . 3.710 3.707 3.652 3.754 0.044 16 0 "[ . 1 . 2]" 1
1342 2 56 VAL MG1 2 69 SER HA . . 3.430 3.168 2.900 3.378 . 0 0 "[ . 1 . 2]" 1
1343 2 56 VAL MG1 2 70 GLU H . . 3.910 3.382 3.079 3.640 . 0 0 "[ . 1 . 2]" 1
1344 2 56 VAL MG2 2 57 ASN H . . 3.660 3.186 2.803 3.533 . 0 0 "[ . 1 . 2]" 1
1345 2 57 ASN H 2 57 ASN HB2 . . 3.770 2.568 2.437 2.724 . 0 0 "[ . 1 . 2]" 1
1346 2 57 ASN H 2 57 ASN HB3 . . 3.940 3.713 3.634 3.801 . 0 0 "[ . 1 . 2]" 1
1347 2 57 ASN H 2 57 ASN HD21 . . 4.860 4.429 3.858 4.798 . 0 0 "[ . 1 . 2]" 1
1348 2 57 ASN H 2 58 MET H . . 4.800 4.139 4.031 4.238 . 0 0 "[ . 1 . 2]" 1
1349 2 57 ASN H 2 68 ILE HB . . 4.950 4.302 4.160 4.556 . 0 0 "[ . 1 . 2]" 1
1350 2 57 ASN H 2 68 ILE MG . . 5.130 4.952 4.734 5.148 0.018 16 0 "[ . 1 . 2]" 1
1351 2 57 ASN H 2 69 SER HA . . 4.710 3.860 3.661 4.035 . 0 0 "[ . 1 . 2]" 1
1352 2 57 ASN H 2 70 GLU H . . 4.770 3.930 3.503 4.445 . 0 0 "[ . 1 . 2]" 1
1353 2 57 ASN H 2 70 GLU HG3 . . 4.580 4.550 4.435 4.611 0.031 17 0 "[ . 1 . 2]" 1
1354 2 57 ASN HA 2 58 MET H . . 3.140 2.260 2.253 2.264 . 0 0 "[ . 1 . 2]" 1
1355 2 57 ASN HA 2 58 MET HB3 . . 4.490 4.474 4.412 4.555 0.065 6 0 "[ . 1 . 2]" 1
1356 2 57 ASN HB2 2 58 MET H . . 4.570 4.446 4.347 4.516 . 0 0 "[ . 1 . 2]" 1
1357 2 57 ASN HB2 2 68 ILE H . . 5.200 3.151 2.917 3.341 . 0 0 "[ . 1 . 2]" 1
1358 2 57 ASN HB2 2 68 ILE HB . . 3.950 2.746 2.517 2.887 . 0 0 "[ . 1 . 2]" 1
1359 2 57 ASN HB2 2 68 ILE MD . . 4.240 4.229 4.129 4.281 0.041 9 0 "[ . 1 . 2]" 1
1360 2 57 ASN HB2 2 68 ILE HG13 . . 4.610 4.403 3.954 4.586 . 0 0 "[ . 1 . 2]" 1
1361 2 57 ASN HB2 2 68 ILE MG . . 4.250 4.014 3.666 4.244 . 0 0 "[ . 1 . 2]" 1
1362 2 57 ASN HB3 2 58 MET H . . 4.310 3.741 3.662 3.785 . 0 0 "[ . 1 . 2]" 1
1363 2 57 ASN HB3 2 68 ILE HB . . 4.260 3.987 3.447 4.268 0.008 13 0 "[ . 1 . 2]" 1
1364 2 57 ASN HD21 2 68 ILE HB . . 4.720 3.675 3.450 3.886 . 0 0 "[ . 1 . 2]" 1
1365 2 57 ASN HD21 2 68 ILE MD . . 4.650 4.635 4.468 4.677 0.027 17 0 "[ . 1 . 2]" 1
1366 2 57 ASN HD21 2 70 GLU HA . . 4.050 2.988 2.860 3.210 . 0 0 "[ . 1 . 2]" 1
1367 2 57 ASN HD21 2 70 GLU HG2 . . 4.290 4.190 3.789 4.313 0.023 13 0 "[ . 1 . 2]" 1
1368 2 57 ASN HD22 2 70 GLU HA . . 4.120 2.166 1.978 2.342 . 0 0 "[ . 1 . 2]" 1
1369 2 57 ASN HD22 2 70 GLU HG2 . . 4.000 2.737 2.346 2.959 . 0 0 "[ . 1 . 2]" 1
1370 2 58 MET H 2 58 MET HB2 . . 4.140 2.782 2.673 2.892 . 0 0 "[ . 1 . 2]" 1
1371 2 58 MET H 2 58 MET HB3 . . 4.000 2.241 2.182 2.323 . 0 0 "[ . 1 . 2]" 1
1372 2 58 MET H 2 58 MET ME . . 4.550 4.269 4.087 4.563 0.013 6 0 "[ . 1 . 2]" 1
1373 2 58 MET H 2 58 MET HG3 . . 4.560 4.426 4.272 4.483 . 0 0 "[ . 1 . 2]" 1
1374 2 58 MET H 2 59 ASN H . . 4.810 4.322 4.249 4.388 . 0 0 "[ . 1 . 2]" 1
1375 2 58 MET HA 2 58 MET ME . . 4.070 3.531 3.293 3.987 . 0 0 "[ . 1 . 2]" 1
1376 2 58 MET HA 2 59 ASN H . . 3.430 2.228 2.211 2.246 . 0 0 "[ . 1 . 2]" 1
1377 2 58 MET HA 2 59 ASN QB . . 4.570 4.266 4.176 4.363 . 0 0 "[ . 1 . 2]" 1
1378 2 58 MET HB2 2 58 MET ME . . 3.210 1.980 1.877 2.348 . 0 0 "[ . 1 . 2]" 1
1379 2 58 MET HB2 2 59 ASN H . . 4.810 4.472 4.389 4.542 . 0 0 "[ . 1 . 2]" 1
1380 2 58 MET HB2 2 65 VAL MG1 . . 4.650 4.390 4.085 4.591 . 0 0 "[ . 1 . 2]" 1
1381 2 58 MET HB2 2 67 VAL MG2 . . 3.820 3.138 2.604 3.441 . 0 0 "[ . 1 . 2]" 1
1382 2 58 MET HB3 2 58 MET ME . . 3.350 2.980 2.868 3.081 . 0 0 "[ . 1 . 2]" 1
1383 2 58 MET HB3 2 59 ASN H . . 4.750 4.573 4.518 4.613 . 0 0 "[ . 1 . 2]" 1
1384 2 58 MET HB3 2 60 VAL MG2 . . 3.870 3.753 3.551 3.880 0.010 16 0 "[ . 1 . 2]" 1
1385 2 58 MET ME 2 58 MET HG3 . . 3.090 2.649 2.454 3.339 0.249 10 0 "[ . 1 . 2]" 1
1386 2 58 MET ME 2 65 VAL MG1 . . 3.030 2.990 2.805 3.063 0.033 11 0 "[ . 1 . 2]" 1
1387 2 58 MET ME 2 67 VAL MG2 . . 2.770 2.606 2.221 2.816 0.046 11 0 "[ . 1 . 2]" 1
1388 2 58 MET ME 2 97 PHE QD . . 3.070 2.708 2.306 2.908 . 0 0 "[ . 1 . 2]" 1
1389 2 58 MET ME 2 97 PHE QE . . 3.090 2.931 2.558 3.104 0.014 18 0 "[ . 1 . 2]" 1
1390 2 58 MET ME 2 113 PHE HB2 . . 3.910 3.418 3.282 3.618 . 0 0 "[ . 1 . 2]" 1
1391 2 58 MET ME 2 113 PHE HB3 . . 3.960 3.481 3.250 3.682 . 0 0 "[ . 1 . 2]" 1
1392 2 58 MET ME 2 113 PHE QD . . 3.470 2.899 2.753 3.079 . 0 0 "[ . 1 . 2]" 1
1393 2 58 MET ME 2 113 PHE HZ . . 3.510 3.543 3.440 3.580 0.070 11 0 "[ . 1 . 2]" 1
1394 2 58 MET ME 2 122 VAL QG . . 3.070 2.864 2.767 3.028 . 0 0 "[ . 1 . 2]" 1
1395 2 58 MET HG2 2 122 VAL QG . . 4.340 3.865 3.419 4.023 . 0 0 "[ . 1 . 2]" 1
1396 2 58 MET HG3 2 59 ASN H . . 4.160 3.472 3.276 3.671 . 0 0 "[ . 1 . 2]" 1
1397 2 58 MET HG3 2 60 VAL MG2 . . 2.820 2.679 2.181 2.864 0.044 5 0 "[ . 1 . 2]" 1
1398 2 58 MET HG3 2 65 VAL MG1 . . 3.150 2.536 2.189 3.128 . 0 0 "[ . 1 . 2]" 1
1399 2 58 MET HG3 2 66 THR H . . 4.960 4.345 4.086 4.621 . 0 0 "[ . 1 . 2]" 1
1400 2 59 ASN H 2 59 ASN QB . . 3.750 2.188 2.103 2.307 . 0 0 "[ . 1 . 2]" 1
1401 2 59 ASN H 2 59 ASN HD21 . . 4.910 3.366 1.895 4.807 . 0 0 "[ . 1 . 2]" 1
1402 2 59 ASN H 2 60 VAL H . . 5.120 4.538 4.456 4.588 . 0 0 "[ . 1 . 2]" 1
1403 2 59 ASN H 2 65 VAL HA . . 5.010 4.688 4.476 4.811 . 0 0 "[ . 1 . 2]" 1
1404 2 59 ASN H 2 65 VAL MG1 . . 4.390 4.330 4.043 4.411 0.021 7 0 "[ . 1 . 2]" 1
1405 2 59 ASN H 2 66 THR H . . 4.240 3.258 2.992 3.430 . 0 0 "[ . 1 . 2]" 1
1406 2 59 ASN H 2 66 THR HB . . 4.190 3.766 3.572 3.981 . 0 0 "[ . 1 . 2]" 1
1407 2 59 ASN H 2 66 THR MG . . 4.670 4.483 4.281 4.593 . 0 0 "[ . 1 . 2]" 1
1408 2 59 ASN H 2 67 VAL MG2 . . 4.280 3.922 3.629 4.101 . 0 0 "[ . 1 . 2]" 1
1409 2 59 ASN H 2 68 ILE H . . 4.990 3.486 3.336 3.609 . 0 0 "[ . 1 . 2]" 1
1410 2 59 ASN H 2 68 ILE MD . . 4.680 4.448 4.218 4.691 0.011 16 0 "[ . 1 . 2]" 1
1411 2 59 ASN HA 2 60 VAL H . . 3.160 2.271 2.252 2.291 . 0 0 "[ . 1 . 2]" 1
1412 2 59 ASN HA 2 60 VAL HB . . 4.680 4.659 4.566 4.709 0.029 5 0 "[ . 1 . 2]" 1
1413 2 59 ASN HA 2 60 VAL MG2 . . 4.130 3.488 3.382 3.691 . 0 0 "[ . 1 . 2]" 1
1414 2 59 ASN QB 2 60 VAL H . . 4.270 3.301 3.170 3.486 . 0 0 "[ . 1 . 2]" 1
1415 2 59 ASN QB 2 61 ALA MB . . 4.630 4.010 3.887 4.092 . 0 0 "[ . 1 . 2]" 1
1416 2 59 ASN QB 2 66 THR H . . 4.440 2.586 2.384 2.750 . 0 0 "[ . 1 . 2]" 1
1417 2 59 ASN QB 2 66 THR HB . . 3.460 2.140 1.982 2.297 . 0 0 "[ . 1 . 2]" 1
1418 2 59 ASN QB 2 66 THR MG . . 4.740 3.534 3.380 3.651 . 0 0 "[ . 1 . 2]" 1
1419 2 59 ASN QB 2 68 ILE MD . . 4.030 3.155 2.863 3.337 . 0 0 "[ . 1 . 2]" 1
1420 2 59 ASN QB 2 68 ILE HG13 . . 4.590 3.274 3.074 3.513 . 0 0 "[ . 1 . 2]" 1
1421 2 59 ASN HD21 2 66 THR HB . . 4.660 3.711 3.279 4.254 . 0 0 "[ . 1 . 2]" 1
1422 2 59 ASN HD21 2 66 THR MG . . 4.560 4.293 4.015 4.541 . 0 0 "[ . 1 . 2]" 1
1423 2 59 ASN HD21 2 68 ILE MD . . 3.880 2.623 2.151 3.219 . 0 0 "[ . 1 . 2]" 1
1424 2 59 ASN HD21 2 68 ILE HG12 . . 4.730 4.430 3.942 4.736 0.006 16 0 "[ . 1 . 2]" 1
1425 2 59 ASN HD21 2 68 ILE HG13 . . 4.590 3.178 2.251 4.021 . 0 0 "[ . 1 . 2]" 1
1426 2 59 ASN HD22 2 68 ILE HB . . 4.940 3.497 2.048 4.875 . 0 0 "[ . 1 . 2]" 1
1427 2 59 ASN HD22 2 68 ILE MD . . 3.810 2.080 1.878 2.424 . 0 0 "[ . 1 . 2]" 1
1428 2 59 ASN HD22 2 68 ILE HG12 . . 4.740 4.437 3.810 4.769 0.029 16 0 "[ . 1 . 2]" 1
1429 2 59 ASN HD22 2 68 ILE HG13 . . 4.420 3.358 2.457 4.007 . 0 0 "[ . 1 . 2]" 1
1430 2 60 VAL H 2 60 VAL HB . . 3.790 2.706 2.594 2.798 . 0 0 "[ . 1 . 2]" 1
1431 2 60 VAL H 2 60 VAL MG2 . . 3.520 2.747 2.588 2.921 . 0 0 "[ . 1 . 2]" 1
1432 2 60 VAL H 2 61 ALA H . . 4.820 3.988 3.846 4.143 . 0 0 "[ . 1 . 2]" 1
1433 2 60 VAL H 2 61 ALA MB . . 4.750 4.445 3.812 4.763 0.013 10 0 "[ . 1 . 2]" 1
1434 2 60 VAL HA 2 60 VAL MG1 . . 3.280 2.274 2.228 2.335 . 0 0 "[ . 1 . 2]" 1
1435 2 60 VAL HA 2 60 VAL MG2 . . 3.400 2.422 2.311 2.505 . 0 0 "[ . 1 . 2]" 1
1436 2 60 VAL HA 2 61 ALA H . . 3.150 2.211 2.190 2.236 . 0 0 "[ . 1 . 2]" 1
1437 2 60 VAL HA 2 61 ALA MB . . 4.040 4.024 3.980 4.073 0.033 7 0 "[ . 1 . 2]" 1
1438 2 60 VAL HA 2 65 VAL HA . . 4.210 2.861 2.628 2.962 . 0 0 "[ . 1 . 2]" 1
1439 2 60 VAL HA 2 65 VAL MG2 . . 3.710 3.084 2.928 3.193 . 0 0 "[ . 1 . 2]" 1
1440 2 60 VAL HA 2 66 THR H . . 4.590 3.950 3.743 4.045 . 0 0 "[ . 1 . 2]" 1
1441 2 60 VAL HB 2 61 ALA H . . 4.910 4.461 4.407 4.522 . 0 0 "[ . 1 . 2]" 1
1442 2 60 VAL HB 2 125 ALA MB . . 4.260 2.773 2.514 3.002 . 0 0 "[ . 1 . 2]" 1
1443 2 60 VAL MG1 2 61 ALA H . . 3.630 3.134 2.971 3.266 . 0 0 "[ . 1 . 2]" 1
1444 2 60 VAL MG1 2 125 ALA HA . . 4.120 3.333 3.100 3.644 . 0 0 "[ . 1 . 2]" 1
1445 2 60 VAL MG1 2 125 ALA MB . . 3.050 2.198 1.986 2.622 . 0 0 "[ . 1 . 2]" 1
1446 2 60 VAL MG1 2 126 VAL HA . . 3.530 2.699 2.517 2.895 . 0 0 "[ . 1 . 2]" 1
1447 2 60 VAL MG1 2 129 ALA H . . 4.110 4.022 3.735 4.124 0.014 19 0 "[ . 1 . 2]" 1
1448 2 60 VAL MG1 2 129 ALA HA . . 4.320 4.250 4.087 4.339 0.019 9 0 "[ . 1 . 2]" 1
1449 2 60 VAL MG1 2 129 ALA MB . . 2.820 2.376 2.171 2.477 . 0 0 "[ . 1 . 2]" 1
1450 2 60 VAL MG2 2 65 VAL HA . . 4.000 3.024 2.710 3.256 . 0 0 "[ . 1 . 2]" 1
1451 2 60 VAL MG2 2 66 THR H . . 4.370 4.106 3.914 4.276 . 0 0 "[ . 1 . 2]" 1
1452 2 60 VAL MG2 2 125 ALA MB . . 3.360 2.542 2.196 2.851 . 0 0 "[ . 1 . 2]" 1
1453 2 60 VAL MG2 2 126 VAL HA . . 4.340 3.994 3.703 4.160 . 0 0 "[ . 1 . 2]" 1
1454 2 61 ALA H 2 61 ALA MB . . 3.250 2.319 2.088 2.801 . 0 0 "[ . 1 . 2]" 1
1455 2 61 ALA H 2 62 ASP H . . 4.590 4.219 3.942 4.397 . 0 0 "[ . 1 . 2]" 1
1456 2 61 ALA H 2 64 THR H . . 4.030 2.900 2.338 3.143 . 0 0 "[ . 1 . 2]" 1
1457 2 61 ALA H 2 64 THR HB . . 4.400 3.244 2.948 3.877 . 0 0 "[ . 1 . 2]" 1
1458 2 61 ALA H 2 65 VAL MG2 . . 4.180 4.196 4.063 4.270 0.090 9 0 "[ . 1 . 2]" 1
1459 2 61 ALA H 2 66 THR H . . 5.050 4.861 4.560 5.030 . 0 0 "[ . 1 . 2]" 1
1460 2 61 ALA MB 2 62 ASP H . . 3.230 1.941 1.819 2.524 . 0 0 "[ . 1 . 2]" 1
1461 2 61 ALA MB 2 62 ASP HB2 . . 4.120 3.725 3.201 4.470 0.350 9 0 "[ . 1 . 2]" 1
1462 2 61 ALA MB 2 62 ASP HB3 . . 4.200 3.882 3.395 4.311 0.111 3 0 "[ . 1 . 2]" 1
1463 2 61 ALA MB 2 64 THR H . . 3.920 3.670 3.408 4.239 0.319 20 0 "[ . 1 . 2]" 1
1464 2 61 ALA MB 2 64 THR HB . . 4.270 2.784 2.075 4.266 . 0 0 "[ . 1 . 2]" 1
1465 2 62 ASP H 2 62 ASP HB2 . . 3.820 2.460 2.054 3.508 . 0 0 "[ . 1 . 2]" 1
1466 2 62 ASP H 2 62 ASP HB3 . . 3.940 2.915 2.391 3.813 . 0 0 "[ . 1 . 2]" 1
1467 2 62 ASP H 2 63 ALA H . . 4.230 3.225 2.882 3.578 . 0 0 "[ . 1 . 2]" 1
1468 2 62 ASP HB2 2 63 ALA H . . 4.390 3.203 1.948 4.406 0.016 20 0 "[ . 1 . 2]" 1
1469 2 62 ASP HB3 2 63 ALA H . . 4.420 2.376 1.938 4.117 . 0 0 "[ . 1 . 2]" 1
1470 2 63 ALA H 2 63 ALA MB . . 3.420 2.611 2.461 2.863 . 0 0 "[ . 1 . 2]" 1
1471 2 63 ALA H 2 64 THR H . . 3.590 3.041 2.713 3.202 . 0 0 "[ . 1 . 2]" 1
1472 2 63 ALA HA 2 82 VAL MG1 . . 3.660 2.765 2.423 2.956 . 0 0 "[ . 1 . 2]" 1
1473 2 63 ALA MB 2 64 THR H . . 3.850 3.782 3.775 3.792 . 0 0 "[ . 1 . 2]" 1
1474 2 63 ALA MB 2 82 VAL H . . 4.240 4.117 3.956 4.270 0.030 20 0 "[ . 1 . 2]" 1
1475 2 63 ALA MB 2 82 VAL HB . . 4.130 2.997 2.721 3.801 . 0 0 "[ . 1 . 2]" 1
1476 2 63 ALA MB 2 82 VAL MG1 . . 3.070 1.907 1.664 2.781 . 0 0 "[ . 1 . 2]" 1
1477 2 64 THR H 2 64 THR HB . . 3.520 2.947 2.817 3.045 . 0 0 "[ . 1 . 2]" 1
1478 2 64 THR H 2 64 THR MG . . 4.140 3.970 3.926 4.023 . 0 0 "[ . 1 . 2]" 1
1479 2 64 THR H 2 65 VAL H . . 5.070 4.228 4.069 4.305 . 0 0 "[ . 1 . 2]" 1
