NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
568030 |
2mc8   |
19431 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2mc8
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 1984
_Distance_constraint_stats_list.Viol_count 5029
_Distance_constraint_stats_list.Viol_total 14024.094
_Distance_constraint_stats_list.Viol_max 1.587
_Distance_constraint_stats_list.Viol_rms 0.0687
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0177
_Distance_constraint_stats_list.Viol_average_violations_only 0.1394
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 2 GLU 4.970 0.490 12 0 "[ . 1 . 2]"
1 3 ILE 19.724 1.223 17 11 "[ * ** * ***-+ **]"
1 4 LEU 51.657 1.587 20 17 "[*** *****-* *** ***+]"
1 5 LYS 15.115 0.445 1 0 "[ . 1 . 2]"
1 6 GLU 8.820 0.350 19 0 "[ . 1 . 2]"
1 7 LEU 12.305 0.318 20 0 "[ . 1 . 2]"
1 8 PRO 7.681 0.347 17 0 "[ . 1 . 2]"
1 9 GLU 8.490 0.408 5 0 "[ . 1 . 2]"
1 10 GLY 5.519 0.408 5 0 "[ . 1 . 2]"
1 11 PHE 6.475 0.319 13 0 "[ . 1 . 2]"
1 12 ASP 8.000 0.340 4 0 "[ . 1 . 2]"
1 13 LYS 17.708 0.364 6 0 "[ . 1 . 2]"
1 14 GLU 5.860 0.340 4 0 "[ . 1 . 2]"
1 15 THR 2.671 0.254 18 0 "[ . 1 . 2]"
1 16 VAL 4.333 0.191 7 0 "[ . 1 . 2]"
1 17 ARG 8.348 0.845 19 1 "[ . 1 . +2]"
1 18 LYS 7.123 0.536 9 1 "[ . +1 . 2]"
1 19 GLN 9.257 0.332 1 0 "[ . 1 . 2]"
1 20 ALA 8.723 0.453 9 0 "[ . 1 . 2]"
1 21 MET 13.093 0.640 20 1 "[ . 1 . +]"
1 22 GLU 2.617 0.360 3 0 "[ . 1 . 2]"
1 23 ASP 3.555 0.318 8 0 "[ . 1 . 2]"
1 24 ILE 1.638 0.169 9 0 "[ . 1 . 2]"
1 25 GLU 11.957 0.705 6 2 "[- .+ 1 . 2]"
1 26 ILE 9.833 0.705 6 2 "[- .+ 1 . 2]"
1 27 ALA 2.857 0.228 16 0 "[ . 1 . 2]"
1 28 GLN 3.096 0.281 9 0 "[ . 1 . 2]"
1 29 SER 0.043 0.043 9 0 "[ . 1 . 2]"
1 30 LYS 7.720 0.401 19 0 "[ . 1 . 2]"
1 31 ASP 3.814 0.285 18 0 "[ . 1 . 2]"
1 32 TYR 11.588 0.290 15 0 "[ . 1 . 2]"
1 33 GLU 3.279 0.398 3 0 "[ . 1 . 2]"
1 34 SER 2.792 0.398 3 0 "[ . 1 . 2]"
1 35 TRP 2.913 0.344 19 0 "[ . 1 . 2]"
1 36 LYS 6.962 0.380 18 0 "[ . 1 . 2]"
1 37 SER 1.155 0.242 13 0 "[ . 1 . 2]"