1480 2 64 THR H 2 82 VAL MG1 . . 4.470 4.165 3.031 4.476 0.006 20 0 "[ . 1 . 2]" 1
1481 2 64 THR HA 2 64 THR MG . . 3.200 2.421 2.292 2.543 . 0 0 "[ . 1 . 2]" 1
1482 2 64 THR HA 2 65 VAL H . . 3.390 2.222 2.154 2.284 . 0 0 "[ . 1 . 2]" 1
1483 2 64 THR HA 2 65 VAL HB . . 4.440 4.318 4.244 4.406 . 0 0 "[ . 1 . 2]" 1
1484 2 64 THR HA 2 65 VAL MG2 . . 3.790 3.743 3.625 3.830 0.040 9 0 "[ . 1 . 2]" 1
1485 2 64 THR HA 2 82 VAL H . . 3.990 2.198 1.934 2.957 . 0 0 "[ . 1 . 2]" 1
1486 2 64 THR HA 2 82 VAL MG1 . . 4.180 3.974 2.938 4.237 0.057 16 0 "[ . 1 . 2]" 1
1487 2 64 THR HA 2 82 VAL MG2 . . 4.100 3.745 3.449 4.178 0.078 20 0 "[ . 1 . 2]" 1
1488 2 64 THR HB 2 65 VAL H . . 4.370 4.178 4.010 4.411 0.041 13 0 "[ . 1 . 2]" 1
1489 2 64 THR MG 2 65 VAL H . . 3.330 2.525 2.291 2.934 . 0 0 "[ . 1 . 2]" 1
1490 2 64 THR MG 2 66 THR H . . 5.030 3.518 3.301 3.895 . 0 0 "[ . 1 . 2]" 1
1491 2 64 THR MG 2 79 GLU HG2 . . 3.340 3.224 2.963 3.351 0.011 6 0 "[ . 1 . 2]" 1
1492 2 64 THR MG 2 79 GLU HG3 . . 3.920 3.808 3.634 3.941 0.021 13 0 "[ . 1 . 2]" 1
1493 2 64 THR MG 2 80 CYS H . . 4.470 4.440 4.298 4.517 0.047 12 0 "[ . 1 . 2]" 1
1494 2 64 THR MG 2 81 ARG H . . 5.140 4.634 4.145 5.141 0.001 12 0 "[ . 1 . 2]" 1
1495 2 64 THR MG 2 81 ARG QD . . 3.840 2.455 1.937 3.336 . 0 0 "[ . 1 . 2]" 1
1496 2 64 THR MG 2 81 ARG QG . . 3.190 3.089 2.874 3.164 . 0 0 "[ . 1 . 2]" 1
1497 2 64 THR MG 2 82 VAL H . . 4.710 3.809 3.404 4.680 . 0 0 "[ . 1 . 2]" 1
1498 2 65 VAL H 2 65 VAL HB . . 3.740 2.535 2.371 2.606 . 0 0 "[ . 1 . 2]" 1
1499 2 65 VAL H 2 65 VAL MG2 . . 3.400 3.063 2.862 3.195 . 0 0 "[ . 1 . 2]" 1
1500 2 65 VAL H 2 66 THR H . . 4.990 3.952 3.845 4.205 . 0 0 "[ . 1 . 2]" 1
1501 2 65 VAL H 2 80 CYS H . . 4.300 3.744 3.466 3.952 . 0 0 "[ . 1 . 2]" 1
1502 2 65 VAL H 2 80 CYS HB2 . . 5.200 5.219 5.180 5.274 0.074 17 0 "[ . 1 . 2]" 1
1503 2 65 VAL H 2 80 CYS HB3 . . 4.790 3.792 3.678 3.931 . 0 0 "[ . 1 . 2]" 1
1504 2 65 VAL H 2 82 VAL H . . 4.820 3.228 2.943 3.714 . 0 0 "[ . 1 . 2]" 1
1505 2 65 VAL H 2 82 VAL MG2 . . 4.460 4.524 4.266 4.984 0.524 8 1 "[ . + 1 . 2]" 1
1506 2 65 VAL HA 2 65 VAL MG2 . . 3.020 2.241 2.174 2.295 . 0 0 "[ . 1 . 2]" 1
1507 2 65 VAL HA 2 66 THR H . . 3.320 2.233 2.203 2.248 . 0 0 "[ . 1 . 2]" 1
1508 2 65 VAL HB 2 66 THR H . . 4.800 4.579 4.548 4.601 . 0 0 "[ . 1 . 2]" 1
1509 2 65 VAL HB 2 80 CYS H . . 4.370 3.656 3.327 3.880 . 0 0 "[ . 1 . 2]" 1
1510 2 65 VAL HB 2 80 CYS HB2 . . 3.830 3.810 3.692 3.868 0.038 16 0 "[ . 1 . 2]" 1
1511 2 65 VAL HB 2 80 CYS HB3 . . 3.790 2.095 1.990 2.194 . 0 0 "[ . 1 . 2]" 1
1512 2 65 VAL MG1 2 66 THR H . . 3.360 3.261 3.087 3.321 . 0 0 "[ . 1 . 2]" 1
1513 2 65 VAL MG1 2 66 THR HA . . 4.320 3.848 3.756 3.950 . 0 0 "[ . 1 . 2]" 1
1514 2 65 VAL MG1 2 80 CYS H . . 4.070 3.405 3.212 3.661 . 0 0 "[ . 1 . 2]" 1
1515 2 65 VAL MG1 2 80 CYS HB2 . . 4.110 3.099 2.903 3.343 . 0 0 "[ . 1 . 2]" 1
1516 2 65 VAL MG1 2 80 CYS HB3 . . 3.790 2.185 2.017 2.396 . 0 0 "[ . 1 . 2]" 1
1517 2 65 VAL MG1 2 80 CYS HG . . 5.170 4.611 4.398 4.775 . 0 0 "[ . 1 . 2]" 1
1518 2 65 VAL MG1 2 99 PHE QD . . 4.080 3.897 3.754 4.091 0.011 14 0 "[ . 1 . 2]" 1
1519 2 65 VAL MG1 2 99 PHE QE . . 3.610 3.281 3.181 3.438 . 0 0 "[ . 1 . 2]" 1
1520 2 65 VAL MG1 2 99 PHE HZ . . 3.740 3.756 3.725 3.794 0.054 9 0 "[ . 1 . 2]" 1
1521 2 65 VAL MG2 2 82 VAL HA . . 4.410 4.074 3.694 4.428 0.018 9 0 "[ . 1 . 2]" 1
1522 2 66 THR H 2 66 THR HB . . 3.450 2.572 2.479 2.632 . 0 0 "[ . 1 . 2]" 1
1523 2 66 THR H 2 66 THR MG . . 4.040 3.827 3.796 3.852 . 0 0 "[ . 1 . 2]" 1
1524 2 66 THR H 2 67 VAL H . . 4.970 4.497 4.431 4.550 . 0 0 "[ . 1 . 2]" 1
1525 2 66 THR HA 2 66 THR MG . . 3.210 2.271 2.187 2.357 . 0 0 "[ . 1 . 2]" 1
1526 2 66 THR HA 2 67 VAL H . . 3.440 2.238 2.172 2.313 . 0 0 "[ . 1 . 2]" 1
1527 2 66 THR HA 2 67 VAL MG2 . . 4.240 3.473 3.251 3.813 . 0 0 "[ . 1 . 2]" 1
1528 2 66 THR HA 2 80 CYS H . . 4.320 2.783 2.542 3.056 . 0 0 "[ . 1 . 2]" 1
1529 2 66 THR HB 2 67 VAL H . . 4.630 4.054 3.882 4.245 . 0 0 "[ . 1 . 2]" 1
1530 2 66 THR HB 2 68 ILE MD . . 3.650 3.496 3.281 3.665 0.015 18 0 "[ . 1 . 2]" 1
1531 2 66 THR HB 2 68 ILE HG12 . . 4.210 4.129 3.886 4.217 0.007 12 0 "[ . 1 . 2]" 1
1532 2 66 THR HB 2 68 ILE HG13 . . 4.300 3.459 3.244 3.727 . 0 0 "[ . 1 . 2]" 1
1533 2 66 THR MG 2 67 VAL H . . 3.360 2.504 2.306 2.803 . 0 0 "[ . 1 . 2]" 1
1534 2 66 THR MG 2 68 ILE MD . . 3.220 3.181 2.953 3.248 0.028 12 0 "[ . 1 . 2]" 1
1535 2 66 THR MG 2 68 ILE HG12 . . 3.150 2.500 2.188 2.710 . 0 0 "[ . 1 . 2]" 1
1536 2 66 THR MG 2 68 ILE HG13 . . 3.680 2.718 2.413 3.041 . 0 0 "[ . 1 . 2]" 1
1537 2 66 THR MG 2 78 VAL H . . 4.570 3.576 3.389 3.766 . 0 0 "[ . 1 . 2]" 1
1538 2 66 THR MG 2 79 GLU H . . 4.690 4.291 4.086 4.536 . 0 0 "[ . 1 . 2]" 1
1539 2 66 THR MG 2 79 GLU HB2 . . 3.580 3.233 2.958 3.590 0.010 9 0 "[ . 1 . 2]" 1
1540 2 66 THR MG 2 79 GLU HG2 . . 3.870 3.453 3.192 3.692 . 0 0 "[ . 1 . 2]" 1
1541 2 66 THR MG 2 79 GLU HG3 . . 3.700 2.121 1.831 2.464 . 0 0 "[ . 1 . 2]" 1
1542 2 66 THR MG 2 80 CYS H . . 4.260 4.181 3.833 4.301 0.041 13 0 "[ . 1 . 2]" 1
1543 2 67 VAL H 2 67 VAL HB . . 3.870 2.442 2.289 2.556 . 0 0 "[ . 1 . 2]" 1
1544 2 67 VAL H 2 67 VAL MG1 . . 4.380 3.752 3.644 3.812 . 0 0 "[ . 1 . 2]" 1
1545 2 67 VAL H 2 67 VAL MG2 . . 3.350 2.712 2.523 2.863 . 0 0 "[ . 1 . 2]" 1
1546 2 67 VAL H 2 78 VAL H . . 4.360 2.455 2.318 2.641 . 0 0 "[ . 1 . 2]" 1
1547 2 67 VAL H 2 78 VAL HB . . 4.130 3.569 3.351 3.744 . 0 0 "[ . 1 . 2]" 1
1548 2 67 VAL H 2 78 VAL MG1 . . 4.090 3.340 3.054 3.549 . 0 0 "[ . 1 . 2]" 1
1549 2 67 VAL HB 2 77 LEU HB3 . . 4.490 4.309 4.076 4.843 0.353 14 0 "[ . 1 . 2]" 1
1550 2 67 VAL HB 2 78 VAL H . . 4.020 2.230 2.063 2.506 . 0 0 "[ . 1 . 2]" 1
1551 2 67 VAL HB 2 78 VAL HB . . 3.440 2.014 1.980 2.109 . 0 0 "[ . 1 . 2]" 1
1552 2 67 VAL HB 2 78 VAL MG1 . . 3.500 3.062 2.787 3.320 . 0 0 "[ . 1 . 2]" 1
1553 2 67 VAL HB 2 78 VAL MG2 . . 3.670 3.662 3.594 3.704 0.034 3 0 "[ . 1 . 2]" 1
1554 2 67 VAL HB 2 113 PHE HZ . . 4.830 3.960 3.538 4.269 . 0 0 "[ . 1 . 2]" 1
1555 2 67 VAL MG1 2 68 ILE H . . 3.400 3.250 3.055 3.386 . 0 0 "[ . 1 . 2]" 1
1556 2 67 VAL MG1 2 77 LEU HB2 . . 3.830 2.172 1.975 2.580 . 0 0 "[ . 1 . 2]" 1
1557 2 67 VAL MG1 2 77 LEU HB3 . . 3.690 3.354 3.176 3.704 0.014 20 0 "[ . 1 . 2]" 1
1558 2 67 VAL MG1 2 77 LEU MD1 . . 2.970 2.248 2.098 2.421 . 0 0 "[ . 1 . 2]" 1
1559 2 67 VAL MG1 2 78 VAL H . . 4.180 3.394 3.110 3.667 . 0 0 "[ . 1 . 2]" 1
1560 2 67 VAL MG1 2 78 VAL HB . . 3.730 3.193 2.962 3.368 . 0 0 "[ . 1 . 2]" 1
1561 2 67 VAL MG1 2 113 PHE QE . . 3.530 2.038 1.966 2.240 . 0 0 "[ . 1 . 2]" 1
1562 2 67 VAL MG2 2 68 ILE H . . 4.260 4.229 4.111 4.280 0.020 9 0 "[ . 1 . 2]" 1
1563 2 67 VAL MG2 2 78 VAL HB . . 3.430 2.649 2.405 3.084 . 0 0 "[ . 1 . 2]" 1
1564 2 67 VAL MG2 2 78 VAL MG1 . . 3.240 2.369 2.114 2.951 . 0 0 "[ . 1 . 2]" 1
1565 2 67 VAL MG2 2 113 PHE QE . . 3.550 2.133 1.896 2.570 . 0 0 "[ . 1 . 2]" 1
1566 2 67 VAL MG2 2 113 PHE HZ . . 3.450 1.967 1.880 2.080 . 0 0 "[ . 1 . 2]" 1
1567 2 68 ILE H 2 68 ILE HB . . 3.460 2.576 2.485 2.725 . 0 0 "[ . 1 . 2]" 1
1568 2 68 ILE H 2 68 ILE MD . . 3.800 3.665 3.582 3.784 . 0 0 "[ . 1 . 2]" 1
1569 2 68 ILE H 2 68 ILE HG12 . . 4.020 3.420 3.198 3.600 . 0 0 "[ . 1 . 2]" 1
1570 2 68 ILE H 2 68 ILE HG13 . . 3.750 2.206 1.989 2.359 . 0 0 "[ . 1 . 2]" 1
1571 2 68 ILE H 2 68 ILE MG . . 3.700 3.790 3.769 3.826 0.126 16 0 "[ . 1 . 2]" 1
1572 2 68 ILE HB 2 68 ILE MD . . 3.230 2.280 2.169 2.407 . 0 0 "[ . 1 . 2]" 1
1573 2 68 ILE HB 2 69 SER H . . 4.500 3.841 3.545 4.031 . 0 0 "[ . 1 . 2]" 1
1574 2 68 ILE HB 2 73 GLU HA . . 4.580 3.867 3.243 4.298 . 0 0 "[ . 1 . 2]" 1
1575 2 68 ILE HB 2 76 VAL HA . . 4.750 4.554 4.360 4.723 . 0 0 "[ . 1 . 2]" 1
1576 2 68 ILE MD 2 68 ILE MG . . 2.600 2.107 2.003 2.218 . 0 0 "[ . 1 . 2]" 1
1577 2 68 ILE MD 2 73 GLU HA . . 4.000 3.924 3.624 4.025 0.025 11 0 "[ . 1 . 2]" 1
1578 2 68 ILE MD 2 73 GLU HG2 . . 4.330 3.750 2.852 4.917 0.587 19 1 "[ . 1 . +2]" 1
1579 2 68 ILE MD 2 76 VAL HA . . 3.970 3.972 3.939 3.997 0.027 9 0 "[ . 1 . 2]" 1
1580 2 68 ILE HG12 2 69 SER H . . 4.770 4.546 4.422 4.710 . 0 0 "[ . 1 . 2]" 1
1581 2 68 ILE HG12 2 76 VAL HA . . 3.720 2.521 2.339 2.879 . 0 0 "[ . 1 . 2]" 1
1582 2 68 ILE HG12 2 77 LEU H . . 4.850 3.939 3.837 4.048 . 0 0 "[ . 1 . 2]" 1
1583 2 68 ILE HG13 2 68 ILE MG . . 3.450 3.234 3.228 3.241 . 0 0 "[ . 1 . 2]" 1
1584 2 68 ILE HG13 2 69 SER H . . 5.100 5.117 5.056 5.199 0.099 16 0 "[ . 1 . 2]" 1
1585 2 68 ILE HG13 2 76 VAL HA . . 4.520 3.942 3.641 4.438 . 0 0 "[ . 1 . 2]" 1
1586 2 68 ILE MG 2 69 SER H . . 3.290 2.017 1.907 2.396 . 0 0 "[ . 1 . 2]" 1
1587 2 68 ILE MG 2 69 SER HB2 . . 4.530 3.629 3.504 3.820 . 0 0 "[ . 1 . 2]" 1
1588 2 68 ILE MG 2 69 SER HB3 . . 3.890 3.598 3.464 3.853 . 0 0 "[ . 1 . 2]" 1
1589 2 68 ILE MG 2 73 GLU HA . . 2.990 2.318 2.027 2.792 . 0 0 "[ . 1 . 2]" 1
1590 2 68 ILE MG 2 73 GLU HG2 . . 4.080 3.636 2.767 4.761 0.681 17 3 "[- . 1 *. + 2]" 1
1591 2 68 ILE MG 2 74 GLU HA . . 4.110 3.371 2.565 3.607 . 0 0 "[ . 1 . 2]" 1
1592 2 68 ILE MG 2 75 GLU H . . 3.880 2.319 2.048 3.119 . 0 0 "[ . 1 . 2]" 1
1593 2 68 ILE MG 2 76 VAL HA . . 3.680 2.673 2.291 3.058 . 0 0 "[ . 1 . 2]" 1
1594 2 69 SER H 2 69 SER HB2 . . 3.530 2.150 2.059 2.240 . 0 0 "[ . 1 . 2]" 1
1595 2 69 SER H 2 69 SER HB3 . . 3.500 2.864 2.727 3.018 . 0 0 "[ . 1 . 2]" 1
1596 2 69 SER H 2 70 GLU H . . 4.750 4.619 4.513 4.669 . 0 0 "[ . 1 . 2]" 1
1597 2 69 SER H 2 75 GLU H . . 4.950 3.774 3.197 4.371 . 0 0 "[ . 1 . 2]" 1
1598 2 69 SER H 2 75 GLU HB2 . . 5.110 4.664 4.483 4.855 . 0 0 "[ . 1 . 2]" 1
1599 2 69 SER H 2 75 GLU HB3 . . 4.600 3.061 2.811 3.239 . 0 0 "[ . 1 . 2]" 1
1600 2 69 SER H 2 75 GLU HG2 . . 4.940 4.333 3.656 4.935 . 0 0 "[ . 1 . 2]" 1
1601 2 69 SER H 2 76 VAL HA . . 4.490 3.665 3.349 4.118 . 0 0 "[ . 1 . 2]" 1
1602 2 69 SER H 2 77 LEU H . . 4.570 4.479 3.989 4.586 0.016 12 0 "[ . 1 . 2]" 1
1603 2 69 SER H 2 77 LEU MD1 . . 3.950 3.082 2.774 3.302 . 0 0 "[ . 1 . 2]" 1
1604 2 69 SER H 2 77 LEU MD2 . . 4.300 2.658 2.407 2.939 . 0 0 "[ . 1 . 2]" 1
1605 2 69 SER H 2 77 LEU HG . . 4.260 2.530 2.279 2.674 . 0 0 "[ . 1 . 2]" 1
1606 2 69 SER HA 2 70 GLU H . . 3.300 2.281 2.217 2.389 . 0 0 "[ . 1 . 2]" 1
1607 2 69 SER HA 2 70 GLU QB . . 4.470 4.094 4.057 4.132 . 0 0 "[ . 1 . 2]" 1
1608 2 69 SER HA 2 77 LEU MD1 . . 3.180 1.958 1.883 2.126 . 0 0 "[ . 1 . 2]" 1
1609 2 69 SER HB2 2 75 GLU H . . 4.580 4.449 3.725 4.601 0.021 9 0 "[ . 1 . 2]" 1
1610 2 69 SER HB2 2 75 GLU HB2 . . 4.130 3.965 3.632 4.148 0.018 13 0 "[ . 1 . 2]" 1
1611 2 69 SER HB2 2 75 GLU HB3 . . 3.920 2.323 1.997 2.499 . 0 0 "[ . 1 . 2]" 1
1612 2 69 SER HB2 2 75 GLU HG2 . . 4.540 3.298 2.465 4.103 . 0 0 "[ . 1 . 2]" 1
1613 2 69 SER HB2 2 77 LEU MD2 . . 3.440 2.052 1.971 2.321 . 0 0 "[ . 1 . 2]" 1
1614 2 69 SER HB2 2 77 LEU HG . . 4.470 3.497 3.213 3.658 . 0 0 "[ . 1 . 2]" 1
1615 2 69 SER HB3 2 70 GLU H . . 4.190 3.851 3.462 4.093 . 0 0 "[ . 1 . 2]" 1
1616 2 69 SER HB3 2 71 LYS H . . 4.220 3.815 3.527 4.094 . 0 0 "[ . 1 . 2]" 1
1617 2 69 SER HB3 2 75 GLU H . . 4.510 4.259 3.782 4.535 0.025 12 0 "[ . 1 . 2]" 1
1618 2 69 SER HB3 2 75 GLU HB2 . . 4.130 3.966 3.665 4.140 0.010 15 0 "[ . 1 . 2]" 1
1619 2 69 SER HB3 2 75 GLU HB3 . . 3.470 2.721 2.360 3.261 . 0 0 "[ . 1 . 2]" 1
1620 2 70 GLU H 2 70 GLU QB . . 3.500 2.023 2.005 2.045 . 0 0 "[ . 1 . 2]" 1
1621 2 70 GLU H 2 70 GLU HG3 . . 3.850 3.842 3.779 3.882 0.032 1 0 "[ . 1 . 2]" 1
1622 2 70 GLU H 2 71 LYS H . . 3.800 2.931 2.737 3.151 . 0 0 "[ . 1 . 2]" 1
1623 2 70 GLU H 2 77 LEU MD1 . . 4.420 3.575 3.412 3.754 . 0 0 "[ . 1 . 2]" 1
1624 2 70 GLU HA 2 70 GLU HG2 . . 3.100 2.137 2.028 2.247 . 0 0 "[ . 1 . 2]" 1
1625 2 70 GLU QB 2 71 LYS H . . 4.120 2.406 2.280 2.552 . 0 0 "[ . 1 . 2]" 1
1626 2 70 GLU HG2 2 71 LYS H . . 4.610 4.609 4.552 4.632 0.022 1 0 "[ . 1 . 2]" 1
1627 2 71 LYS H 2 71 LYS HB2 . . 3.670 2.098 2.005 2.352 . 0 0 "[ . 1 . 2]" 1
1628 2 71 LYS H 2 71 LYS HB3 . . 3.590 3.325 3.017 3.557 . 0 0 "[ . 1 . 2]" 1
1629 2 71 LYS H 2 71 LYS HG2 . . 4.220 3.611 2.563 4.588 0.368 3 0 "[ . 1 . 2]" 1
1630 2 71 LYS H 2 72 ASN H . . 3.960 3.226 2.993 3.961 0.001 19 0 "[ . 1 . 2]" 1
1631 2 71 LYS HA 2 71 LYS HG2 . . 3.910 2.311 2.004 3.312 . 0 0 "[ . 1 . 2]" 1
1632 2 71 LYS HA 2 71 LYS HG3 . . 3.470 3.038 1.971 3.630 0.160 20 0 "[ . 1 . 2]" 1
1633 2 71 LYS HB2 2 72 ASN H . . 4.300 2.826 2.118 4.668 0.368 3 0 "[ . 1 . 2]" 1
1634 2 71 LYS HB3 2 72 ASN H . . 4.590 2.487 1.967 4.440 . 0 0 "[ . 1 . 2]" 1
1635 2 71 LYS HD3 2 71 LYS HE2 . . 3.010 2.525 2.268 2.957 . 0 0 "[ . 1 . 2]" 1
1636 2 71 LYS HE2 2 71 LYS HG3 . . 3.510 3.259 2.031 4.018 0.508 4 2 "[ +. 1 . -]" 1
1637 2 71 LYS HE3 2 71 LYS HG2 . . 4.060 2.910 2.086 4.172 0.112 3 0 "[ . 1 . 2]" 1
1638 2 72 ASN H 2 73 GLU H . . 4.660 4.384 2.909 4.653 . 0 0 "[ . 1 . 2]" 1
1639 2 72 ASN HA 2 73 GLU H . . 3.330 2.447 2.253 3.654 0.324 14 0 "[ . 1 . 2]" 1
1640 2 72 ASN HB2 2 73 GLU H . . 4.570 4.060 1.925 4.440 . 0 0 "[ . 1 . 2]" 1
1641 2 72 ASN HB2 2 75 GLU H . . 4.730 3.708 2.669 4.609 . 0 0 "[ . 1 . 2]" 1
1642 2 72 ASN HB2 2 75 GLU HB2 . . 3.980 2.598 2.180 3.564 . 0 0 "[ . 1 . 2]" 1
1643 2 72 ASN HB2 2 75 GLU HB3 . . 4.400 2.567 2.195 3.446 . 0 0 "[ . 1 . 2]" 1
1644 2 72 ASN HB3 2 73 GLU H . . 4.370 3.234 2.242 3.607 . 0 0 "[ . 1 . 2]" 1
1645 2 72 ASN HB3 2 75 GLU H . . 5.020 3.144 2.209 3.885 . 0 0 "[ . 1 . 2]" 1
1646 2 72 ASN HB3 2 75 GLU HB2 . . 4.170 2.363 2.020 3.439 . 0 0 "[ . 1 . 2]" 1
1647 2 72 ASN HB3 2 75 GLU HB3 . . 4.170 3.158 2.440 4.420 0.250 15 0 "[ . 1 . 2]" 1
1648 2 72 ASN HD21 2 75 GLU HB2 . . 4.580 2.507 1.956 3.054 . 0 0 "[ . 1 . 2]" 1
1649 2 72 ASN HD21 2 75 GLU HG2 . . 4.430 4.255 3.875 4.440 0.010 19 0 "[ . 1 . 2]" 1
1650 2 72 ASN HD22 2 75 GLU HB2 . . 4.550 4.030 3.080 4.517 . 0 0 "[ . 1 . 2]" 1
1651 2 73 GLU H 2 73 GLU HB2 . . 3.690 2.547 2.123 3.333 . 0 0 "[ . 1 . 2]" 1
1652 2 73 GLU H 2 73 GLU HB3 . . 3.630 2.934 2.509 3.842 0.212 19 0 "[ . 1 . 2]" 1
1653 2 73 GLU H 2 73 GLU HG3 . . 5.250 4.397 3.763 4.908 . 0 0 "[ . 1 . 2]" 1
1654 2 73 GLU H 2 74 GLU H . . 3.890 2.360 1.878 3.172 . 0 0 "[ . 1 . 2]" 1
1655 2 73 GLU HA 2 73 GLU HG2 . . 3.090 2.787 2.001 3.643 0.553 17 1 "[ . 1 . + 2]" 1
1656 2 73 GLU HA 2 74 GLU H . . 3.580 3.385 2.831 3.611 0.031 9 0 "[ . 1 . 2]" 1
1657 2 73 GLU HB2 2 73 GLU HG3 . . 3.040 2.566 2.264 3.037 . 0 0 "[ . 1 . 2]" 1
1658 2 73 GLU HB2 2 74 GLU H . . 4.280 4.057 3.673 4.647 0.367 15 0 "[ . 1 . 2]" 1
1659 2 73 GLU HB3 2 73 GLU HG3 . . 2.870 2.892 2.634 3.041 0.171 6 0 "[ . 1 . 2]" 1
1660 2 74 GLU H 2 74 GLU HB2 . . 3.660 2.988 2.306 3.753 0.093 15 0 "[ . 1 . 2]" 1
1661 2 74 GLU H 2 74 GLU HB3 . . 3.560 3.362 2.839 3.703 0.143 14 0 "[ . 1 . 2]" 1
1662 2 74 GLU H 2 74 GLU HG2 . . 3.530 3.010 1.933 3.756 0.226 5 0 "[ . 1 . 2]" 1
1663 2 74 GLU H 2 74 GLU HG3 . . 3.770 3.157 1.930 3.693 . 0 0 "[ . 1 . 2]" 1
1664 2 74 GLU HA 2 74 GLU HB2 . . 3.010 2.799 2.463 3.043 0.033 20 0 "[ . 1 . 2]" 1
1665 2 74 GLU HA 2 74 GLU HG2 . . 3.490 2.957 2.152 4.120 0.630 19 4 "[ * . - 1 * . +2]" 1
1666 2 74 GLU HA 2 75 GLU H . . 3.440 3.068 2.824 3.609 0.169 15 0 "[ . 1 . 2]" 1
1667 2 75 GLU H 2 75 GLU HB2 . . 3.540 2.826 2.195 3.113 . 0 0 "[ . 1 . 2]" 1
1668 2 75 GLU H 2 75 GLU HB3 . . 3.590 2.815 2.613 3.066 . 0 0 "[ . 1 . 2]" 1
1669 2 75 GLU H 2 76 VAL H . . 4.560 3.941 3.575 4.478 . 0 0 "[ . 1 . 2]" 1
1670 2 75 GLU HA 2 75 GLU HG2 . . 3.580 3.229 2.820 3.578 . 0 0 "[ . 1 . 2]" 1
1671 2 75 GLU HA 2 75 GLU HG3 . . 3.500 2.246 2.150 2.408 . 0 0 "[ . 1 . 2]" 1
1672 2 75 GLU HA 2 76 VAL H . . 2.830 2.275 2.202 2.376 . 0 0 "[ . 1 . 2]" 1
1673 2 75 GLU HA 2 76 VAL QG . . 3.740 3.589 3.467 3.681 . 0 0 "[ . 1 . 2]" 1
1674 2 75 GLU HB3 2 76 VAL H . . 4.460 4.416 4.187 4.557 0.097 20 0 "[ . 1 . 2]" 1
1675 2 75 GLU HB3 2 77 LEU MD2 . . 3.870 3.155 2.559 3.475 . 0 0 "[ . 1 . 2]" 1
1676 2 75 GLU HG2 2 76 VAL H . . 4.430 4.281 3.836 4.434 0.004 19 0 "[ . 1 . 2]" 1
1677 2 75 GLU HG2 2 77 LEU MD2 . . 3.500 2.660 2.201 3.135 . 0 0 "[ . 1 . 2]" 1
1678 2 75 GLU HG3 2 76 VAL H . . 4.160 3.693 2.897 4.118 . 0 0 "[ . 1 . 2]" 1
1679 2 76 VAL H 2 76 VAL HB . . 3.340 2.475 2.308 2.631 . 0 0 "[ . 1 . 2]" 1
1680 2 76 VAL H 2 76 VAL QG . . 3.110 2.040 1.886 2.360 . 0 0 "[ . 1 . 2]" 1
1681 2 76 VAL H 2 77 LEU H . . 5.230 4.646 4.602 4.667 . 0 0 "[ . 1 . 2]" 1
1682 2 76 VAL HA 2 76 VAL QG . . 3.150 2.249 2.117 2.346 . 0 0 "[ . 1 . 2]" 1
1683 2 76 VAL HA 2 77 LEU H . . 3.330 2.343 2.245 2.458 . 0 0 "[ . 1 . 2]" 1
1684 2 76 VAL HA 2 77 LEU HG . . 4.400 3.368 3.255 3.489 . 0 0 "[ . 1 . 2]" 1
1685 2 76 VAL HA 2 78 VAL H . . 4.340 4.299 4.206 4.350 0.010 2 0 "[ . 1 . 2]" 1
1686 2 76 VAL HB 2 77 LEU H . . 5.070 3.974 3.750 4.215 . 0 0 "[ . 1 . 2]" 1
1687 2 76 VAL QG 2 77 LEU H . . 3.460 2.097 1.868 2.425 . 0 0 "[ . 1 . 2]" 1
1688 2 76 VAL QG 2 77 LEU HA . . 4.130 3.508 3.297 3.681 . 0 0 "[ . 1 . 2]" 1
1689 2 76 VAL QG 2 78 VAL H . . 3.470 2.879 2.697 3.263 . 0 0 "[ . 1 . 2]" 1
1690 2 76 VAL QG 2 78 VAL HA . . 4.020 3.699 3.598 3.891 . 0 0 "[ . 1 . 2]" 1
1691 2 76 VAL QG 2 79 GLU H . . 4.230 4.034 3.662 4.210 . 0 0 "[ . 1 . 2]" 1
1692 2 76 VAL QG 2 79 GLU HB2 . . 3.780 2.977 2.745 3.265 . 0 0 "[ . 1 . 2]" 1
1693 2 76 VAL QG 2 79 GLU HG3 . . 4.360 3.225 2.802 3.596 . 0 0 "[ . 1 . 2]" 1
1694 2 77 LEU H 2 77 LEU HB3 . . 4.170 3.788 3.730 3.867 . 0 0 "[ . 1 . 2]" 1
1695 2 77 LEU H 2 77 LEU MD1 . . 4.200 4.009 3.907 4.178 . 0 0 "[ . 1 . 2]" 1
1696 2 77 LEU H 2 77 LEU MD2 . . 3.860 3.458 3.376 3.557 . 0 0 "[ . 1 . 2]" 1
1697 2 77 LEU H 2 77 LEU HG . . 3.680 2.691 2.557 2.863 . 0 0 "[ . 1 . 2]" 1
1698 2 77 LEU H 2 78 VAL H . . 4.030 2.063 1.926 2.185 . 0 0 "[ . 1 . 2]" 1
1699 2 77 LEU HA 2 77 LEU MD2 . . 2.850 2.021 1.973 2.123 . 0 0 "[ . 1 . 2]" 1
1700 2 77 LEU HA 2 77 LEU HG . . 3.670 3.310 3.272 3.346 . 0 0 "[ . 1 . 2]" 1
1701 2 77 LEU HB2 2 77 LEU MD1 . . 3.400 2.384 2.330 2.440 . 0 0 "[ . 1 . 2]" 1
1702 2 77 LEU HB2 2 77 LEU MD2 . . 3.320 3.217 3.206 3.223 . 0 0 "[ . 1 . 2]" 1
1703 2 77 LEU HB2 2 78 VAL H . . 4.480 2.466 2.344 2.571 . 0 0 "[ . 1 . 2]" 1
1704 2 77 LEU HB2 2 78 VAL MG2 . . 3.850 3.751 3.508 3.830 . 0 0 "[ . 1 . 2]" 1
1705 2 77 LEU HB3 2 77 LEU MD1 . . 3.050 2.303 2.262 2.340 . 0 0 "[ . 1 . 2]" 1
1706 2 77 LEU HB3 2 77 LEU MD2 . . 3.470 2.469 2.385 2.504 . 0 0 "[ . 1 . 2]" 1
1707 2 77 LEU HB3 2 78 VAL H . . 4.420 3.747 3.651 3.844 . 0 0 "[ . 1 . 2]" 1
1708 2 77 LEU HB3 2 78 VAL MG2 . . 3.810 3.739 3.529 3.845 0.035 12 0 "[ . 1 . 2]" 1
1709 2 77 LEU MD1 2 78 VAL H . . 4.760 4.342 4.196 4.448 . 0 0 "[ . 1 . 2]" 1
1710 2 77 LEU MD2 2 78 VAL H . . 4.540 4.546 4.530 4.591 0.051 13 0 "[ . 1 . 2]" 1
1711 2 77 LEU HG 2 78 VAL H . . 4.590 3.940 3.847 4.086 . 0 0 "[ . 1 . 2]" 1
1712 2 78 VAL H 2 78 VAL HB . . 4.170 2.615 2.556 2.695 . 0 0 "[ . 1 . 2]" 1
1713 2 78 VAL H 2 78 VAL MG1 . . 3.980 3.567 3.509 3.636 . 0 0 "[ . 1 . 2]" 1
1714 2 78 VAL H 2 78 VAL MG2 . . 3.870 3.499 3.354 3.562 . 0 0 "[ . 1 . 2]" 1
1715 2 78 VAL H 2 79 GLU H . . 4.900 4.310 4.165 4.377 . 0 0 "[ . 1 . 2]" 1
1716 2 78 VAL HA 2 78 VAL MG1 . . 3.210 2.690 2.608 2.726 . 0 0 "[ . 1 . 2]" 1
1717 2 78 VAL HA 2 78 VAL MG2 . . 3.380 2.074 1.996 2.200 . 0 0 "[ . 1 . 2]" 1
1718 2 78 VAL HA 2 79 GLU H . . 2.900 2.246 2.188 2.293 . 0 0 "[ . 1 . 2]" 1
1719 2 78 VAL HB 2 79 GLU H . . 4.840 4.368 4.281 4.516 . 0 0 "[ . 1 . 2]" 1
1720 2 78 VAL MG1 2 79 GLU H . . 3.350 2.434 2.213 2.807 . 0 0 "[ . 1 . 2]" 1
1721 2 78 VAL MG1 2 80 CYS H . . 4.160 3.060 2.983 3.425 . 0 0 "[ . 1 . 2]" 1
1722 2 78 VAL MG1 2 80 CYS HB2 . . 3.900 2.813 2.614 3.009 . 0 0 "[ . 1 . 2]" 1
1723 2 78 VAL MG1 2 80 CYS HB3 . . 4.210 3.921 3.767 4.208 . 0 0 "[ . 1 . 2]" 1
1724 2 78 VAL MG1 2 99 PHE QE . . 3.870 3.067 2.941 3.154 . 0 0 "[ . 1 . 2]" 1
1725 2 78 VAL MG1 2 99 PHE HZ . . 3.310 2.040 1.962 2.110 . 0 0 "[ . 1 . 2]" 1
1726 2 78 VAL MG1 2 101 MET ME . . 3.300 3.018 2.526 3.245 . 0 0 "[ . 1 . 2]" 1
1727 2 78 VAL MG1 2 111 HIS HD2 . . 4.270 3.122 2.542 3.504 . 0 0 "[ . 1 . 2]" 1
1728 2 78 VAL MG1 2 111 HIS HE1 . . 4.090 4.068 3.946 4.103 0.013 12 0 "[ . 1 . 2]" 1
1729 2 78 VAL MG2 2 79 GLU H . . 3.850 3.484 3.370 3.710 . 0 0 "[ . 1 . 2]" 1
1730 2 78 VAL MG2 2 99 PHE QE . . 4.520 4.555 4.533 4.584 0.064 7 0 "[ . 1 . 2]" 1
1731 2 78 VAL MG2 2 99 PHE HZ . . 3.920 3.914 3.835 3.967 0.047 9 0 "[ . 1 . 2]" 1
1732 2 78 VAL MG2 2 101 MET ME . . 4.130 4.081 3.927 4.162 0.032 7 0 "[ . 1 . 2]" 1
1733 2 78 VAL MG2 2 111 HIS HE1 . . 3.750 2.551 2.383 2.677 . 0 0 "[ . 1 . 2]" 1
1734 2 79 GLU H 2 79 GLU HB2 . . 4.080 2.672 2.501 2.842 . 0 0 "[ . 1 . 2]" 1
1735 2 79 GLU H 2 79 GLU HB3 . . 3.680 2.967 2.742 3.214 . 0 0 "[ . 1 . 2]" 1
1736 2 79 GLU H 2 79 GLU HG2 . . 4.840 4.648 4.492 4.801 . 0 0 "[ . 1 . 2]" 1
1737 2 79 GLU H 2 79 GLU HG3 . . 4.690 4.459 4.263 4.649 . 0 0 "[ . 1 . 2]" 1
1738 2 79 GLU H 2 80 CYS H . . 4.920 3.967 3.888 4.113 . 0 0 "[ . 1 . 2]" 1
1739 2 79 GLU H 2 101 MET ME . . 4.270 2.884 2.482 3.217 . 0 0 "[ . 1 . 2]" 1
1740 2 79 GLU HB3 2 80 CYS H . . 4.700 4.332 4.053 4.449 . 0 0 "[ . 1 . 2]" 1
1741 2 79 GLU HG2 2 80 CYS H . . 4.260 3.865 3.585 4.163 . 0 0 "[ . 1 . 2]" 1
1742 2 79 GLU HG3 2 80 CYS H . . 4.470 4.270 4.034 4.466 . 0 0 "[ . 1 . 2]" 1
1743 2 80 CYS H 2 80 CYS HB2 . . 4.000 2.662 2.566 2.766 . 0 0 "[ . 1 . 2]" 1
1744 2 80 CYS H 2 80 CYS HB3 . . 3.890 2.651 2.550 2.798 . 0 0 "[ . 1 . 2]" 1
1745 2 80 CYS HA 2 81 ARG H . . 3.330 2.300 2.261 2.336 . 0 0 "[ . 1 . 2]" 1
1746 2 80 CYS HA 2 101 MET ME . . 3.280 2.082 1.972 2.334 . 0 0 "[ . 1 . 2]" 1
1747 2 80 CYS HB2 2 81 ARG H . . 4.830 4.667 4.613 4.708 . 0 0 "[ . 1 . 2]" 1
1748 2 80 CYS HB2 2 99 PHE QE . . 4.290 2.493 2.228 2.681 . 0 0 "[ . 1 . 2]" 1
1749 2 80 CYS HB2 2 99 PHE HZ . . 4.800 2.528 2.344 2.725 . 0 0 "[ . 1 . 2]" 1
1750 2 80 CYS HB2 2 101 MET ME . . 3.600 3.529 3.268 3.629 0.029 16 0 "[ . 1 . 2]" 1
1751 2 80 CYS HB3 2 81 ARG H . . 4.920 4.478 4.403 4.545 . 0 0 "[ . 1 . 2]" 1
1752 2 80 CYS HB3 2 99 PHE QE . . 4.530 3.707 3.526 3.824 . 0 0 "[ . 1 . 2]" 1
1753 2 80 CYS HB3 2 99 PHE HZ . . 4.540 3.822 3.629 4.071 . 0 0 "[ . 1 . 2]" 1
1754 2 80 CYS HG 2 81 ARG H . . 4.540 3.392 3.124 3.625 . 0 0 "[ . 1 . 2]" 1
1755 2 80 CYS HG 2 84 PHE H . . 5.500 5.147 4.870 5.414 . 0 0 "[ . 1 . 2]" 1
1756 2 80 CYS HG 2 84 PHE HB2 . . 4.830 4.215 3.915 4.539 . 0 0 "[ . 1 . 2]" 1