1 38 ARG 3.576 0.419 15 0 "[ . 1 . 2]"
1 39 PHE 11.903 0.422 16 0 "[ . 1 . 2]"
1 40 THR 13.075 0.344 11 0 "[ . 1 . 2]"
1 41 LYS 16.600 0.466 2 0 "[ . 1 . 2]"
1 42 ASP 8.782 0.466 2 0 "[ . 1 . 2]"
1 43 LEU 9.270 0.322 6 0 "[ . 1 . 2]"
1 44 GLN 18.555 0.453 20 0 "[ . 1 . 2]"
1 45 SER 5.543 0.387 18 0 "[ . 1 . 2]"
1 46 SER 2.626 0.440 3 0 "[ . 1 . 2]"
1 47 LEU 4.894 0.809 19 1 "[ . 1 . +2]"
1 48 THR 3.689 0.233 3 0 "[ . 1 . 2]"
1 49 GLU 8.089 0.350 18 0 "[ . 1 . 2]"
1 50 GLU 11.754 0.413 1 0 "[ . 1 . 2]"
1 51 SER 2.942 0.161 9 0 "[ . 1 . 2]"
1 52 TYR 3.212 0.350 18 0 "[ . 1 . 2]"
1 53 ASP 4.609 0.252 12 0 "[ . 1 . 2]"
1 54 SER 1.445 0.207 3 0 "[ . 1 . 2]"
1 55 TYR 4.163 0.274 4 0 "[ . 1 . 2]"
1 56 LEU 8.816 0.681 10 1 "[ . + . 2]"
1 57 LYS 14.042 0.375 14 0 "[ . 1 . 2]"
1 58 ILE 15.321 0.681 10 3 "[ . *+ .- 2]"
1 59 LEU 11.338 0.557 9 2 "[ . +1 .- 2]"
1 60 GLU 17.972 0.490 18 0 "[ . 1 . 2]"
1 61 LYS 10.990 0.324 19 0 "[ . 1 . 2]"
1 62 GLN 3.668 0.317 9 0 "[ . 1 . 2]"
1 63 GLY 9.411 0.958 14 1 "[ . 1 +. 2]"
1 64 GLU 10.827 0.958 14 1 "[ . 1 +. 2]"
1 65 PHE 13.004 0.355 2 0 "[ . 1 . 2]"
1 66 LYS 5.795 0.330 18 0 "[ . 1 . 2]"
1 67 GLU 12.118 0.746 17 5 "[* * 1 *. +- 2]"
1 68 PHE 6.666 0.257 3 0 "[ . 1 . 2]"
1 69 GLY 10.280 0.914 6 7 "[ .+** 1 - * * *]"
1 70 LYS 13.573 1.149 14 8 "[ .* * **+* * -]"
1 71 CYS 18.182 0.886 12 2 "[ . 1 + - 2]"
1 72 THR 14.266 0.482 11 0 "[ . 1 . 2]"
1 73 TYR 23.948 0.442 8 0 "[ . 1 . 2]"
1 74 LEU 31.714 0.412 9 0 "[ . 1 . 2]"
1 75 GLY 7.170 0.340 2 0 "[ . 1 . 2]"
1 76 GLN 29.039 1.587 20 15 "[** **** ** *** *-*+]"
1 77 ILE 15.938 0.515 16 1 "[ . 1 .+ 2]"
1 78 LYS 13.830 0.459 9 0 "[ . 1 . 2]"
1 79 ASP 3.981 0.289 19 0 "[ . 1 . 2]"
1 80 ASN 22.105 0.459 9 0 "[ . 1 . 2]"
1 81 LYS 17.113 0.421 11 0 "[ . 1 . 2]"
1 82 LYS 9.691 0.447 3 0 "[ . 1 . 2]"
1 83 TYR 20.900 0.412 4 0 "[ . 1 . 2]"
1 84 GLY 4.777 0.410 8 0 "[ . 1 . 2]"
1 85 GLY 8.642 0.350 18 0 "[ . 1 . 2]"
1 86 VAL 5.247 0.416 11 0 "[ . 1 . 2]"
1 87 ILE 17.124 0.357 19 0 "[ . 1 . 2]"
1 88 ILE 8.162 0.463 12 0 "[ . 1 . 2]"