1757 2 80 CYS HG 2 85 LEU H . . 4.670 3.464 3.171 3.901 . 0 0 "[ . 1 . 2]" 1
1758 2 80 CYS HG 2 85 LEU HB2 . . 4.360 2.771 2.626 2.970 . 0 0 "[ . 1 . 2]" 1
1759 2 80 CYS HG 2 85 LEU HB3 . . 4.290 4.304 4.104 4.389 0.099 2 0 "[ . 1 . 2]" 1
1760 2 80 CYS HG 2 85 LEU QD . . 4.660 2.234 1.928 2.533 . 0 0 "[ . 1 . 2]" 1
1761 2 80 CYS HG 2 99 PHE QE . . 5.330 4.013 3.860 4.238 . 0 0 "[ . 1 . 2]" 1
1762 2 80 CYS HG 2 101 MET HB2 . . 4.620 3.378 3.005 3.672 . 0 0 "[ . 1 . 2]" 1
1763 2 80 CYS HG 2 101 MET ME . . 4.010 3.885 3.622 4.026 0.016 6 0 "[ . 1 . 2]" 1
1764 2 81 ARG H 2 81 ARG HB2 . . 4.010 2.366 2.181 2.580 . 0 0 "[ . 1 . 2]" 1
1765 2 81 ARG H 2 81 ARG HB3 . . 3.850 3.532 3.468 3.606 . 0 0 "[ . 1 . 2]" 1
1766 2 81 ARG H 2 81 ARG QD . . 4.250 3.326 1.837 4.142 . 0 0 "[ . 1 . 2]" 1
1767 2 81 ARG H 2 81 ARG QG . . 3.660 2.704 2.107 3.480 . 0 0 "[ . 1 . 2]" 1
1768 2 81 ARG H 2 82 VAL H . . 5.270 4.490 4.442 4.555 . 0 0 "[ . 1 . 2]" 1
1769 2 81 ARG H 2 84 PHE QD . . 4.770 3.367 2.470 4.290 . 0 0 "[ . 1 . 2]" 1
1770 2 81 ARG H 2 101 MET ME . . 3.780 3.283 3.078 3.623 . 0 0 "[ . 1 . 2]" 1
1771 2 81 ARG HB2 2 81 ARG QD . . 3.470 3.024 2.415 3.565 0.095 1 0 "[ . 1 . 2]" 1
1772 2 81 ARG HB2 2 82 VAL H . . 4.570 4.418 4.216 4.542 . 0 0 "[ . 1 . 2]" 1
1773 2 81 ARG HB2 2 83 ARG H . . 4.350 3.759 3.219 4.349 . 0 0 "[ . 1 . 2]" 1
1774 2 81 ARG HB2 2 84 PHE QD . . 4.280 2.152 1.964 2.733 . 0 0 "[ . 1 . 2]" 1
1775 2 81 ARG HB3 2 82 VAL H . . 4.640 3.591 3.413 3.699 . 0 0 "[ . 1 . 2]" 1
1776 2 81 ARG HB3 2 83 ARG H . . 4.590 2.679 2.372 3.258 . 0 0 "[ . 1 . 2]" 1
1777 2 81 ARG HB3 2 84 PHE H . . 4.550 2.741 2.373 3.316 . 0 0 "[ . 1 . 2]" 1
1778 2 81 ARG HB3 2 84 PHE QD . . 4.070 3.193 2.024 3.732 . 0 0 "[ . 1 . 2]" 1
1779 2 81 ARG QD 2 82 VAL H . . 4.590 4.177 3.078 4.663 0.073 12 0 "[ . 1 . 2]" 1
1780 2 81 ARG QD 2 84 PHE QD . . 4.100 3.581 2.572 3.970 . 0 0 "[ . 1 . 2]" 1
1781 2 81 ARG QD 2 84 PHE QE . . 4.140 3.872 3.386 4.062 . 0 0 "[ . 1 . 2]" 1
1782 2 81 ARG QG 2 82 VAL H . . 4.680 4.399 3.969 4.598 . 0 0 "[ . 1 . 2]" 1
1783 2 81 ARG QG 2 84 PHE QD . . 4.430 2.810 1.878 3.726 . 0 0 "[ . 1 . 2]" 1
1784 2 82 VAL H 2 82 VAL HB . . 3.950 2.285 1.952 3.542 . 0 0 "[ . 1 . 2]" 1
1785 2 82 VAL H 2 82 VAL MG1 . . 3.270 3.005 2.038 3.327 0.057 16 0 "[ . 1 . 2]" 1
1786 2 82 VAL H 2 82 VAL MG2 . . 3.420 2.979 2.109 3.370 . 0 0 "[ . 1 . 2]" 1
1787 2 82 VAL H 2 83 ARG H . . 4.160 2.871 2.704 3.056 . 0 0 "[ . 1 . 2]" 1
1788 2 82 VAL HA 2 82 VAL MG1 . . 3.450 2.853 2.193 3.104 . 0 0 "[ . 1 . 2]" 1
1789 2 82 VAL HA 2 82 VAL MG2 . . 3.330 2.261 1.953 3.220 . 0 0 "[ . 1 . 2]" 1
1790 2 82 VAL HA 2 84 PHE H . . 4.490 4.463 4.005 4.609 0.119 2 0 "[ . 1 . 2]" 1
1791 2 82 VAL HA 2 85 LEU H . . 3.830 3.293 3.164 3.449 . 0 0 "[ . 1 . 2]" 1
1792 2 82 VAL HA 2 85 LEU HB2 . . 3.710 2.221 2.098 2.474 . 0 0 "[ . 1 . 2]" 1
1793 2 82 VAL HA 2 85 LEU HB3 . . 3.700 2.917 2.499 3.117 . 0 0 "[ . 1 . 2]" 1
1794 2 82 VAL HA 2 85 LEU QD . . 3.950 2.688 2.480 2.979 . 0 0 "[ . 1 . 2]" 1
1795 2 82 VAL HA 2 130 CYS HG . . 4.820 4.141 3.023 4.722 . 0 0 "[ . 1 . 2]" 1
1796 2 82 VAL HB 2 83 ARG H . . 4.420 3.528 3.291 3.933 . 0 0 "[ . 1 . 2]" 1
1797 2 82 VAL HB 2 130 CYS HA . . 4.160 3.759 1.987 4.236 0.076 17 0 "[ . 1 . 2]" 1
1798 2 82 VAL MG1 2 83 ARG H . . 3.840 2.872 2.120 4.162 0.322 13 0 "[ . 1 . 2]" 1
1799 2 82 VAL MG1 2 129 ALA MB . . 3.460 3.090 1.771 3.480 0.020 18 0 "[ . 1 . 2]" 1
1800 2 82 VAL MG1 2 130 CYS H . . 4.930 3.812 2.674 4.303 . 0 0 "[ . 1 . 2]" 1
1801 2 82 VAL MG1 2 130 CYS HA . . 3.190 2.264 1.853 2.954 . 0 0 "[ . 1 . 2]" 1
1802 2 82 VAL MG1 2 130 CYS HG . . 5.230 3.820 2.181 4.536 . 0 0 "[ . 1 . 2]" 1
1803 2 82 VAL MG2 2 85 LEU QD . . 3.770 3.244 2.731 4.727 0.957 9 4 "[ . *+1 -* . 2]" 1
1804 2 82 VAL MG2 2 130 CYS H . . 4.590 3.015 2.375 4.834 0.244 13 0 "[ . 1 . 2]" 1
1805 2 82 VAL MG2 2 130 CYS HA . . 3.310 2.218 1.782 3.173 . 0 0 "[ . 1 . 2]" 1
1806 2 82 VAL MG2 2 130 CYS HB3 . . 4.410 4.085 3.654 5.188 0.778 13 3 "[ . -1 *+ . 2]" 1
1807 2 83 ARG H 2 83 ARG HB2 . . 3.630 2.276 2.034 2.490 . 0 0 "[ . 1 . 2]" 1
1808 2 83 ARG H 2 83 ARG HB3 . . 3.660 3.480 3.292 3.577 . 0 0 "[ . 1 . 2]" 1
1809 2 83 ARG H 2 83 ARG HD2 . . 4.960 4.313 2.137 4.978 0.018 14 0 "[ . 1 . 2]" 1
1810 2 83 ARG H 2 83 ARG HD3 . . 4.570 3.945 2.006 4.566 . 0 0 "[ . 1 . 2]" 1
1811 2 83 ARG H 2 83 ARG HG2 . . 3.980 3.087 2.294 4.396 0.416 2 0 "[ . 1 . 2]" 1
1812 2 83 ARG H 2 83 ARG HG3 . . 4.290 3.424 2.897 4.052 . 0 0 "[ . 1 . 2]" 1
1813 2 83 ARG H 2 84 PHE H . . 3.990 2.647 2.356 2.962 . 0 0 "[ . 1 . 2]" 1
1814 2 83 ARG H 2 85 LEU H . . 5.030 3.866 3.639 4.152 . 0 0 "[ . 1 . 2]" 1
1815 2 83 ARG HA 2 83 ARG HD2 . . 4.200 3.460 2.449 4.294 0.094 9 0 "[ . 1 . 2]" 1
1816 2 83 ARG HA 2 83 ARG HD3 . . 4.330 3.038 2.168 4.251 . 0 0 "[ . 1 . 2]" 1
1817 2 83 ARG HA 2 83 ARG HG2 . . 4.090 2.838 2.448 3.542 . 0 0 "[ . 1 . 2]" 1
1818 2 83 ARG HA 2 83 ARG HG3 . . 4.270 3.174 2.071 3.759 . 0 0 "[ . 1 . 2]" 1
1819 2 83 ARG HB2 2 83 ARG HD2 . . 4.120 3.375 2.820 3.915 . 0 0 "[ . 1 . 2]" 1
1820 2 83 ARG HB2 2 83 ARG HD3 . . 4.020 3.260 2.055 4.027 0.007 4 0 "[ . 1 . 2]" 1
1821 2 83 ARG HB2 2 84 PHE H . . 4.730 2.717 2.474 2.984 . 0 0 "[ . 1 . 2]" 1
1822 2 83 ARG HB3 2 83 ARG HD2 . . 3.890 2.912 2.069 4.122 0.232 2 0 "[ . 1 . 2]" 1
1823 2 83 ARG HB3 2 83 ARG HD3 . . 4.030 3.009 2.101 3.693 . 0 0 "[ . 1 . 2]" 1
1824 2 83 ARG HB3 2 84 PHE H . . 4.780 3.376 2.801 3.998 . 0 0 "[ . 1 . 2]" 1
1825 2 83 ARG HG2 2 84 PHE H . . 4.810 4.666 4.367 5.032 0.222 7 0 "[ . 1 . 2]" 1
1826 2 83 ARG HG3 2 84 PHE H . . 4.910 4.815 4.692 4.921 0.011 16 0 "[ . 1 . 2]" 1
1827 2 84 PHE H 2 84 PHE HB2 . . 3.980 2.187 2.090 2.360 . 0 0 "[ . 1 . 2]" 1
1828 2 84 PHE H 2 84 PHE QD . . 4.430 2.828 1.932 3.368 . 0 0 "[ . 1 . 2]" 1
1829 2 84 PHE H 2 85 LEU H . . 3.560 2.456 2.133 2.584 . 0 0 "[ . 1 . 2]" 1
1830 2 84 PHE HA 2 84 PHE QD . . 3.880 2.276 1.910 3.153 . 0 0 "[ . 1 . 2]" 1
1831 2 84 PHE HB2 2 85 LEU H . . 4.800 2.690 2.579 3.043 . 0 0 "[ . 1 . 2]" 1
1832 2 84 PHE HB3 2 85 LEU H . . 4.960 3.599 3.384 4.060 . 0 0 "[ . 1 . 2]" 1
1833 2 84 PHE QD 2 101 MET ME . . 4.590 4.269 3.808 4.617 0.027 3 0 "[ . 1 . 2]" 1
1834 2 85 LEU H 2 85 LEU HB2 . . 3.820 2.037 2.015 2.126 . 0 0 "[ . 1 . 2]" 1
1835 2 85 LEU H 2 85 LEU HB3 . . 3.880 3.005 2.816 3.088 . 0 0 "[ . 1 . 2]" 1
1836 2 85 LEU H 2 85 LEU QD . . 4.310 3.508 3.396 3.647 . 0 0 "[ . 1 . 2]" 1
1837 2 85 LEU H 2 85 LEU HG . . 4.800 3.972 3.905 4.142 . 0 0 "[ . 1 . 2]" 1
1838 2 85 LEU HA 2 101 MET HA . . 3.710 2.498 2.231 2.755 . 0 0 "[ . 1 . 2]" 1
1839 2 85 LEU HB2 2 86 SER H . . 5.230 4.349 4.229 4.503 . 0 0 "[ . 1 . 2]" 1
1840 2 85 LEU HB3 2 86 SER H . . 4.840 3.682 3.411 3.923 . 0 0 "[ . 1 . 2]" 1
1841 2 85 LEU QD 2 86 SER H . . 3.980 2.311 2.020 2.930 . 0 0 "[ . 1 . 2]" 1
1842 2 85 LEU QD 2 87 PHE H . . 3.450 2.748 2.447 3.064 . 0 0 "[ . 1 . 2]" 1
1843 2 85 LEU QD 2 88 MET HA . . 4.580 3.615 3.456 3.924 . 0 0 "[ . 1 . 2]" 1
1844 2 85 LEU QD 2 88 MET HB2 . . 4.370 3.322 3.197 3.441 . 0 0 "[ . 1 . 2]" 1
1845 2 85 LEU QD 2 88 MET ME . . 3.480 2.463 2.067 2.895 . 0 0 "[ . 1 . 2]" 1
1846 2 85 LEU QD 2 88 MET HG2 . . 3.820 2.159 1.892 2.496 . 0 0 "[ . 1 . 2]" 1
1847 2 85 LEU QD 2 88 MET HG3 . . 4.230 3.455 3.187 3.758 . 0 0 "[ . 1 . 2]" 1
1848 2 85 LEU QD 2 99 PHE HA . . 4.080 3.522 3.384 3.633 . 0 0 "[ . 1 . 2]" 1
1849 2 85 LEU QD 2 99 PHE HB2 . . 3.420 2.160 2.055 2.253 . 0 0 "[ . 1 . 2]" 1
1850 2 85 LEU QD 2 99 PHE HB3 . . 3.660 3.231 3.118 3.316 . 0 0 "[ . 1 . 2]" 1
1851 2 85 LEU QD 2 99 PHE QD . . 3.660 3.012 2.750 3.069 . 0 0 "[ . 1 . 2]" 1
1852 2 85 LEU QD 2 99 PHE QE . . 4.270 3.983 3.636 4.126 . 0 0 "[ . 1 . 2]" 1
1853 2 85 LEU QD 2 100 ILE H . . 4.220 3.080 2.958 3.215 . 0 0 "[ . 1 . 2]" 1
1854 2 85 LEU QD 2 130 CYS HG . . 4.090 3.346 3.032 3.733 . 0 0 "[ . 1 . 2]" 1
1855 2 85 LEU HG 2 86 SER H . . 4.630 3.060 2.797 3.339 . 0 0 "[ . 1 . 2]" 1
1856 2 85 LEU HG 2 99 PHE HB2 . . 4.290 3.233 3.085 3.372 . 0 0 "[ . 1 . 2]" 1
1857 2 85 LEU HG 2 99 PHE QD . . 3.980 3.132 2.947 3.302 . 0 0 "[ . 1 . 2]" 1
1858 2 85 LEU HG 2 100 ILE H . . 4.630 4.182 4.032 4.271 . 0 0 "[ . 1 . 2]" 1
1859 2 85 LEU HG 2 101 MET HA . . 4.700 3.527 3.280 3.825 . 0 0 "[ . 1 . 2]" 1
1860 2 86 SER H 2 86 SER HG . . 4.870 3.369 2.626 3.812 . 0 0 "[ . 1 . 2]" 1
1861 2 86 SER H 2 87 PHE H . . 3.660 2.228 1.952 2.476 . 0 0 "[ . 1 . 2]" 1
1862 2 86 SER H 2 100 ILE H . . 5.020 4.015 3.914 4.104 . 0 0 "[ . 1 . 2]" 1
1863 2 86 SER H 2 101 MET HA . . 3.990 3.380 3.089 3.697 . 0 0 "[ . 1 . 2]" 1
1864 2 86 SER H 2 102 ASP H . . 4.860 4.862 4.816 4.890 0.030 17 0 "[ . 1 . 2]" 1
1865 2 86 SER HB2 2 87 PHE H . . 5.050 3.261 2.231 3.907 . 0 0 "[ . 1 . 2]" 1
1866 2 86 SER HB3 2 87 PHE H . . 4.930 3.820 3.624 3.985 . 0 0 "[ . 1 . 2]" 1
1867 2 86 SER HG 2 87 PHE H . . 4.320 3.144 2.224 3.834 . 0 0 "[ . 1 . 2]" 1
1868 2 86 SER HG 2 100 ILE HB . . 4.340 3.078 2.331 3.827 . 0 0 "[ . 1 . 2]" 1
1869 2 86 SER HG 2 100 ILE MG . . 3.630 2.027 1.807 2.687 . 0 0 "[ . 1 . 2]" 1
1870 2 87 PHE H 2 99 PHE HA . . 4.820 4.852 4.811 4.897 0.077 18 0 "[ . 1 . 2]" 1
1871 2 87 PHE H 2 99 PHE HB2 . . 5.500 4.981 4.783 5.138 . 0 0 "[ . 1 . 2]" 1
1872 2 87 PHE H 2 100 ILE H . . 4.160 2.940 2.842 3.055 . 0 0 "[ . 1 . 2]" 1
1873 2 87 PHE H 2 100 ILE HB . . 4.110 2.379 2.080 2.640 . 0 0 "[ . 1 . 2]" 1
1874 2 87 PHE H 2 100 ILE MD . . 4.480 3.481 3.075 3.909 . 0 0 "[ . 1 . 2]" 1
1875 2 87 PHE HA 2 88 MET H . . 3.340 2.398 2.294 2.491 . 0 0 "[ . 1 . 2]" 1
1876 2 87 PHE HB2 2 88 MET H . . 4.720 4.077 3.847 4.323 . 0 0 "[ . 1 . 2]" 1
1877 2 87 PHE HB2 2 100 ILE HB . . 4.530 3.704 2.926 4.390 . 0 0 "[ . 1 . 2]" 1
1878 2 87 PHE HB2 2 100 ILE MD . . 3.490 3.055 2.503 3.495 0.005 10 0 "[ . 1 . 2]" 1
1879 2 87 PHE HB3 2 88 MET H . . 4.160 3.738 3.545 3.971 . 0 0 "[ . 1 . 2]" 1
1880 2 87 PHE HB3 2 100 ILE HB . . 4.350 2.569 2.127 2.981 . 0 0 "[ . 1 . 2]" 1
1881 2 87 PHE HB3 2 100 ILE MD . . 3.620 1.938 1.771 2.177 . 0 0 "[ . 1 . 2]" 1
1882 2 87 PHE HD2 2 100 ILE MD . . 4.320 3.223 2.026 4.825 0.505 10 1 "[ . + . 2]" 1
1883 2 88 MET H 2 88 MET HG2 . . 4.100 3.314 2.904 3.615 . 0 0 "[ . 1 . 2]" 1
1884 2 88 MET H 2 88 MET HG3 . . 3.760 2.427 2.145 2.658 . 0 0 "[ . 1 . 2]" 1
1885 2 88 MET HA 2 88 MET HG3 . . 4.200 3.583 3.544 3.705 . 0 0 "[ . 1 . 2]" 1
1886 2 88 MET HA 2 99 PHE HA . . 3.670 2.046 1.994 2.174 . 0 0 "[ . 1 . 2]" 1
1887 2 88 MET HA 2 99 PHE HB2 . . 4.460 3.515 3.254 3.824 . 0 0 "[ . 1 . 2]" 1
1888 2 88 MET HA 2 100 ILE H . . 4.450 3.404 3.293 3.555 . 0 0 "[ . 1 . 2]" 1
1889 2 88 MET HB2 2 89 GLY H . . 4.080 3.277 3.052 3.563 . 0 0 "[ . 1 . 2]" 1
1890 2 88 MET HB2 2 97 PHE QE . . 4.240 2.546 2.008 2.961 . 0 0 "[ . 1 . 2]" 1
1891 2 88 MET HB2 2 97 PHE HZ . . 4.630 2.970 2.685 3.313 . 0 0 "[ . 1 . 2]" 1
1892 2 88 MET HB2 2 99 PHE HA . . 4.600 3.622 3.270 3.985 . 0 0 "[ . 1 . 2]" 1
1893 2 88 MET HB2 2 99 PHE HB2 . . 4.700 3.423 3.252 3.632 . 0 0 "[ . 1 . 2]" 1
1894 2 88 MET HB3 2 89 GLY H . . 4.290 4.158 4.001 4.332 0.042 17 0 "[ . 1 . 2]" 1
1895 2 88 MET HB3 2 97 PHE QE . . 4.820 4.153 3.691 4.496 . 0 0 "[ . 1 . 2]" 1
1896 2 88 MET HB3 2 97 PHE HZ . . 4.550 4.042 3.693 4.261 . 0 0 "[ . 1 . 2]" 1
1897 2 88 MET HB3 2 99 PHE HA . . 4.410 2.994 2.292 3.279 . 0 0 "[ . 1 . 2]" 1
1898 2 88 MET HB3 2 99 PHE HB2 . . 4.690 2.296 2.040 2.505 . 0 0 "[ . 1 . 2]" 1
1899 2 88 MET HB3 2 99 PHE HB3 . . 4.600 2.820 2.340 3.108 . 0 0 "[ . 1 . 2]" 1
1900 2 88 MET ME 2 88 MET HG3 . . 3.270 2.937 2.297 3.167 . 0 0 "[ . 1 . 2]" 1
1901 2 88 MET ME 2 97 PHE QE . . 4.610 4.304 3.928 4.481 . 0 0 "[ . 1 . 2]" 1
1902 2 88 MET ME 2 97 PHE HZ . . 4.130 3.815 3.523 4.134 0.004 12 0 "[ . 1 . 2]" 1
1903 2 88 MET ME 2 126 VAL MG1 . . 2.660 2.003 1.791 2.447 . 0 0 "[ . 1 . 2]" 1
1904 2 88 MET ME 2 127 GLN H . . 3.750 3.344 3.024 3.751 0.001 19 0 "[ . 1 . 2]" 1
1905 2 88 MET ME 2 127 GLN HA . . 3.300 2.062 1.883 2.274 . 0 0 "[ . 1 . 2]" 1
1906 2 88 MET ME 2 127 GLN HG3 . . 3.880 3.536 2.930 3.874 . 0 0 "[ . 1 . 2]" 1
1907 2 88 MET ME 2 130 CYS H . . 4.400 3.395 3.131 3.628 . 0 0 "[ . 1 . 2]" 1
1908 2 88 MET ME 2 130 CYS HB2 . . 3.840 2.958 2.502 3.458 . 0 0 "[ . 1 . 2]" 1
1909 2 88 MET ME 2 130 CYS HG . . 4.340 2.149 1.873 3.252 . 0 0 "[ . 1 . 2]" 1
1910 2 88 MET HG3 2 89 GLY H . . 4.880 4.572 4.399 4.766 . 0 0 "[ . 1 . 2]" 1
1911 2 88 MET HG3 2 97 PHE QE . . 4.740 4.384 3.858 4.750 0.010 17 0 "[ . 1 . 2]" 1
1912 2 89 GLY H 2 90 VAL H . . 5.160 4.207 4.021 4.299 . 0 0 "[ . 1 . 2]" 1
1913 2 89 GLY H 2 97 PHE QE . . 4.740 3.804 3.329 4.445 . 0 0 "[ . 1 . 2]" 1
1914 2 89 GLY H 2 98 ALA H . . 4.040 3.382 3.226 3.585 . 0 0 "[ . 1 . 2]" 1
1915 2 89 GLY H 2 98 ALA MB . . 5.020 3.839 3.504 4.011 . 0 0 "[ . 1 . 2]" 1
1916 2 89 GLY H 2 99 PHE HA . . 4.510 3.495 3.365 3.614 . 0 0 "[ . 1 . 2]" 1
1917 2 89 GLY HA2 2 90 VAL MG1 . . 4.210 2.973 2.891 3.042 . 0 0 "[ . 1 . 2]" 1
1918 2 90 VAL H 2 90 VAL HB . . 4.150 3.743 3.687 3.787 . 0 0 "[ . 1 . 2]" 1
1919 2 90 VAL H 2 90 VAL MG1 . . 3.880 2.113 1.980 2.234 . 0 0 "[ . 1 . 2]" 1
1920 2 90 VAL H 2 90 VAL MG2 . . 3.780 3.004 2.897 3.159 . 0 0 "[ . 1 . 2]" 1
1921 2 90 VAL H 2 91 GLY H . . 5.490 4.451 4.424 4.486 . 0 0 "[ . 1 . 2]" 1
1922 2 90 VAL HA 2 90 VAL MG1 . . 3.490 2.864 2.794 2.941 . 0 0 "[ . 1 . 2]" 1
1923 2 90 VAL HA 2 91 GLY H . . 3.560 2.496 2.306 2.570 . 0 0 "[ . 1 . 2]" 1
1924 2 90 VAL HA 2 97 PHE HA . . 3.990 2.714 2.620 2.931 . 0 0 "[ . 1 . 2]" 1
1925 2 90 VAL HA 2 98 ALA H . . 4.540 2.966 2.865 3.062 . 0 0 "[ . 1 . 2]" 1
1926 2 90 VAL HB 2 91 GLY H . . 5.090 2.995 2.858 3.237 . 0 0 "[ . 1 . 2]" 1
1927 2 90 VAL HB 2 94 VAL HA . . 4.860 2.833 2.352 3.264 . 0 0 "[ . 1 . 2]" 1
1928 2 90 VAL HB 2 97 PHE HA . . 4.170 3.238 3.058 3.349 . 0 0 "[ . 1 . 2]" 1
1929 2 90 VAL HB 2 98 ALA H . . 4.660 4.632 4.530 4.694 0.034 18 0 "[ . 1 . 2]" 1
1930 2 90 VAL MG1 2 91 GLY H . . 4.320 4.149 4.075 4.335 0.015 14 0 "[ . 1 . 2]" 1
1931 2 90 VAL MG1 2 94 VAL HA . . 4.310 2.883 2.646 3.097 . 0 0 "[ . 1 . 2]" 1
1932 2 90 VAL MG1 2 94 VAL HB . . 3.830 3.622 3.104 3.856 0.026 5 0 "[ . 1 . 2]" 1
1933 2 90 VAL MG1 2 97 PHE HA . . 4.100 3.590 3.462 3.687 . 0 0 "[ . 1 . 2]" 1
1934 2 90 VAL MG1 2 97 PHE HB2 . . 4.200 4.224 4.192 4.255 0.055 14 0 "[ . 1 . 2]" 1
1935 2 90 VAL MG1 2 97 PHE QD . . 3.620 3.098 2.874 3.300 . 0 0 "[ . 1 . 2]" 1
1936 2 90 VAL MG1 2 98 ALA H . . 4.550 4.511 4.383 4.581 0.031 12 0 "[ . 1 . 2]" 1
1937 2 90 VAL MG1 2 123 SER HB2 . . 4.510 4.124 3.504 4.548 0.038 17 0 "[ . 1 . 2]" 1
1938 2 90 VAL MG1 2 123 SER HB3 . . 4.540 3.936 3.576 4.337 . 0 0 "[ . 1 . 2]" 1
1939 2 90 VAL MG2 2 91 GLY H . . 3.580 2.175 1.952 2.835 . 0 0 "[ . 1 . 2]" 1
1940 2 90 VAL MG2 2 94 VAL H . . 4.950 3.669 3.245 4.101 . 0 0 "[ . 1 . 2]" 1
1941 2 90 VAL MG2 2 94 VAL HA . . 3.140 2.107 1.958 2.452 . 0 0 "[ . 1 . 2]" 1
1942 2 90 VAL MG2 2 94 VAL HB . . 4.090 3.749 3.350 4.008 . 0 0 "[ . 1 . 2]" 1
1943 2 90 VAL MG2 2 94 VAL MG1 . . 3.240 2.583 2.193 3.126 . 0 0 "[ . 1 . 2]" 1
1944 2 91 GLY H 2 92 LYS H . . 4.660 3.507 3.177 4.079 . 0 0 "[ . 1 . 2]" 1
1945 2 91 GLY H 2 96 THR H . . 4.810 4.537 4.249 4.840 0.030 5 0 "[ . 1 . 2]" 1
1946 2 91 GLY H 2 96 THR HB . . 4.730 4.207 3.798 4.551 . 0 0 "[ . 1 . 2]" 1
1947 2 91 GLY H 2 97 PHE HA . . 4.830 4.511 4.234 4.804 . 0 0 "[ . 1 . 2]" 1
1948 2 91 GLY HA2 2 93 ASP H . . 4.960 4.900 4.260 5.282 0.322 18 0 "[ . 1 . 2]" 1
1949 2 92 LYS H 2 92 LYS HB2 . . 3.250 2.744 2.534 3.600 0.350 18 0 "[ . 1 . 2]" 1
1950 2 92 LYS H 2 92 LYS HG2 . . 3.500 2.655 2.099 3.853 0.353 19 0 "[ . 1 . 2]" 1
1951 2 92 LYS H 2 93 ASP H . . 3.860 2.147 1.907 2.502 . 0 0 "[ . 1 . 2]" 1
1952 2 92 LYS HA 2 92 LYS HB3 . . 3.010 2.443 2.382 2.733 . 0 0 "[ . 1 . 2]" 1
1953 2 92 LYS HA 2 92 LYS HG2 . . 3.490 2.930 2.666 3.839 0.349 17 0 "[ . 1 . 2]" 1
1954 2 92 LYS HB2 2 93 ASP H . . 3.630 3.238 2.774 4.320 0.690 7 1 "[ . + 1 . 2]" 1
1955 2 92 LYS HB3 2 92 LYS HG2 . . 3.050 2.816 2.397 3.036 . 0 0 "[ . 1 . 2]" 1
1956 2 92 LYS HE2 2 92 LYS HG2 . . 3.420 2.691 2.003 3.538 0.118 7 0 "[ . 1 . 2]" 1
1957 2 92 LYS HE3 2 92 LYS HG3 . . 3.680 2.979 2.102 4.071 0.391 15 0 "[ . 1 . 2]" 1
1958 2 92 LYS HG2 2 93 ASP H . . 4.290 4.107 2.051 5.185 0.895 15 4 "[ *. - 1 + *2]" 1
1959 2 93 ASP H 2 93 ASP HB2 . . 3.640 2.326 2.144 2.544 . 0 0 "[ . 1 . 2]" 1
1960 2 93 ASP H 2 93 ASP HB3 . . 3.580 3.240 3.007 3.383 . 0 0 "[ . 1 . 2]" 1
1961 2 93 ASP HA 2 94 VAL H . . 3.270 2.321 2.252 2.422 . 0 0 "[ . 1 . 2]" 1
1962 2 93 ASP HA 2 94 VAL MG1 . . 3.940 3.483 3.269 3.699 . 0 0 "[ . 1 . 2]" 1
1963 2 93 ASP HB2 2 94 VAL H . . 4.850 4.413 4.175 4.656 . 0 0 "[ . 1 . 2]" 1
1964 2 93 ASP HB2 2 95 HIS H . . 4.950 4.173 3.747 4.693 . 0 0 "[ . 1 . 2]" 1
1965 2 93 ASP HB2 2 96 THR H . . 4.960 4.105 3.865 4.345 . 0 0 "[ . 1 . 2]" 1
1966 2 93 ASP HB2 2 96 THR MG . . 3.490 2.811 2.198 3.384 . 0 0 "[ . 1 . 2]" 1
1967 2 93 ASP HB3 2 94 VAL H . . 4.570 3.404 2.913 3.927 . 0 0 "[ . 1 . 2]" 1
1968 2 93 ASP HB3 2 96 THR H . . 5.100 2.894 2.714 3.081 . 0 0 "[ . 1 . 2]" 1
1969 2 93 ASP HB3 2 96 THR MG . . 3.610 2.554 2.066 3.218 . 0 0 "[ . 1 . 2]" 1
1970 2 94 VAL H 2 94 VAL MG1 . . 3.210 2.040 1.906 2.172 . 0 0 "[ . 1 . 2]" 1
1971 2 94 VAL H 2 94 VAL MG2 . . 3.110 2.216 2.033 2.417 . 0 0 "[ . 1 . 2]" 1
1972 2 94 VAL H 2 95 HIS H . . 4.320 2.558 2.277 2.956 . 0 0 "[ . 1 . 2]" 1
1973 2 94 VAL HA 2 94 VAL MG1 . . 3.110 2.426 2.316 2.534 . 0 0 "[ . 1 . 2]" 1
1974 2 94 VAL HA 2 94 VAL MG2 . . 3.510 3.204 3.170 3.221 . 0 0 "[ . 1 . 2]" 1
1975 2 94 VAL HA 2 96 THR H . . 3.910 3.475 3.278 3.728 . 0 0 "[ . 1 . 2]" 1
1976 2 94 VAL MG1 2 95 HIS H . . 4.720 3.929 3.704 4.139 . 0 0 "[ . 1 . 2]" 1
1977 2 94 VAL MG1 2 118 ASN HB2 . . 4.400 4.164 3.864 4.481 0.081 19 0 "[ . 1 . 2]" 1
1978 2 94 VAL MG2 2 95 HIS H . . 3.770 2.508 2.044 3.187 . 0 0 "[ . 1 . 2]" 1
1979 2 94 VAL MG2 2 95 HIS HE1 . . 4.570 3.284 2.525 3.539 . 0 0 "[ . 1 . 2]" 1
1980 2 94 VAL MG2 2 118 ASN HA . . 3.370 2.437 2.096 2.909 . 0 0 "[ . 1 . 2]" 1
1981 2 94 VAL MG2 2 118 ASN HB2 . . 3.520 2.067 1.911 2.265 . 0 0 "[ . 1 . 2]" 1
1982 2 94 VAL MG2 2 118 ASN HB3 . . 4.000 2.114 1.868 2.473 . 0 0 "[ . 1 . 2]" 1
1983 2 94 VAL MG2 2 118 ASN HD21 . . 4.380 3.110 2.984 3.202 . 0 0 "[ . 1 . 2]" 1
1984 2 94 VAL MG2 2 118 ASN HD22 . . 4.530 4.522 4.394 4.577 0.047 18 0 "[ . 1 . 2]" 1
1985 2 94 VAL MG2 2 119 ALA H . . 4.190 2.770 2.446 2.969 . 0 0 "[ . 1 . 2]" 1
1986 2 94 VAL MG2 2 119 ALA MB . . 4.100 4.024 3.824 4.135 0.035 13 0 "[ . 1 . 2]" 1
1987 2 95 HIS H 2 96 THR H . . 3.640 2.649 2.267 2.944 . 0 0 "[ . 1 . 2]" 1
1988 2 95 HIS H 2 96 THR MG . . 4.440 3.801 3.309 4.439 . 0 0 "[ . 1 . 2]" 1
1989 2 95 HIS HA 2 95 HIS HD2 . . 4.380 3.762 3.621 4.274 . 0 0 "[ . 1 . 2]" 1
1990 2 95 HIS HA 2 115 CYS H . . 4.580 3.761 3.539 3.888 . 0 0 "[ . 1 . 2]" 1
1991 2 95 HIS HA 2 115 CYS HB2 . . 4.680 3.548 3.193 3.930 . 0 0 "[ . 1 . 2]" 1
1992 2 95 HIS HA 2 118 ASN H . . 4.810 4.764 4.641 4.831 0.021 8 0 "[ . 1 . 2]" 1
1993 2 95 HIS HA 2 118 ASN HA . . 3.360 2.102 1.994 2.214 . 0 0 "[ . 1 . 2]" 1
1994 2 95 HIS HA 2 118 ASN HB2 . . 4.450 4.128 3.864 4.370 . 0 0 "[ . 1 . 2]" 1
1995 2 95 HIS HA 2 118 ASN HB3 . . 4.340 4.326 4.071 4.458 0.118 15 0 "[ . 1 . 2]" 1
1996 2 95 HIS HA 2 119 ALA H . . 3.940 3.058 2.652 3.463 . 0 0 "[ . 1 . 2]" 1
1997 2 95 HIS HA 2 119 ALA MB . . 4.090 3.322 2.941 3.677 . 0 0 "[ . 1 . 2]" 1
1998 2 95 HIS HB2 2 96 THR H . . 4.300 3.224 2.899 3.482 . 0 0 "[ . 1 . 2]" 1
1999 2 95 HIS HB2 2 96 THR MG . . 3.650 2.835 2.637 3.050 . 0 0 "[ . 1 . 2]" 1
2000 2 95 HIS HB2 2 114 TRP HH2 . . 4.800 3.907 3.269 4.679 . 0 0 "[ . 1 . 2]" 1
2001 2 95 HIS HB2 2 115 CYS H . . 4.570 4.603 4.574 4.636 0.066 11 0 "[ . 1 . 2]" 1
2002 2 95 HIS HB3 2 115 CYS H . . 4.220 3.888 3.550 4.220 . 0 0 "[ . 1 . 2]" 1
2003 2 95 HIS HB3 2 118 ASN HA . . 4.760 3.732 3.409 4.137 . 0 0 "[ . 1 . 2]" 1
2004 2 95 HIS HD2 2 116 GLU HA . . 3.750 3.702 3.297 3.805 0.055 12 0 "[ . 1 . 2]" 1
2005 2 95 HIS HD2 2 117 PRO HA . . 4.360 3.286 3.053 3.461 . 0 0 "[ . 1 . 2]" 1
2006 2 95 HIS HD2 2 117 PRO HB3 . . 4.630 4.335 4.094 4.597 . 0 0 "[ . 1 . 2]" 1
2007 2 95 HIS HD2 2 118 ASN H . . 5.010 4.726 4.213 5.066 0.056 15 0 "[ . 1 . 2]" 1
2008 2 95 HIS HD2 2 118 ASN HA . . 4.410 3.547 3.048 3.978 . 0 0 "[ . 1 . 2]" 1
2009 2 96 THR H 2 96 THR MG . . 3.440 2.377 2.028 2.731 . 0 0 "[ . 1 . 2]" 1
2010 2 96 THR H 2 97 PHE H . . 4.960 4.548 4.384 4.603 . 0 0 "[ . 1 . 2]" 1
2011 2 96 THR HA 2 96 THR MG . . 3.290 2.488 2.284 2.612 . 0 0 "[ . 1 . 2]" 1
2012 2 96 THR HA 2 97 PHE H . . 3.320 2.295 2.156 2.406 . 0 0 "[ . 1 . 2]" 1
2013 2 96 THR HA 2 97 PHE HB3 . . 4.550 4.181 4.120 4.280 . 0 0 "[ . 1 . 2]" 1
2014 2 96 THR HA 2 114 TRP HA . . 4.050 2.631 2.459 2.932 . 0 0 "[ . 1 . 2]" 1
2015 2 96 THR HA 2 115 CYS H . . 4.910 3.151 3.001 3.411 . 0 0 "[ . 1 . 2]" 1
2016 2 96 THR HA 2 115 CYS HG . . 5.280 3.589 3.047 4.626 . 0 0 "[ . 1 . 2]" 1
2017 2 96 THR HA 2 119 ALA MB . . 4.440 3.922 3.588 4.205 . 0 0 "[ . 1 . 2]" 1
2018 2 96 THR HB 2 97 PHE H . . 3.890 2.995 2.650 3.514 . 0 0 "[ . 1 . 2]" 1
2019 2 96 THR MG 2 97 PHE H . . 4.160 4.075 3.862 4.211 0.051 7 0 "[ . 1 . 2]" 1
2020 2 96 THR MG 2 114 TRP HE3 . . 3.350 2.233 1.864 2.638 . 0 0 "[ . 1 . 2]" 1
2021 2 96 THR MG 2 114 TRP HH2 . . 4.870 3.993 3.585 4.377 . 0 0 "[ . 1 . 2]" 1
2022 2 96 THR MG 2 114 TRP HZ3 . . 3.610 2.488 1.940 3.136 . 0 0 "[ . 1 . 2]" 1
2023 2 96 THR MG 2 115 CYS H . . 4.540 4.274 4.038 4.469 . 0 0 "[ . 1 . 2]" 1
2024 2 97 PHE H 2 97 PHE HB2 . . 4.170 3.300 3.087 3.410 . 0 0 "[ . 1 . 2]" 1
2025 2 97 PHE H 2 97 PHE QD . . 4.770 4.278 4.121 4.365 . 0 0 "[ . 1 . 2]" 1
2026 2 97 PHE H 2 98 ALA H . . 5.130 4.034 3.909 4.251 . 0 0 "[ . 1 . 2]" 1
2027 2 97 PHE H 2 112 VAL MG1 . . 4.580 2.986 2.738 3.450 . 0 0 "[ . 1 . 2]" 1
2028 2 97 PHE H 2 113 PHE H . . 4.420 2.426 2.251 2.792 . 0 0 "[ . 1 . 2]" 1
2029 2 97 PHE H 2 113 PHE HB2 . . 4.770 3.316 2.920 3.678 . 0 0 "[ . 1 . 2]" 1
2030 2 97 PHE H 2 113 PHE QD . . 5.370 4.373 4.082 4.539 . 0 0 "[ . 1 . 2]" 1
2031 2 97 PHE H 2 114 TRP HA . . 4.590 4.052 3.767 4.298 . 0 0 "[ . 1 . 2]" 1
2032 2 97 PHE H 2 115 CYS H . . 4.980 4.475 4.097 4.932 . 0 0 "[ . 1 . 2]" 1
2033 2 97 PHE H 2 115 CYS HG . . 4.600 3.706 2.866 4.330 . 0 0 "[ . 1 . 2]" 1