1 89 VAL 18.198 1.149 14 9 "[ .*** * *+* * -]"
1 90 VAL 13.941 1.172 14 7 "[ - * * *+.** 2]"
1 91 LYS 5.123 0.746 17 4 "[* * 1 . +- 2]"
1 92 TYR 15.382 1.172 14 7 "[ - * * *+.** 2]"
1 93 GLU 9.665 0.458 14 0 "[ . 1 . 2]"
1 94 GLU 4.516 0.458 14 0 "[ . 1 . 2]"
1 95 GLY 5.053 0.264 9 0 "[ . 1 . 2]"
1 96 ASN 15.178 0.412 18 0 "[ . 1 . 2]"
1 97 VAL 21.633 0.456 13 0 "[ . 1 . 2]"
1 98 ASN 5.997 0.354 8 0 "[ . 1 . 2]"
1 99 TYR 11.072 0.406 10 0 "[ . 1 . 2]"
1 100 SER 9.254 0.306 1 0 "[ . 1 . 2]"
1 101 LEU 20.818 1.533 16 6 "[ * * - * * .+ 2]"
1 102 ALA 10.148 0.491 11 0 "[ . 1 . 2]"
1 103 TYR 25.609 0.765 10 3 "[ . + *- 2]"
1 104 ASP 8.755 0.373 3 0 "[ . 1 . 2]"
1 105 GLU 3.130 0.280 17 0 "[ . 1 . 2]"
1 106 ASP 0.559 0.117 13 0 "[ . 1 . 2]"
1 107 MET 5.829 0.378 12 0 "[ . 1 . 2]"
1 108 ASN 13.710 0.502 7 1 "[ . + 1 . 2]"
1 109 LEU 34.678 0.765 10 6 "[ . + *** -*]"
1 110 VAL 20.918 0.759 20 2 "[ . 1 . -+]"
1 111 SER 3.309 0.315 19 0 "[ . 1 . 2]"
1 112 PHE 18.395 1.533 16 6 "[ * * - * * .+ 2]"
1 113 THR 9.714 0.364 10 0 "[ . 1 . 2]"
1 114 MET 20.645 0.624 3 6 "[ *+ . 1** -. * 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 2 GLU HA 1 2 GLU HG2 . . 4.250 3.801 3.168 3.901 . 0 0 "[ . 1 . 2]" 1
2 1 2 GLU HA 1 3 ILE H . . 2.550 2.320 2.107 2.645 0.095 8 0 "[ . 1 . 2]" 1
3 1 2 GLU HB2 1 2 GLU HG2 . . 2.800 2.563 2.435 2.998 0.198 12 0 "[ . 1 . 2]" 1
4 1 2 GLU HB2 1 3 ILE H . . 4.630 3.436 2.073 4.216 . 0 0 "[ . 1 . 2]" 1
5 1 2 GLU HB2 1 4 LEU MD1 . . 4.550 4.500 4.064 4.769 0.219 18 0 "[ . 1 . 2]" 1
6 1 2 GLU HB3 1 2 GLU HG3 . . 2.480 2.558 2.434 2.970 0.490 12 0 "[ . 1 . 2]" 1
7 1 2 GLU HB3 1 3 ILE H . . 3.940 3.928 3.570 4.109 0.169 18 0 "[ . 1 . 2]" 1
8 1 2 GLU HG2 1 3 ILE H . . 4.330 4.052 2.776 4.476 0.146 19 0 "[ . 1 . 2]" 1
9 1 2 GLU HG2 1 4 LEU MD1 . . 4.680 3.138 2.319 4.079 . 0 0 "[ . 1 . 2]" 1
10 1 2 GLU HG3 1 4 LEU MD1 . . 4.810 3.186 2.161 4.810 0.000 12 0 "[ . 1 . 2]" 1
11 1 3 ILE H 1 3 ILE HB . . 3.010 2.683 2.540 2.825 . 0 0 "[ . 1 . 2]" 1