2034 2 97 PHE H 2 119 ALA MB . . 4.400 4.067 3.610 4.393 . 0 0 "[ . 1 . 2]" 1
2035 2 97 PHE HA 2 97 PHE QD . . 3.720 2.471 2.351 2.666 . 0 0 "[ . 1 . 2]" 1
2036 2 97 PHE HA 2 97 PHE QE . . 4.610 4.657 4.620 4.728 0.118 17 0 "[ . 1 . 2]" 1
2037 2 97 PHE HA 2 98 ALA H . . 3.310 2.195 2.193 2.198 . 0 0 "[ . 1 . 2]" 1
2038 2 97 PHE HA 2 98 ALA MB . . 4.290 3.979 3.922 4.017 . 0 0 "[ . 1 . 2]" 1
2039 2 97 PHE HA 2 119 ALA MB . . 3.940 3.735 3.575 3.910 . 0 0 "[ . 1 . 2]" 1
2040 2 97 PHE HA 2 122 VAL QG . . 4.700 4.624 4.573 4.661 . 0 0 "[ . 1 . 2]" 1
2041 2 97 PHE HB2 2 98 ALA H . . 4.510 4.426 4.364 4.465 . 0 0 "[ . 1 . 2]" 1
2042 2 97 PHE HB2 2 115 CYS HG . . 4.570 3.443 2.930 4.582 0.012 14 0 "[ . 1 . 2]" 1
2043 2 97 PHE HB2 2 119 ALA MB . . 3.360 2.013 1.842 2.161 . 0 0 "[ . 1 . 2]" 1
2044 2 97 PHE HB3 2 98 ALA H . . 4.790 4.477 4.421 4.508 . 0 0 "[ . 1 . 2]" 1
2045 2 97 PHE HB3 2 113 PHE HB2 . . 4.430 2.820 2.623 3.091 . 0 0 "[ . 1 . 2]" 1
2046 2 97 PHE HB3 2 113 PHE QD . . 4.870 4.219 4.018 4.426 . 0 0 "[ . 1 . 2]" 1
2047 2 97 PHE HB3 2 115 CYS HG . . 4.690 2.913 2.646 3.649 . 0 0 "[ . 1 . 2]" 1
2048 2 97 PHE HB3 2 119 ALA MB . . 3.990 3.017 2.676 3.253 . 0 0 "[ . 1 . 2]" 1
2049 2 97 PHE HB3 2 122 VAL QG . . 4.330 2.732 2.630 2.874 . 0 0 "[ . 1 . 2]" 1
2050 2 97 PHE QD 2 98 ALA H . . 3.900 3.344 2.894 3.710 . 0 0 "[ . 1 . 2]" 1
2051 2 97 PHE QD 2 113 PHE HB2 . . 4.510 3.260 3.043 3.694 . 0 0 "[ . 1 . 2]" 1
2052 2 97 PHE QD 2 115 CYS HG . . 5.230 4.356 3.974 4.710 . 0 0 "[ . 1 . 2]" 1
2053 2 97 PHE QD 2 119 ALA MB . . 3.790 3.395 3.060 3.740 . 0 0 "[ . 1 . 2]" 1
2054 2 97 PHE QD 2 122 VAL QG . . 3.500 2.086 1.886 2.455 . 0 0 "[ . 1 . 2]" 1
2055 2 97 PHE QD 2 123 SER HB2 . . 4.190 3.936 2.516 4.216 0.026 17 0 "[ . 1 . 2]" 1
2056 2 97 PHE QD 2 123 SER HB3 . . 4.170 3.624 3.151 4.192 0.022 18 0 "[ . 1 . 2]" 1
2057 2 97 PHE QE 2 122 VAL QG . . 4.610 2.721 2.440 3.177 . 0 0 "[ . 1 . 2]" 1
2058 2 97 PHE QE 2 123 SER HA . . 3.780 2.943 2.542 3.399 . 0 0 "[ . 1 . 2]" 1
2059 2 97 PHE QE 2 123 SER HB2 . . 4.570 3.733 2.887 4.500 . 0 0 "[ . 1 . 2]" 1
2060 2 97 PHE QE 2 126 VAL HB . . 4.470 3.534 3.354 3.676 . 0 0 "[ . 1 . 2]" 1
2061 2 97 PHE QE 2 126 VAL MG1 . . 3.470 3.060 2.756 3.288 . 0 0 "[ . 1 . 2]" 1
2062 2 97 PHE QE 2 126 VAL MG2 . . 3.570 2.254 2.023 2.551 . 0 0 "[ . 1 . 2]" 1
2063 2 97 PHE HZ 2 123 SER HA . . 4.370 3.162 2.867 3.843 . 0 0 "[ . 1 . 2]" 1
2064 2 97 PHE HZ 2 126 VAL HB . . 4.140 2.551 2.358 2.778 . 0 0 "[ . 1 . 2]" 1
2065 2 97 PHE HZ 2 126 VAL MG1 . . 3.580 2.123 1.964 2.391 . 0 0 "[ . 1 . 2]" 1
2066 2 97 PHE HZ 2 126 VAL MG2 . . 3.460 2.558 2.257 2.876 . 0 0 "[ . 1 . 2]" 1
2067 2 98 ALA H 2 98 ALA MB . . 3.520 2.391 2.301 2.469 . 0 0 "[ . 1 . 2]" 1
2068 2 98 ALA HA 2 99 PHE H . . 3.200 2.494 2.339 2.574 . 0 0 "[ . 1 . 2]" 1
2069 2 98 ALA HA 2 112 VAL H . . 4.340 4.390 4.348 4.466 0.126 13 0 "[ . 1 . 2]" 1
2070 2 98 ALA HA 2 112 VAL HA . . 3.850 2.051 1.964 2.217 . 0 0 "[ . 1 . 2]" 1
2071 2 98 ALA HA 2 112 VAL MG1 . . 4.240 3.478 3.247 3.635 . 0 0 "[ . 1 . 2]" 1
2072 2 98 ALA HA 2 112 VAL MG2 . . 3.900 3.293 3.036 3.446 . 0 0 "[ . 1 . 2]" 1
2073 2 98 ALA HA 2 113 PHE H . . 4.400 3.766 3.593 3.944 . 0 0 "[ . 1 . 2]" 1
2074 2 98 ALA HA 2 113 PHE QD . . 4.300 3.039 2.854 3.246 . 0 0 "[ . 1 . 2]" 1
2075 2 98 ALA HA 2 113 PHE QE . . 4.800 4.125 3.968 4.384 . 0 0 "[ . 1 . 2]" 1
2076 2 98 ALA MB 2 99 PHE H . . 3.350 2.490 2.268 2.796 . 0 0 "[ . 1 . 2]" 1
2077 2 98 ALA MB 2 99 PHE HA . . 4.810 3.853 3.810 3.956 . 0 0 "[ . 1 . 2]" 1
2078 2 98 ALA MB 2 99 PHE QD . . 4.840 4.699 4.611 4.839 . 0 0 "[ . 1 . 2]" 1
2079 2 98 ALA MB 2 111 HIS H . . 4.620 3.745 3.279 4.018 . 0 0 "[ . 1 . 2]" 1
2080 2 98 ALA MB 2 112 VAL HA . . 3.630 2.454 2.129 2.693 . 0 0 "[ . 1 . 2]" 1
2081 2 98 ALA MB 2 112 VAL MG2 . . 2.760 1.775 1.717 1.909 . 0 0 "[ . 1 . 2]" 1
2082 2 98 ALA MB 2 113 PHE H . . 4.250 3.907 3.686 4.142 . 0 0 "[ . 1 . 2]" 1
2083 2 98 ALA MB 2 113 PHE QD . . 4.480 4.323 4.145 4.503 0.023 10 0 "[ . 1 . 2]" 1
2084 2 99 PHE H 2 99 PHE QD . . 4.380 3.364 3.191 3.480 . 0 0 "[ . 1 . 2]" 1
2085 2 99 PHE H 2 100 ILE H . . 5.020 4.269 4.221 4.335 . 0 0 "[ . 1 . 2]" 1
2086 2 99 PHE H 2 110 CYS HG . . 4.810 2.897 2.361 4.079 . 0 0 "[ . 1 . 2]" 1
2087 2 99 PHE H 2 111 HIS H . . 3.990 2.500 2.261 2.704 . 0 0 "[ . 1 . 2]" 1
2088 2 99 PHE H 2 111 HIS HB2 . . 4.700 3.857 3.574 4.033 . 0 0 "[ . 1 . 2]" 1
2089 2 99 PHE H 2 111 HIS HB3 . . 5.180 5.049 4.799 5.202 0.022 16 0 "[ . 1 . 2]" 1
2090 2 99 PHE H 2 112 VAL HA . . 4.610 3.980 3.820 4.301 . 0 0 "[ . 1 . 2]" 1
2091 2 99 PHE H 2 112 VAL MG2 . . 4.270 3.997 3.633 4.214 . 0 0 "[ . 1 . 2]" 1
2092 2 99 PHE H 2 113 PHE QE . . 4.770 4.488 4.089 4.751 . 0 0 "[ . 1 . 2]" 1
2093 2 99 PHE HA 2 99 PHE QD . . 4.130 3.687 3.671 3.705 . 0 0 "[ . 1 . 2]" 1
2094 2 99 PHE HA 2 100 ILE HB . . 4.610 4.442 4.343 4.515 . 0 0 "[ . 1 . 2]" 1
2095 2 99 PHE HA 2 100 ILE MD . . 4.340 3.888 3.569 4.253 . 0 0 "[ . 1 . 2]" 1
2096 2 99 PHE HA 2 100 ILE HG13 . . 4.710 3.996 3.875 4.284 . 0 0 "[ . 1 . 2]" 1
2097 2 99 PHE HB2 2 100 ILE H . . 4.140 3.081 2.985 3.133 . 0 0 "[ . 1 . 2]" 1
2098 2 99 PHE HB3 2 100 ILE H . . 4.230 4.215 4.177 4.249 0.019 10 0 "[ . 1 . 2]" 1
2099 2 99 PHE QD 2 100 ILE H . . 4.460 3.446 3.274 3.520 . 0 0 "[ . 1 . 2]" 1
2100 2 99 PHE QD 2 101 MET HB2 . . 4.450 4.350 4.230 4.467 0.017 18 0 "[ . 1 . 2]" 1
2101 2 99 PHE QD 2 101 MET HB3 . . 4.100 2.679 2.564 2.861 . 0 0 "[ . 1 . 2]" 1
2102 2 99 PHE QE 2 101 MET HB2 . . 4.120 3.581 3.422 3.745 . 0 0 "[ . 1 . 2]" 1
2103 2 99 PHE QE 2 101 MET HB3 . . 4.100 2.194 2.024 2.431 . 0 0 "[ . 1 . 2]" 1
2104 2 99 PHE QE 2 101 MET ME . . 4.100 3.647 3.468 3.775 . 0 0 "[ . 1 . 2]" 1
2105 2 99 PHE QE 2 101 MET HG2 . . 4.080 3.110 2.702 3.800 . 0 0 "[ . 1 . 2]" 1
2106 2 99 PHE QE 2 111 HIS HB2 . . 4.530 2.803 2.668 2.966 . 0 0 "[ . 1 . 2]" 1
2107 2 99 PHE QE 2 111 HIS HD2 . . 4.050 2.151 1.987 2.461 . 0 0 "[ . 1 . 2]" 1
2108 2 99 PHE HZ 2 101 MET ME . . 4.730 4.694 4.434 4.763 0.033 16 0 "[ . 1 . 2]" 1
2109 2 99 PHE HZ 2 111 HIS HB2 . . 4.050 2.666 2.521 2.930 . 0 0 "[ . 1 . 2]" 1
2110 2 100 ILE H 2 100 ILE HB . . 3.870 2.314 2.246 2.389 . 0 0 "[ . 1 . 2]" 1
2111 2 100 ILE H 2 100 ILE MD . . 4.160 2.996 2.795 3.287 . 0 0 "[ . 1 . 2]" 1
2112 2 100 ILE H 2 100 ILE MG . . 4.630 3.671 3.599 3.721 . 0 0 "[ . 1 . 2]" 1
2113 2 100 ILE HA 2 100 ILE MD . . 4.090 3.732 3.646 3.763 . 0 0 "[ . 1 . 2]" 1
2114 2 100 ILE HA 2 100 ILE MG . . 3.550 2.529 2.417 2.611 . 0 0 "[ . 1 . 2]" 1
2115 2 100 ILE HA 2 101 MET H . . 3.480 2.219 2.183 2.320 . 0 0 "[ . 1 . 2]" 1
2116 2 100 ILE HA 2 110 CYS HA . . 3.830 2.430 2.162 2.734 . 0 0 "[ . 1 . 2]" 1
2117 2 100 ILE HA 2 110 CYS HG . . 5.170 3.716 3.348 4.142 . 0 0 "[ . 1 . 2]" 1
2118 2 100 ILE HA 2 111 HIS H . . 4.380 3.881 3.588 4.063 . 0 0 "[ . 1 . 2]" 1
2119 2 100 ILE HB 2 100 ILE MD . . 3.590 2.091 1.933 2.181 . 0 0 "[ . 1 . 2]" 1
2120 2 100 ILE MD 2 100 ILE MG . . 2.890 2.582 2.352 2.698 . 0 0 "[ . 1 . 2]" 1
2121 2 100 ILE MD 2 110 CYS HB2 . . 4.270 3.912 3.470 4.246 . 0 0 "[ . 1 . 2]" 1
2122 2 100 ILE MD 2 110 CYS HG . . 4.490 3.736 3.106 4.280 . 0 0 "[ . 1 . 2]" 1
2123 2 100 ILE HG12 2 110 CYS HA . . 4.170 3.913 3.549 4.118 . 0 0 "[ . 1 . 2]" 1
2124 2 100 ILE HG12 2 110 CYS HG . . 4.660 3.996 3.152 4.539 . 0 0 "[ . 1 . 2]" 1
2125 2 100 ILE HG13 2 101 MET H . . 4.500 4.473 4.279 4.527 0.027 7 0 "[ . 1 . 2]" 1
2126 2 100 ILE HG13 2 110 CYS HA . . 4.260 3.107 2.726 3.355 . 0 0 "[ . 1 . 2]" 1
2127 2 100 ILE MG 2 101 MET H . . 3.500 2.578 2.188 2.893 . 0 0 "[ . 1 . 2]" 1
2128 2 100 ILE MG 2 101 MET HA . . 4.680 3.444 3.228 3.592 . 0 0 "[ . 1 . 2]" 1
2129 2 100 ILE MG 2 108 PHE H . . 5.210 5.134 4.779 5.223 0.013 15 0 "[ . 1 . 2]" 1
2130 2 100 ILE MG 2 108 PHE HA . . 4.570 3.500 2.937 4.017 . 0 0 "[ . 1 . 2]" 1
2131 2 100 ILE MG 2 108 PHE HB2 . . 3.700 3.348 3.005 3.620 . 0 0 "[ . 1 . 2]" 1
2132 2 100 ILE MG 2 108 PHE HB3 . . 3.390 2.069 1.829 2.248 . 0 0 "[ . 1 . 2]" 1
2133 2 100 ILE MG 2 108 PHE QD . . 3.800 3.376 3.062 3.643 . 0 0 "[ . 1 . 2]" 1
2134 2 100 ILE MG 2 109 GLU H . . 3.870 3.239 2.719 3.610 . 0 0 "[ . 1 . 2]" 1
2135 2 100 ILE MG 2 110 CYS HA . . 4.350 4.140 3.767 4.331 . 0 0 "[ . 1 . 2]" 1
2136 2 101 MET H 2 101 MET HB2 . . 3.930 3.794 3.721 3.882 . 0 0 "[ . 1 . 2]" 1
2137 2 101 MET H 2 101 MET HB3 . . 3.900 3.014 2.846 3.267 . 0 0 "[ . 1 . 2]" 1
2138 2 101 MET H 2 101 MET HG2 . . 3.590 2.308 2.095 3.386 . 0 0 "[ . 1 . 2]" 1
2139 2 101 MET H 2 108 PHE HA . . 4.790 4.171 3.627 4.780 . 0 0 "[ . 1 . 2]" 1
2140 2 101 MET H 2 109 GLU H . . 4.130 2.616 2.282 3.124 . 0 0 "[ . 1 . 2]" 1
2141 2 101 MET H 2 111 HIS H . . 5.170 4.909 4.612 5.188 0.018 15 0 "[ . 1 . 2]" 1
2142 2 101 MET HA 2 101 MET ME . . 4.260 4.175 4.049 4.271 0.011 17 0 "[ . 1 . 2]" 1
2143 2 101 MET HA 2 101 MET HG3 . . 4.130 3.703 3.579 3.744 . 0 0 "[ . 1 . 2]" 1
2144 2 101 MET HA 2 102 ASP H . . 3.390 2.325 2.273 2.446 . 0 0 "[ . 1 . 2]" 1
2145 2 101 MET HA 2 102 ASP HA . . 4.640 4.311 4.294 4.341 . 0 0 "[ . 1 . 2]" 1
2146 2 101 MET HA 2 102 ASP HB2 . . 4.650 4.486 4.331 4.632 . 0 0 "[ . 1 . 2]" 1
2147 2 101 MET HA 2 102 ASP HB3 . . 4.830 4.622 4.468 4.818 . 0 0 "[ . 1 . 2]" 1
2148 2 101 MET HB2 2 102 ASP H . . 4.420 2.976 2.706 3.144 . 0 0 "[ . 1 . 2]" 1
2149 2 101 MET HB3 2 111 HIS HD2 . . 4.390 3.538 3.255 3.883 . 0 0 "[ . 1 . 2]" 1
2150 2 101 MET ME 2 101 MET HG3 . . 3.020 2.418 2.293 3.377 0.357 13 0 "[ . 1 . 2]" 1
2151 2 101 MET ME 2 102 ASP H . . 4.110 4.001 3.772 4.127 0.017 15 0 "[ . 1 . 2]" 1
2152 2 101 MET ME 2 103 THR HA . . 3.630 3.583 3.049 3.676 0.046 16 0 "[ . 1 . 2]" 1
2153 2 101 MET ME 2 103 THR MG . . 2.970 2.441 1.864 2.969 . 0 0 "[ . 1 . 2]" 1
2154 2 101 MET ME 2 111 HIS HD2 . . 4.380 4.149 3.845 4.350 . 0 0 "[ . 1 . 2]" 1
2155 2 101 MET HG2 2 109 GLU HB2 . . 3.890 2.689 2.181 4.113 0.223 16 0 "[ . 1 . 2]" 1
2156 2 101 MET HG2 2 111 HIS HD2 . . 3.760 2.679 2.102 3.397 . 0 0 "[ . 1 . 2]" 1
2157 2 101 MET HG3 2 102 ASP H . . 4.830 3.864 3.570 4.078 . 0 0 "[ . 1 . 2]" 1
2158 2 101 MET HG3 2 103 THR MG . . 3.510 2.209 1.902 2.972 . 0 0 "[ . 1 . 2]" 1
2159 2 101 MET HG3 2 109 GLU H . . 4.090 3.150 2.408 3.430 . 0 0 "[ . 1 . 2]" 1
2160 2 101 MET HG3 2 109 GLU HB3 . . 4.290 4.215 3.575 4.729 0.439 2 0 "[ . 1 . 2]" 1
2161 2 102 ASP H 2 102 ASP HB2 . . 4.160 2.743 2.560 3.021 . 0 0 "[ . 1 . 2]" 1
2162 2 102 ASP H 2 102 ASP HB3 . . 4.090 2.387 2.256 2.536 . 0 0 "[ . 1 . 2]" 1
2163 2 102 ASP H 2 103 THR H . . 5.400 4.368 4.145 4.577 . 0 0 "[ . 1 . 2]" 1
2164 2 102 ASP H 2 108 PHE QD . . 4.790 4.627 4.066 4.799 0.009 15 0 "[ . 1 . 2]" 1
2165 2 102 ASP HA 2 103 THR H . . 3.380 2.267 2.252 2.320 . 0 0 "[ . 1 . 2]" 1
2166 2 102 ASP HA 2 104 GLY H . . 4.450 4.168 3.425 4.456 0.006 16 0 "[ . 1 . 2]" 1
2167 2 102 ASP HA 2 108 PHE HA . . 4.030 2.753 2.481 3.106 . 0 0 "[ . 1 . 2]" 1
2168 2 102 ASP HA 2 108 PHE QD . . 4.040 2.482 2.080 2.867 . 0 0 "[ . 1 . 2]" 1
2169 2 102 ASP HA 2 108 PHE QE . . 4.710 4.056 3.607 4.489 . 0 0 "[ . 1 . 2]" 1
2170 2 102 ASP HA 2 109 GLU H . . 4.470 3.906 3.588 4.307 . 0 0 "[ . 1 . 2]" 1
2171 2 102 ASP HB2 2 108 PHE QE . . 4.340 3.420 2.641 3.916 . 0 0 "[ . 1 . 2]" 1
2172 2 103 THR H 2 103 THR MG . . 3.500 2.284 1.903 2.751 . 0 0 "[ . 1 . 2]" 1
2173 2 103 THR H 2 104 GLY H . . 3.590 2.875 2.198 3.562 . 0 0 "[ . 1 . 2]" 1
2174 2 103 THR H 2 108 PHE HA . . 4.430 3.368 2.811 3.862 . 0 0 "[ . 1 . 2]" 1
2175 2 103 THR H 2 108 PHE QD . . 4.590 4.094 3.021 4.611 0.021 20 0 "[ . 1 . 2]" 1
2176 2 103 THR HA 2 103 THR MG . . 3.060 2.659 2.303 3.228 0.168 12 0 "[ . 1 . 2]" 1
2177 2 103 THR MG 2 104 GLY H . . 4.450 4.004 3.497 4.383 . 0 0 "[ . 1 . 2]" 1
2178 2 103 THR MG 2 108 PHE HA . . 4.350 3.717 2.916 4.179 . 0 0 "[ . 1 . 2]" 1
2179 2 103 THR MG 2 109 GLU H . . 4.140 3.248 2.564 3.565 . 0 0 "[ . 1 . 2]" 1
2180 2 103 THR MG 2 109 GLU HB2 . . 3.970 2.474 1.997 4.048 0.078 16 0 "[ . 1 . 2]" 1
2181 2 103 THR MG 2 109 GLU HB3 . . 3.920 3.680 3.117 3.981 0.061 1 0 "[ . 1 . 2]" 1
2182 2 103 THR MG 2 109 GLU HG2 . . 4.230 3.728 2.167 4.241 0.011 13 0 "[ . 1 . 2]" 1
2183 2 103 THR MG 2 109 GLU HG3 . . 4.150 3.107 2.102 4.099 . 0 0 "[ . 1 . 2]" 1
2184 2 105 ASN H 2 107 ARG H . . 4.790 3.893 3.275 4.846 0.056 2 0 "[ . 1 . 2]" 1
2185 2 105 ASN HA 2 106 GLN HG3 . . 4.300 4.010 3.397 5.093 0.793 3 1 "[ + . 1 . 2]" 1
2186 2 105 ASN HA 2 107 ARG H . . 4.790 4.216 3.675 4.691 . 0 0 "[ . 1 . 2]" 1
2187 2 105 ASN HB2 2 105 ASN HD22 . . 3.910 3.769 3.448 4.151 0.241 5 0 "[ . 1 . 2]" 1
2188 2 105 ASN HB2 2 106 GLN H . . 4.920 3.414 1.889 4.714 . 0 0 "[ . 1 . 2]" 1
2189 2 105 ASN HB2 2 107 ARG H . . 4.930 3.853 2.996 4.673 . 0 0 "[ . 1 . 2]" 1
2190 2 105 ASN HB3 2 106 GLN H . . 4.470 2.778 1.936 4.159 . 0 0 "[ . 1 . 2]" 1
2191 2 105 ASN HB3 2 107 ARG H . . 5.010 3.546 1.959 4.585 . 0 0 "[ . 1 . 2]" 1
2192 2 106 GLN H 2 106 GLN HG3 . . 3.730 2.563 1.923 3.405 . 0 0 "[ . 1 . 2]" 1
2193 2 106 GLN H 2 107 ARG H . . 3.370 2.470 1.910 3.070 . 0 0 "[ . 1 . 2]" 1
2194 2 106 GLN H 2 108 PHE QE . . 5.500 5.234 4.210 5.526 0.026 20 0 "[ . 1 . 2]" 1
2195 2 106 GLN HA 2 106 GLN HG2 . . 3.500 2.849 2.348 3.744 0.244 15 0 "[ . 1 . 2]" 1
2196 2 106 GLN HA 2 107 ARG H . . 3.530 3.342 3.168 3.624 0.094 20 0 "[ . 1 . 2]" 1
2197 2 106 GLN HA 2 108 PHE HZ . . 3.970 3.300 2.600 3.988 0.018 4 0 "[ . 1 . 2]" 1
2198 2 106 GLN HB2 2 107 ARG H . . 4.240 3.567 2.562 3.924 . 0 0 "[ . 1 . 2]" 1
2199 2 106 GLN HB2 2 108 PHE QE . . 4.730 4.678 4.199 4.787 0.057 16 0 "[ . 1 . 2]" 1
2200 2 106 GLN HB2 2 108 PHE HZ . . 5.440 4.618 4.026 4.944 . 0 0 "[ . 1 . 2]" 1
2201 2 106 GLN HB3 2 108 PHE HZ . . 4.510 3.116 2.669 4.312 . 0 0 "[ . 1 . 2]" 1
2202 2 106 GLN HE22 2 106 GLN HG2 . . 3.930 3.678 3.483 4.030 0.100 3 0 "[ . 1 . 2]" 1
2203 2 107 ARG H 2 107 ARG HB2 . . 3.390 2.070 2.021 2.152 . 0 0 "[ . 1 . 2]" 1
2204 2 107 ARG H 2 107 ARG HB3 . . 3.850 3.323 3.023 3.430 . 0 0 "[ . 1 . 2]" 1
2205 2 107 ARG H 2 107 ARG QD . . 4.220 2.938 2.276 4.357 0.137 19 0 "[ . 1 . 2]" 1
2206 2 107 ARG H 2 107 ARG HG2 . . 4.330 4.089 3.387 4.508 0.178 16 0 "[ . 1 . 2]" 1
2207 2 107 ARG H 2 107 ARG HG3 . . 3.960 4.074 3.949 4.389 0.429 19 0 "[ . 1 . 2]" 1
2208 2 107 ARG H 2 108 PHE H . . 4.630 4.646 4.594 4.669 0.039 10 0 "[ . 1 . 2]" 1
2209 2 107 ARG H 2 108 PHE QE . . 4.940 4.924 4.550 5.021 0.081 20 0 "[ . 1 . 2]" 1
2210 2 107 ARG HA 2 107 ARG QD . . 3.760 2.404 1.911 3.275 . 0 0 "[ . 1 . 2]" 1
2211 2 107 ARG HA 2 107 ARG HG2 . . 3.770 3.324 2.322 3.572 . 0 0 "[ . 1 . 2]" 1
2212 2 107 ARG HA 2 107 ARG HG3 . . 3.460 2.536 2.204 3.569 0.109 4 0 "[ . 1 . 2]" 1
2213 2 107 ARG HA 2 108 PHE H . . 3.060 2.331 2.259 2.467 . 0 0 "[ . 1 . 2]" 1
2214 2 107 ARG HA 2 108 PHE HB2 . . 4.670 4.577 4.495 4.662 . 0 0 "[ . 1 . 2]" 1
2215 2 107 ARG HB2 2 108 PHE H . . 4.380 4.336 4.141 4.490 0.110 19 0 "[ . 1 . 2]" 1
2216 2 107 ARG HB3 2 107 ARG QD . . 3.900 3.156 2.418 3.509 . 0 0 "[ . 1 . 2]" 1
2217 2 107 ARG HB3 2 108 PHE H . . 4.000 3.248 2.980 3.756 . 0 0 "[ . 1 . 2]" 1
2218 2 107 ARG QD 2 108 PHE H . . 4.590 3.878 1.715 4.439 . 0 0 "[ . 1 . 2]" 1
2219 2 107 ARG HG2 2 108 PHE H . . 4.590 4.373 3.749 4.616 0.026 2 0 "[ . 1 . 2]" 1
2220 2 107 ARG HG3 2 108 PHE H . . 3.720 3.406 2.598 4.629 0.909 19 2 "[ . 1 - . +2]" 1
2221 2 108 PHE H 2 108 PHE HB2 . . 3.960 2.690 2.614 2.780 . 0 0 "[ . 1 . 2]" 1
2222 2 108 PHE H 2 108 PHE QD . . 3.980 3.512 2.724 3.656 . 0 0 "[ . 1 . 2]" 1
2223 2 108 PHE H 2 109 GLU H . . 5.050 4.324 4.119 4.501 . 0 0 "[ . 1 . 2]" 1
2224 2 108 PHE HA 2 108 PHE QD . . 3.890 2.279 2.159 2.936 . 0 0 "[ . 1 . 2]" 1
2225 2 108 PHE HA 2 108 PHE QE . . 4.790 4.571 4.495 4.840 0.050 20 0 "[ . 1 . 2]" 1
2226 2 108 PHE HA 2 109 GLU H . . 3.340 2.249 2.194 2.410 . 0 0 "[ . 1 . 2]" 1
2227 2 108 PHE HB2 2 109 GLU H . . 4.590 4.075 3.643 4.361 . 0 0 "[ . 1 . 2]" 1
2228 2 108 PHE HB3 2 109 GLU H . . 4.680 3.262 2.732 3.703 . 0 0 "[ . 1 . 2]" 1
2229 2 108 PHE QD 2 109 GLU H . . 4.600 4.142 4.029 4.264 . 0 0 "[ . 1 . 2]" 1
2230 2 109 GLU H 2 109 GLU HG3 . . 4.310 3.547 2.941 4.393 0.083 7 0 "[ . 1 . 2]" 1
2231 2 109 GLU H 2 110 CYS H . . 5.140 4.424 4.260 4.531 . 0 0 "[ . 1 . 2]" 1
2232 2 109 GLU HA 2 109 GLU HG2 . . 4.200 2.715 2.247 3.641 . 0 0 "[ . 1 . 2]" 1
2233 2 109 GLU HA 2 110 CYS H . . 3.490 2.281 2.213 2.420 . 0 0 "[ . 1 . 2]" 1
2234 2 109 GLU HB2 2 110 CYS H . . 4.410 4.223 3.255 4.421 0.011 10 0 "[ . 1 . 2]" 1
2235 2 109 GLU HB2 2 111 HIS HD2 . . 4.420 4.092 3.584 4.890 0.470 15 0 "[ . 1 . 2]" 1
2236 2 109 GLU HB3 2 110 CYS H . . 4.170 3.197 2.739 4.114 . 0 0 "[ . 1 . 2]" 1
2237 2 109 GLU HG2 2 110 CYS H . . 4.610 4.107 3.575 5.263 0.653 7 1 "[ . + 1 . 2]" 1
2238 2 110 CYS H 2 110 CYS HB2 . . 4.090 2.951 2.753 3.228 . 0 0 "[ . 1 . 2]" 1
2239 2 110 CYS H 2 110 CYS HB3 . . 3.910 2.557 2.481 2.724 . 0 0 "[ . 1 . 2]" 1
2240 2 110 CYS H 2 110 CYS HG . . 5.500 4.778 4.553 5.058 . 0 0 "[ . 1 . 2]" 1
2241 2 110 CYS H 2 111 HIS H . . 5.050 4.378 4.210 4.502 . 0 0 "[ . 1 . 2]" 1
2242 2 110 CYS HA 2 110 CYS HG . . 3.810 2.597 2.215 3.363 . 0 0 "[ . 1 . 2]" 1
2243 2 110 CYS HA 2 111 HIS H . . 3.370 2.249 2.220 2.394 . 0 0 "[ . 1 . 2]" 1
2244 2 110 CYS HA 2 111 HIS HD2 . . 4.620 4.207 3.798 4.522 . 0 0 "[ . 1 . 2]" 1
2245 2 110 CYS HB2 2 111 HIS H . . 4.680 4.330 4.073 4.536 . 0 0 "[ . 1 . 2]" 1
2246 2 110 CYS HG 2 111 HIS H . . 3.980 3.232 2.581 3.847 . 0 0 "[ . 1 . 2]" 1
2247 2 111 HIS H 2 111 HIS HB2 . . 3.880 2.549 2.425 2.763 . 0 0 "[ . 1 . 2]" 1
2248 2 111 HIS H 2 111 HIS HB3 . . 4.040 3.699 3.626 3.824 . 0 0 "[ . 1 . 2]" 1
2249 2 111 HIS H 2 111 HIS HD2 . . 4.180 3.413 3.074 3.979 . 0 0 "[ . 1 . 2]" 1
2250 2 111 HIS H 2 112 VAL H . . 4.940 4.292 4.000 4.559 . 0 0 "[ . 1 . 2]" 1
2251 2 111 HIS H 2 112 VAL MG2 . . 4.410 4.126 3.685 4.319 . 0 0 "[ . 1 . 2]" 1
2252 2 111 HIS HA 2 112 VAL H . . 3.440 2.263 2.186 2.488 . 0 0 "[ . 1 . 2]" 1
2253 2 111 HIS HA 2 112 VAL HB . . 4.610 4.648 4.613 4.679 0.069 5 0 "[ . 1 . 2]" 1
2254 2 111 HIS HA 2 112 VAL MG2 . . 4.060 3.402 2.946 3.706 . 0 0 "[ . 1 . 2]" 1
2255 2 111 HIS HB2 2 111 HIS HD2 . . 3.970 2.773 2.728 2.838 . 0 0 "[ . 1 . 2]" 1
2256 2 111 HIS HB2 2 112 VAL H . . 4.690 4.276 3.710 4.503 . 0 0 "[ . 1 . 2]" 1
2257 2 111 HIS HB2 2 113 PHE QE . . 4.290 2.285 2.122 2.475 . 0 0 "[ . 1 . 2]" 1
2258 2 111 HIS HB3 2 112 VAL H . . 4.440 3.397 2.452 3.794 . 0 0 "[ . 1 . 2]" 1
2259 2 111 HIS HB3 2 113 PHE QE . . 4.380 2.146 1.996 2.309 . 0 0 "[ . 1 . 2]" 1
2260 2 111 HIS HB3 2 113 PHE HZ . . 4.190 2.920 2.599 3.398 . 0 0 "[ . 1 . 2]" 1
2261 2 112 VAL H 2 112 VAL HB . . 3.710 2.585 2.451 2.971 . 0 0 "[ . 1 . 2]" 1
2262 2 112 VAL H 2 112 VAL MG1 . . 4.250 3.809 3.750 3.984 . 0 0 "[ . 1 . 2]" 1
2263 2 112 VAL H 2 112 VAL MG2 . . 3.370 2.367 2.132 2.833 . 0 0 "[ . 1 . 2]" 1
2264 2 112 VAL H 2 113 PHE H . . 5.080 4.533 4.358 4.603 . 0 0 "[ . 1 . 2]" 1
2265 2 112 VAL HA 2 112 VAL MG1 . . 3.640 2.308 2.230 2.381 . 0 0 "[ . 1 . 2]" 1
2266 2 112 VAL HA 2 112 VAL MG2 . . 3.500 2.472 2.355 2.536 . 0 0 "[ . 1 . 2]" 1
2267 2 112 VAL HA 2 113 PHE H . . 3.550 2.431 2.342 2.492 . 0 0 "[ . 1 . 2]" 1
2268 2 112 VAL HA 2 113 PHE QD . . 4.540 2.615 2.509 2.714 . 0 0 "[ . 1 . 2]" 1
2269 2 112 VAL MG1 2 113 PHE H . . 3.600 1.972 1.856 2.217 . 0 0 "[ . 1 . 2]" 1
2270 2 112 VAL MG1 2 113 PHE HA . . 4.360 3.552 3.432 3.747 . 0 0 "[ . 1 . 2]" 1
2271 2 112 VAL MG1 2 113 PHE QD . . 4.590 3.950 3.831 4.031 . 0 0 "[ . 1 . 2]" 1
2272 2 112 VAL MG2 2 113 PHE H . . 4.210 3.967 3.884 4.105 . 0 0 "[ . 1 . 2]" 1
2273 2 112 VAL MG2 2 113 PHE QD . . 4.630 4.561 4.481 4.631 0.001 8 0 "[ . 1 . 2]" 1
2274 2 113 PHE H 2 113 PHE QD . . 3.960 2.865 2.597 3.005 . 0 0 "[ . 1 . 2]" 1
2275 2 113 PHE H 2 113 PHE QE . . 5.160 5.079 4.874 5.197 0.037 13 0 "[ . 1 . 2]" 1
2276 2 113 PHE HA 2 113 PHE QD . . 4.100 3.184 3.155 3.233 . 0 0 "[ . 1 . 2]" 1
2277 2 113 PHE HA 2 113 PHE QE . . 4.810 4.785 4.752 4.840 0.030 15 0 "[ . 1 . 2]" 1
2278 2 113 PHE HA 2 114 TRP H . . 3.460 2.440 2.320 2.583 . 0 0 "[ . 1 . 2]" 1
2279 2 113 PHE HA 2 114 TRP HB2 . . 4.530 4.316 4.236 4.369 . 0 0 "[ . 1 . 2]" 1
2280 2 113 PHE HB2 2 114 TRP H . . 4.450 3.782 3.494 4.029 . 0 0 "[ . 1 . 2]" 1
2281 2 113 PHE HB3 2 114 TRP H . . 3.700 2.617 2.296 2.932 . 0 0 "[ . 1 . 2]" 1
2282 2 113 PHE QD 2 114 TRP H . . 4.490 3.933 3.778 4.110 . 0 0 "[ . 1 . 2]" 1
2283 2 114 TRP H 2 114 TRP HB2 . . 4.150 2.990 2.800 3.150 . 0 0 "[ . 1 . 2]" 1
2284 2 114 TRP HA 2 115 CYS H . . 3.550 2.223 2.205 2.287 . 0 0 "[ . 1 . 2]" 1
2285 2 114 TRP HA 2 115 CYS HG . . 4.690 3.631 3.288 3.980 . 0 0 "[ . 1 . 2]" 1
2286 2 114 TRP HB2 2 114 TRP HE3 . . 4.160 2.482 2.367 2.585 . 0 0 "[ . 1 . 2]" 1
2287 2 114 TRP HB2 2 115 CYS H . . 4.830 4.498 4.413 4.611 . 0 0 "[ . 1 . 2]" 1
2288 2 114 TRP HB3 2 115 CYS H . . 4.700 4.454 4.359 4.563 . 0 0 "[ . 1 . 2]" 1
2289 2 114 TRP HD1 2 115 CYS H . . 4.560 4.469 4.125 4.597 0.037 20 0 "[ . 1 . 2]" 1
2290 2 114 TRP HD1 2 116 GLU HG2 . . 3.620 3.626 3.077 4.199 0.579 11 2 "[ . -1+ . 2]" 1
2291 2 114 TRP HD1 2 116 GLU HG3 . . 4.160 2.626 2.297 2.867 . 0 0 "[ . 1 . 2]" 1
2292 2 114 TRP HE1 2 116 GLU HG2 . . 3.880 2.703 2.413 3.316 . 0 0 "[ . 1 . 2]" 1
2293 2 114 TRP HE1 2 116 GLU HG3 . . 4.300 2.870 2.432 3.400 . 0 0 "[ . 1 . 2]" 1
2294 2 115 CYS H 2 115 CYS HB2 . . 4.190 2.715 2.588 2.800 . 0 0 "[ . 1 . 2]" 1
2295 2 115 CYS H 2 115 CYS HG . . 3.920 2.260 1.977 2.591 . 0 0 "[ . 1 . 2]" 1
2296 2 115 CYS H 2 116 GLU H . . 5.370 4.547 4.512 4.607 . 0 0 "[ . 1 . 2]" 1
2297 2 115 CYS H 2 119 ALA HA . . 5.130 4.977 4.564 5.161 0.031 15 0 "[ . 1 . 2]" 1
2298 2 115 CYS H 2 119 ALA MB . . 4.610 3.609 3.152 3.837 . 0 0 "[ . 1 . 2]" 1
2299 2 115 CYS HA 2 116 GLU H . . 3.370 2.434 2.352 2.499 . 0 0 "[ . 1 . 2]" 1
2300 2 115 CYS HB2 2 116 GLU H . . 4.590 3.561 3.397 3.814 . 0 0 "[ . 1 . 2]" 1
2301 2 115 CYS HB2 2 119 ALA HA . . 3.600 2.491 2.174 2.628 . 0 0 "[ . 1 . 2]" 1
2302 2 115 CYS HB2 2 119 ALA MB . . 3.440 2.553 2.292 2.819 . 0 0 "[ . 1 . 2]" 1
2303 2 115 CYS HB2 2 122 VAL QG . . 4.320 3.358 2.814 3.664 . 0 0 "[ . 1 . 2]" 1
2304 2 115 CYS HB3 2 116 GLU H . . 4.230 2.733 2.572 2.959 . 0 0 "[ . 1 . 2]" 1
2305 2 115 CYS HB3 2 119 ALA HA . . 3.690 3.115 2.603 3.398 . 0 0 "[ . 1 . 2]" 1