12 1 3 ILE H 1 3 ILE MD . . 4.340 3.534 3.274 4.275 . 0 0 "[ . 1 . 2]" 1
13 1 3 ILE H 1 3 ILE HG12 . . 3.800 2.574 2.256 3.877 0.077 2 0 "[ . 1 . 2]" 1
14 1 3 ILE H 1 3 ILE HG13 . . 3.800 3.870 2.974 4.025 0.225 14 0 "[ . 1 . 2]" 1
15 1 3 ILE H 1 3 ILE MG . . 4.140 3.901 3.824 3.969 . 0 0 "[ . 1 . 2]" 1
16 1 3 ILE H 1 4 LEU H . . 4.540 4.170 3.994 4.509 . 0 0 "[ . 1 . 2]" 1
17 1 3 ILE H 1 4 LEU MD1 . . 4.900 4.649 4.069 5.131 0.231 14 0 "[ . 1 . 2]" 1
18 1 3 ILE HA 1 3 ILE MD . . 3.530 2.385 2.090 3.796 0.266 2 0 "[ . 1 . 2]" 1
19 1 3 ILE HA 1 3 ILE HG12 . . 4.030 3.211 2.472 3.340 . 0 0 "[ . 1 . 2]" 1
20 1 3 ILE HA 1 3 ILE HG13 . . 4.110 3.869 3.194 3.954 . 0 0 "[ . 1 . 2]" 1
21 1 3 ILE HA 1 3 ILE MG . . 3.150 2.423 2.359 2.503 . 0 0 "[ . 1 . 2]" 1
22 1 3 ILE HA 1 4 LEU H . . 2.670 2.152 2.068 2.233 . 0 0 "[ . 1 . 2]" 1
23 1 3 ILE HA 1 4 LEU HG . . 4.420 4.848 4.163 5.643 1.223 17 10 "[ * ** * *-* + **]" 1
24 1 3 ILE HA 1 76 GLN HA . . 3.820 1.948 1.628 2.470 . 0 0 "[ . 1 . 2]" 1
25 1 3 ILE HA 1 76 GLN HB2 . . 5.130 4.486 3.628 5.187 0.057 20 0 "[ . 1 . 2]" 1
26 1 3 ILE HA 1 76 GLN HB3 . . 4.860 3.481 2.573 4.311 . 0 0 "[ . 1 . 2]" 1
27 1 3 ILE HA 1 77 ILE H . . 4.890 3.222 2.816 3.612 . 0 0 "[ . 1 . 2]" 1
28 1 3 ILE HA 1 77 ILE MD . . 3.470 3.745 3.529 3.985 0.515 16 1 "[ . 1 .+ 2]" 1
29 1 3 ILE HB 1 4 LEU H . . 4.420 4.311 4.096 4.430 0.010 2 0 "[ . 1 . 2]" 1
30 1 3 ILE MD 1 3 ILE MG . . 3.060 2.093 2.002 2.148 . 0 0 "[ . 1 . 2]" 1
31 1 3 ILE MD 1 76 GLN HA . . 5.500 2.488 2.088 3.835 . 0 0 "[ . 1 . 2]" 1
32 1 3 ILE MD 1 76 GLN HB2 . . 5.500 3.068 2.366 4.777 . 0 0 "[ . 1 . 2]" 1
33 1 3 ILE MD 1 76 GLN QG . . 4.360 3.504 2.359 4.237 . 0 0 "[ . 1 . 2]" 1
34 1 3 ILE MD 1 77 ILE H . . 4.360 2.383 1.764 4.121 . 0 0 "[ . 1 . 2]" 1
35 1 3 ILE HG12 1 3 ILE MG . . 3.510 3.226 2.558 3.274 . 0 0 "[ . 1 . 2]" 1
36 1 3 ILE HG12 1 4 LEU H . . 5.500 5.200 4.553 5.349 . 0 0 "[ . 1 . 2]" 1
37 1 3 ILE HG13 1 3 ILE MG . . 3.620 2.484 2.400 3.253 . 0 0 "[ . 1 . 2]" 1