2306 2 115 CYS HB3 2 119 ALA MB . . 3.890 3.716 3.455 3.931 0.041 16 0 "[ . 1 . 2]" 1
2307 2 115 CYS HB3 2 122 VAL H . . 5.070 4.506 4.130 5.106 0.036 17 0 "[ . 1 . 2]" 1
2308 2 115 CYS HB3 2 122 VAL QG . . 3.770 2.420 2.123 2.654 . 0 0 "[ . 1 . 2]" 1
2309 2 115 CYS HG 2 119 ALA HA . . 4.300 4.039 3.600 4.339 0.039 6 0 "[ . 1 . 2]" 1
2310 2 115 CYS HG 2 119 ALA MB . . 3.650 2.675 2.176 3.352 . 0 0 "[ . 1 . 2]" 1
2311 2 115 CYS HG 2 122 VAL QG . . 4.360 3.177 2.963 3.574 . 0 0 "[ . 1 . 2]" 1
2312 2 116 GLU H 2 116 GLU HB2 . . 3.860 2.680 2.594 2.796 . 0 0 "[ . 1 . 2]" 1
2313 2 116 GLU H 2 116 GLU HB3 . . 4.120 3.740 3.638 3.848 . 0 0 "[ . 1 . 2]" 1
2314 2 116 GLU H 2 116 GLU HG2 . . 4.210 4.031 3.787 4.300 0.090 9 0 "[ . 1 . 2]" 1
2315 2 116 GLU H 2 116 GLU HG3 . . 4.360 3.617 3.123 4.095 . 0 0 "[ . 1 . 2]" 1
2316 2 116 GLU H 2 118 ASN H . . 5.360 5.346 5.266 5.400 0.040 19 0 "[ . 1 . 2]" 1
2317 2 116 GLU HA 2 117 PRO HA . . 3.550 1.860 1.782 1.921 . 0 0 "[ . 1 . 2]" 1
2318 2 116 GLU HA 2 118 ASN H . . 4.080 3.931 3.840 4.079 . 0 0 "[ . 1 . 2]" 1
2319 2 116 GLU HB2 2 117 PRO HA . . 4.400 3.994 3.881 4.110 . 0 0 "[ . 1 . 2]" 1
2320 2 116 GLU HB3 2 117 PRO HA . . 4.210 2.735 2.540 2.974 . 0 0 "[ . 1 . 2]" 1
2321 2 116 GLU HG3 2 117 PRO HA . . 4.590 4.404 4.107 4.556 . 0 0 "[ . 1 . 2]" 1
2322 2 117 PRO HB2 2 118 ASN H . . 3.950 2.750 2.545 2.859 . 0 0 "[ . 1 . 2]" 1
2323 2 117 PRO HB3 2 118 ASN H . . 4.580 3.907 3.790 3.970 . 0 0 "[ . 1 . 2]" 1
2324 2 117 PRO HD2 2 118 ASN H . . 3.480 2.485 2.412 2.640 . 0 0 "[ . 1 . 2]" 1
2325 2 117 PRO HD3 2 118 ASN H . . 4.010 3.834 3.787 3.932 . 0 0 "[ . 1 . 2]" 1
2326 2 117 PRO HG2 2 118 ASN H . . 3.930 2.361 2.253 2.431 . 0 0 "[ . 1 . 2]" 1
2327 2 117 PRO HG3 2 118 ASN H . . 4.390 3.783 3.712 3.827 . 0 0 "[ . 1 . 2]" 1
2328 2 118 ASN H 2 118 ASN HD21 . . 5.290 4.285 4.145 4.400 . 0 0 "[ . 1 . 2]" 1
2329 2 118 ASN H 2 119 ALA H . . 5.010 4.500 4.444 4.549 . 0 0 "[ . 1 . 2]" 1
2330 2 118 ASN HA 2 119 ALA MB . . 4.420 4.018 3.956 4.075 . 0 0 "[ . 1 . 2]" 1
2331 2 118 ASN HB2 2 119 ALA H . . 4.060 2.208 1.981 2.410 . 0 0 "[ . 1 . 2]" 1
2332 2 118 ASN HB3 2 119 ALA H . . 3.810 3.595 3.420 3.791 . 0 0 "[ . 1 . 2]" 1
2333 2 119 ALA H 2 119 ALA MB . . 3.290 2.263 2.060 2.368 . 0 0 "[ . 1 . 2]" 1
2334 2 119 ALA HA 2 122 VAL HB . . 4.400 2.602 2.283 4.605 0.205 11 0 "[ . 1 . 2]" 1
2335 2 119 ALA HA 2 122 VAL QG . . 4.300 3.114 1.870 3.359 . 0 0 "[ . 1 . 2]" 1
2336 2 119 ALA MB 2 120 ALA H . . 4.430 3.748 3.676 3.792 . 0 0 "[ . 1 . 2]" 1
2337 2 119 ALA MB 2 122 VAL QG . . 4.180 2.469 1.802 2.677 . 0 0 "[ . 1 . 2]" 1
2338 2 119 ALA MB 2 123 SER H . . 4.400 2.804 2.569 3.145 . 0 0 "[ . 1 . 2]" 1
2339 2 119 ALA MB 2 123 SER HB3 . . 3.890 3.398 2.556 4.877 0.987 8 5 "[* . *+ 1 -*. 2]" 1
2340 2 120 ALA H 2 120 ALA MB . . 3.150 2.043 1.942 2.174 . 0 0 "[ . 1 . 2]" 1
2341 2 120 ALA H 2 121 ASN H . . 4.330 2.491 2.261 2.780 . 0 0 "[ . 1 . 2]" 1
2342 2 120 ALA HA 2 123 SER H . . 4.450 4.050 3.569 4.336 . 0 0 "[ . 1 . 2]" 1
2343 2 120 ALA HA 2 124 GLU H . . 4.970 3.870 3.497 4.281 . 0 0 "[ . 1 . 2]" 1
2344 2 120 ALA MB 2 121 ASN H . . 3.420 2.625 2.211 3.005 . 0 0 "[ . 1 . 2]" 1
2345 2 121 ASN H 2 121 ASN HB2 . . 3.780 2.295 2.062 2.569 . 0 0 "[ . 1 . 2]" 1
2346 2 121 ASN H 2 121 ASN HB3 . . 3.960 3.466 3.038 3.586 . 0 0 "[ . 1 . 2]" 1
2347 2 121 ASN H 2 122 VAL H . . 4.130 2.516 2.227 2.685 . 0 0 "[ . 1 . 2]" 1
2348 2 121 ASN HA 2 121 ASN HD21 . . 4.440 3.649 2.410 4.409 . 0 0 "[ . 1 . 2]" 1
2349 2 121 ASN HA 2 121 ASN HD22 . . 4.930 4.173 3.579 4.587 . 0 0 "[ . 1 . 2]" 1
2350 2 121 ASN HA 2 124 GLU H . . 4.180 3.622 3.207 3.905 . 0 0 "[ . 1 . 2]" 1
2351 2 121 ASN HA 2 124 GLU HB2 . . 4.160 3.716 3.383 4.099 . 0 0 "[ . 1 . 2]" 1
2352 2 121 ASN HA 2 124 GLU HB3 . . 3.810 2.380 2.087 2.714 . 0 0 "[ . 1 . 2]" 1
2353 2 121 ASN HA 2 124 GLU HG2 . . 4.700 3.985 3.571 4.362 . 0 0 "[ . 1 . 2]" 1
2354 2 121 ASN HB2 2 122 VAL H . . 4.290 2.736 2.354 3.235 . 0 0 "[ . 1 . 2]" 1
2355 2 121 ASN HB3 2 122 VAL H . . 4.330 3.443 2.535 3.913 . 0 0 "[ . 1 . 2]" 1
2356 2 122 VAL H 2 122 VAL HB . . 3.560 2.182 2.056 3.505 . 0 0 "[ . 1 . 2]" 1
2357 2 122 VAL H 2 122 VAL QG . . 3.400 2.616 1.869 2.855 . 0 0 "[ . 1 . 2]" 1
2358 2 122 VAL H 2 123 SER H . . 4.550 2.884 2.552 3.102 . 0 0 "[ . 1 . 2]" 1
2359 2 122 VAL HA 2 122 VAL QG . . 3.140 2.034 1.955 2.466 . 0 0 "[ . 1 . 2]" 1
2360 2 122 VAL HA 2 125 ALA H . . 4.310 3.492 3.189 3.735 . 0 0 "[ . 1 . 2]" 1
2361 2 122 VAL HA 2 125 ALA MB . . 3.400 2.725 2.294 2.957 . 0 0 "[ . 1 . 2]" 1
2362 2 122 VAL HA 2 126 VAL MG2 . . 4.480 3.478 3.369 3.641 . 0 0 "[ . 1 . 2]" 1
2363 2 122 VAL HB 2 123 SER H . . 3.790 2.553 2.349 3.909 0.119 11 0 "[ . 1 . 2]" 1
2364 2 122 VAL QG 2 123 SER H . . 3.900 2.294 1.836 2.530 . 0 0 "[ . 1 . 2]" 1
2365 2 122 VAL QG 2 123 SER HA . . 3.790 2.870 2.720 2.952 . 0 0 "[ . 1 . 2]" 1
2366 2 122 VAL QG 2 124 GLU H . . 4.760 4.183 3.912 4.447 . 0 0 "[ . 1 . 2]" 1
2367 2 122 VAL QG 2 125 ALA MB . . 4.200 3.585 3.343 3.808 . 0 0 "[ . 1 . 2]" 1
2368 2 122 VAL QG 2 126 VAL HB . . 4.280 4.205 4.082 4.272 . 0 0 "[ . 1 . 2]" 1
2369 2 122 VAL QG 2 126 VAL MG2 . . 3.380 2.412 2.239 2.773 . 0 0 "[ . 1 . 2]" 1
2370 2 123 SER H 2 123 SER HB3 . . 4.080 2.671 2.139 3.559 . 0 0 "[ . 1 . 2]" 1
2371 2 123 SER H 2 124 GLU H . . 4.120 2.812 2.676 3.062 . 0 0 "[ . 1 . 2]" 1
2372 2 123 SER HA 2 126 VAL H . . 4.190 3.577 3.347 3.743 . 0 0 "[ . 1 . 2]" 1
2373 2 123 SER HA 2 126 VAL HB . . 3.920 2.823 2.611 3.118 . 0 0 "[ . 1 . 2]" 1
2374 2 123 SER HA 2 126 VAL MG2 . . 3.960 2.699 2.337 3.131 . 0 0 "[ . 1 . 2]" 1
2375 2 123 SER HB3 2 124 GLU H . . 3.960 3.788 3.143 3.969 0.009 11 0 "[ . 1 . 2]" 1
2376 2 124 GLU H 2 124 GLU HB2 . . 3.660 2.762 2.720 2.812 . 0 0 "[ . 1 . 2]" 1
2377 2 124 GLU H 2 124 GLU HB3 . . 3.690 2.247 2.224 2.286 . 0 0 "[ . 1 . 2]" 1
2378 2 124 GLU H 2 124 GLU HG2 . . 4.210 4.390 4.179 4.595 0.385 9 0 "[ . 1 . 2]" 1
2379 2 124 GLU H 2 125 ALA H . . 3.740 2.716 2.532 2.856 . 0 0 "[ . 1 . 2]" 1
2380 2 124 GLU HA 2 124 GLU HG2 . . 3.550 3.652 3.352 3.903 0.353 12 0 "[ . 1 . 2]" 1
2381 2 124 GLU HA 2 124 GLU HG3 . . 3.890 3.020 2.628 3.486 . 0 0 "[ . 1 . 2]" 1
2382 2 124 GLU HA 2 127 GLN H . . 4.290 2.933 2.753 3.278 . 0 0 "[ . 1 . 2]" 1
2383 2 124 GLU HA 2 127 GLN HB3 . . 3.810 2.449 2.008 2.993 . 0 0 "[ . 1 . 2]" 1
2384 2 124 GLU HA 2 128 ALA H . . 4.270 3.676 3.341 4.075 . 0 0 "[ . 1 . 2]" 1
2385 2 124 GLU HB2 2 125 ALA H . . 4.140 3.923 3.836 4.163 0.023 11 0 "[ . 1 . 2]" 1
2386 2 124 GLU HB3 2 125 ALA H . . 3.870 2.519 2.403 2.907 . 0 0 "[ . 1 . 2]" 1
2387 2 124 GLU HG2 2 125 ALA H . . 4.300 3.607 2.729 4.365 0.065 9 0 "[ . 1 . 2]" 1
2388 2 124 GLU HG3 2 125 ALA H . . 4.550 3.570 2.844 4.344 . 0 0 "[ . 1 . 2]" 1
2389 2 125 ALA H 2 125 ALA MB . . 3.000 2.101 1.934 2.172 . 0 0 "[ . 1 . 2]" 1
2390 2 125 ALA H 2 126 VAL H . . 3.650 2.738 2.470 2.867 . 0 0 "[ . 1 . 2]" 1
2391 2 125 ALA H 2 126 VAL MG2 . . 4.310 3.864 3.651 4.069 . 0 0 "[ . 1 . 2]" 1
2392 2 125 ALA HA 2 126 VAL MG2 . . 4.380 4.462 4.433 4.487 0.107 7 0 "[ . 1 . 2]" 1
2393 2 125 ALA HA 2 128 ALA H . . 4.540 3.783 3.581 3.890 . 0 0 "[ . 1 . 2]" 1
2394 2 125 ALA HA 2 128 ALA MB . . 3.140 2.983 2.803 3.152 0.012 17 0 "[ . 1 . 2]" 1
2395 2 125 ALA MB 2 126 VAL H . . 3.350 2.976 2.852 3.120 . 0 0 "[ . 1 . 2]" 1
2396 2 125 ALA MB 2 126 VAL MG2 . . 3.620 2.712 2.586 2.915 . 0 0 "[ . 1 . 2]" 1
2397 2 126 VAL H 2 126 VAL HB . . 3.700 2.543 2.505 2.595 . 0 0 "[ . 1 . 2]" 1
2398 2 126 VAL H 2 126 VAL MG2 . . 3.140 2.252 2.180 2.281 . 0 0 "[ . 1 . 2]" 1
2399 2 126 VAL H 2 127 GLN H . . 3.720 2.234 2.139 2.478 . 0 0 "[ . 1 . 2]" 1
2400 2 126 VAL HA 2 126 VAL MG2 . . 2.760 2.502 2.491 2.515 . 0 0 "[ . 1 . 2]" 1
2401 2 126 VAL HA 2 129 ALA H . . 4.030 3.088 2.893 3.295 . 0 0 "[ . 1 . 2]" 1
2402 2 126 VAL HA 2 129 ALA MB . . 3.380 2.166 1.953 2.463 . 0 0 "[ . 1 . 2]" 1
2403 2 126 VAL MG1 2 127 GLN H . . 4.010 3.771 3.489 4.018 0.008 20 0 "[ . 1 . 2]" 1
2404 2 126 VAL MG1 2 130 CYS H . . 4.310 3.928 3.601 4.325 0.015 12 0 "[ . 1 . 2]" 1
2405 2 126 VAL MG2 2 127 GLN H . . 4.120 3.710 3.562 3.802 . 0 0 "[ . 1 . 2]" 1
2406 2 127 GLN H 2 127 GLN HB2 . . 3.820 2.293 2.099 2.478 . 0 0 "[ . 1 . 2]" 1
2407 2 127 GLN H 2 127 GLN HB3 . . 3.780 2.694 2.488 2.944 . 0 0 "[ . 1 . 2]" 1
2408 2 127 GLN H 2 127 GLN HG2 . . 4.730 4.398 4.329 4.525 . 0 0 "[ . 1 . 2]" 1
2409 2 127 GLN H 2 127 GLN HG3 . . 4.980 4.274 3.988 4.500 . 0 0 "[ . 1 . 2]" 1
2410 2 127 GLN H 2 128 ALA H . . 3.960 2.675 2.455 2.859 . 0 0 "[ . 1 . 2]" 1
2411 2 127 GLN H 2 128 ALA MB . . 4.740 4.268 4.034 4.416 . 0 0 "[ . 1 . 2]" 1
2412 2 127 GLN HA 2 127 GLN HG2 . . 3.840 2.643 2.328 3.515 . 0 0 "[ . 1 . 2]" 1
2413 2 127 GLN HA 2 127 GLN HG3 . . 3.780 2.706 2.306 2.988 . 0 0 "[ . 1 . 2]" 1
2414 2 127 GLN HA 2 130 CYS H . . 4.340 3.614 3.300 4.024 . 0 0 "[ . 1 . 2]" 1
2415 2 127 GLN HB2 2 128 ALA H . . 4.190 3.862 3.547 4.115 . 0 0 "[ . 1 . 2]" 1
2416 2 127 GLN HB3 2 128 ALA H . . 3.920 2.853 2.538 3.129 . 0 0 "[ . 1 . 2]" 1
2417 2 127 GLN HG2 2 128 ALA H . . 4.630 4.386 3.936 4.640 0.010 9 0 "[ . 1 . 2]" 1
2418 2 128 ALA H 2 128 ALA MB . . 2.890 2.083 2.016 2.180 . 0 0 "[ . 1 . 2]" 1
2419 2 128 ALA H 2 129 ALA H . . 3.690 2.372 2.230 2.546 . 0 0 "[ . 1 . 2]" 1
2420 2 128 ALA H 2 130 CYS H . . 5.170 4.233 3.893 4.547 . 0 0 "[ . 1 . 2]" 1
2421 2 128 ALA MB 2 129 ALA H . . 3.250 2.932 2.675 3.130 . 0 0 "[ . 1 . 2]" 1
2422 2 129 ALA H 2 129 ALA MB . . 2.940 2.122 1.947 2.183 . 0 0 "[ . 1 . 2]" 1
2423 2 129 ALA H 2 130 CYS HG . . 4.820 4.585 4.197 4.835 0.015 12 0 "[ . 1 . 2]" 1
2424 2 129 ALA MB 2 130 CYS H . . 3.810 2.504 2.217 2.914 . 0 0 "[ . 1 . 2]" 1
2425 2 129 ALA MB 2 130 CYS HA . . 4.540 3.789 3.711 3.950 . 0 0 "[ . 1 . 2]" 1
2426 2 129 ALA MB 2 130 CYS HG . . 4.150 3.440 3.070 4.021 . 0 0 "[ . 1 . 2]" 1
2427 2 129 ALA MB 2 131 SER H . . 4.600 4.518 4.184 4.663 0.063 4 0 "[ . 1 . 2]" 1
2428 2 130 CYS H 2 130 CYS HB2 . . 4.000 2.326 2.224 2.514 . 0 0 "[ . 1 . 2]" 1
2429 2 130 CYS H 2 130 CYS HB3 . . 3.730 3.534 3.495 3.579 . 0 0 "[ . 1 . 2]" 1
2430 2 130 CYS H 2 130 CYS HG . . 3.640 2.468 2.038 3.090 . 0 0 "[ . 1 . 2]" 1
2431 2 130 CYS H 2 131 SER H . . 3.540 2.779 2.404 3.032 . 0 0 "[ . 1 . 2]" 1
2432 2 130 CYS H 2 132 GLY H . . 5.020 4.835 4.234 5.127 0.107 4 0 "[ . 1 . 2]" 1
2433 2 130 CYS HA 2 130 CYS HG . . 4.150 3.059 2.124 3.482 . 0 0 "[ . 1 . 2]" 1
2434 2 130 CYS HB2 2 131 SER H . . 4.360 2.718 2.337 3.619 . 0 0 "[ . 1 . 2]" 1
2435 2 130 CYS HB3 2 131 SER H . . 4.180 3.457 3.114 4.243 0.063 12 0 "[ . 1 . 2]" 1
2436 2 131 SER H 2 131 SER HB2 . . 3.200 3.027 2.045 4.032 0.832 4 1 "[ +. 1 . 2]" 1
2437 2 131 SER H 2 132 GLY H . . 3.740 2.704 1.986 3.435 . 0 0 "[ . 1 . 2]" 1
2438 2 131 SER HB3 2 132 GLY H . . 3.990 2.830 1.950 4.701 0.711 4 1 "[ +. 1 . 2]" 1
2439 2 132 GLY H 2 133 PRO HD3 . . 4.270 4.315 4.300 4.359 0.089 12 0 "[ . 1 . 2]" 1
2440 2 132 GLY HA2 2 133 PRO HD3 . . 2.940 2.190 2.050 2.969 0.029 4 0 "[ . 1 . 2]" 1
2441 2 132 GLY HA3 2 133 PRO HD3 . . 2.920 2.907 2.120 3.075 0.155 12 0 "[ . 1 . 2]" 1
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