38 1 3 ILE MG 1 4 LEU H . . 3.400 3.167 2.763 3.431 0.031 1 0 "[ . 1 . 2]" 1
39 1 3 ILE MG 1 75 GLY H . . 4.180 3.872 3.547 4.242 0.062 4 0 "[ . 1 . 2]" 1
40 1 3 ILE MG 1 76 GLN HA . . 5.230 2.865 2.382 3.326 . 0 0 "[ . 1 . 2]" 1
41 1 4 LEU H 1 4 LEU QB . . 3.360 2.491 2.271 2.668 . 0 0 "[ . 1 . 2]" 1
42 1 4 LEU H 1 4 LEU MD1 . . 3.840 2.563 1.517 3.859 0.019 14 0 "[ . 1 . 2]" 1
43 1 4 LEU H 1 4 LEU MD2 . . 3.660 2.933 1.635 4.011 0.351 6 0 "[ . 1 . 2]" 1
44 1 4 LEU H 1 4 LEU HG . . 3.150 3.251 2.528 3.821 0.671 7 4 "[ . + - * . * 2]" 1
45 1 4 LEU H 1 6 GLU H . . 5.420 4.676 4.451 4.901 . 0 0 "[ . 1 . 2]" 1
46 1 4 LEU H 1 75 GLY H . . 3.720 3.475 3.127 3.768 0.048 5 0 "[ . 1 . 2]" 1
47 1 4 LEU H 1 75 GLY HA3 . . 5.180 3.186 2.758 3.715 . 0 0 "[ . 1 . 2]" 1
48 1 4 LEU H 1 76 GLN HA . . 4.080 2.872 2.536 3.305 . 0 0 "[ . 1 . 2]" 1
49 1 4 LEU HA 1 4 LEU MD1 . . 2.950 2.892 2.240 3.608 0.658 3 2 "[ + . -1 . 2]" 1
50 1 4 LEU HA 1 4 LEU HG . . 4.010 3.230 2.533 3.901 . 0 0 "[ . 1 . 2]" 1
51 1 4 LEU HA 1 5 LYS H . . 2.760 2.329 2.220 2.485 . 0 0 "[ . 1 . 2]" 1
52 1 4 LEU HA 1 6 GLU H . . 4.760 3.934 3.519 4.166 . 0 0 "[ . 1 . 2]" 1
53 1 4 LEU QB 1 4 LEU MD2 . . 3.210 2.279 2.132 2.547 . 0 0 "[ . 1 . 2]" 1
54 1 4 LEU QB 1 6 GLU H . . 3.180 2.265 1.877 2.657 . 0 0 "[ . 1 . 2]" 1
55 1 4 LEU QB 1 6 GLU HG2 . . 4.710 2.562 2.073 3.853 . 0 0 "[ . 1 . 2]" 1
56 1 4 LEU QB 1 75 GLY H . . 3.740 2.796 2.320 3.189 . 0 0 "[ . 1 . 2]" 1
57 1 4 LEU QB 1 75 GLY HA2 . . 4.920 3.542 3.396 3.716 . 0 0 "[ . 1 . 2]" 1
58 1 4 LEU QB 1 75 GLY HA3 . . 3.900 1.912 1.684 2.340 . 0 0 "[ . 1 . 2]" 1
59 1 4 LEU MD1 1 5 LYS H . . 4.330 4.171 3.474 4.741 0.411 2 0 "[ . 1 . 2]" 1
60 1 4 LEU MD2 1 6 GLU H . . 4.800 4.457 3.762 4.912 0.112 19 0 "[ . 1 . 2]" 1
61 1 4 LEU MD2 1 8 PRO HA . . 4.520 4.178 3.448 4.663 0.143 14 0 "[ . 1 . 2]" 1
62 1 4 LEU MD2 1 8 PRO HB2 . . 4.750 3.732 3.553 3.921 . 0 0 "[ . 1 . 2]" 1
63 1 4 LEU MD2 1 8 PRO HB3 . . 4.060 2.501 2.213 2.793 . 0 0 "[ . 1 . 2]" 1
64 1 4 LEU MD2 1 8 PRO HD3 . . 5.500 2.695 2.072 3.388 . 0 0 "[ . 1 . 2]" 1
65 1 4 LEU MD2 1 8 PRO HG2 . . 4.010 3.884 3.678 4.133 0.123 14 0 "[ . 1 . 2]" 1
66 1 4 LEU MD2 1 8 PRO HG3 . . 3.960 2.442 2.134 2.705 . 0 0 "[ . 1 . 2]" 1
67 1 4 LEU MD2 1 9 GLU H . . 5.210 5.181 4.938 5.362 0.152 10 0 "[ . 1 . 2]" 1
68 1 4 LEU MD2 1 75 GLY HA3 . . 4.340 3.194 2.317 3.880 . 0 0 "[ . 1 . 2]" 1
69 1 4 LEU MD2 1 76 GLN H . . 4.820 3.973 2.563 5.062 0.242 11 0 "[ . 1 . 2]" 1
70 1 4 LEU HG 1 6 GLU H . . 5.190 4.807 4.167 5.350 0.160 3 0 "[ . 1 . 2]" 1
71 1 4 LEU HG 1 75 GLY H . . 5.360 5.241 4.605 5.519 0.159 7 0 "[ . 1 . 2]" 1
72 1 4 LEU HG 1 75 GLY HA3 . . 3.880 3.683 2.823 4.193 0.313 11 0 "[ . 1 . 2]" 1
73 1 4 LEU HG 1 76 GLN H . . 5.500 5.051 4.115 5.693 0.193 2 0 "[ . 1 . 2]" 1
74 1 4 LEU HG 1 76 GLN HA . . 4.230 5.156 4.546 5.817 1.587 20 15 "[** **** ** *** *-*+]" 1
75 1 5 LYS H 1 5 LYS HB2 . . 3.900 3.004 2.390 3.697 . 0 0 "[ . 1 . 2]" 1
76 1 5 LYS H 1 5 LYS HB3 . . 3.310 3.274 2.653 3.688 0.378 2 0 "[ . 1 . 2]" 1
77 1 5 LYS H 1 5 LYS QD . . 3.190 3.135 2.053 3.635 0.445 1 0 "[ . 1 . 2]" 1
78 1 5 LYS H 1 5 LYS HG2 . . 3.920 3.028 1.832 4.077 0.157 2 0 "[ . 1 . 2]" 1
79 1 5 LYS H 1 5 LYS HG3 . . 4.050 2.921 1.940 4.062 0.012 11 0 "[ . 1 . 2]" 1
80 1 5 LYS H 1 6 GLU H . . 3.350 2.687 2.374 3.217 . 0 0 "[ . 1 . 2]" 1
81 1 5 LYS H 1 6 GLU HG2 . . 4.960 3.189 2.715 3.843 . 0 0 "[ . 1 . 2]" 1
82 1 5 LYS HA 1 5 LYS HB2 . . 2.910 2.790 2.430 3.044 0.134 13 0 "[ . 1 . 2]" 1
83 1 5 LYS HA 1 5 LYS HG3 . . 3.470 3.398 2.599 3.882 0.412 17 0 "[ . 1 . 2]" 1
84 1 5 LYS HA 1 6 GLU H . . 3.220 3.033 2.828 3.285 0.065 9 0 "[ . 1 . 2]" 1
85 1 5 LYS HB3 1 6 GLU H . . 4.550 4.501 4.323 4.646 0.096 16 0 "[ . 1 . 2]" 1
86 1 6 GLU H 1 6 GLU QB . . 3.880 3.264 3.148 3.384 . 0 0 "[ . 1 . 2]" 1
87 1 6 GLU H 1 6 GLU HG2 . . 3.550 2.783 2.516 3.164 . 0 0 "[ . 1 . 2]" 1
88 1 6 GLU H 1 6 GLU HG3 . . 4.050 3.475 3.256 3.659 . 0 0 "[ . 1 . 2]" 1
89 1 6 GLU H 1 7 LEU H . . 4.720 4.343 4.296 4.400 . 0 0 "[ . 1 . 2]" 1
90 1 6 GLU H 1 8 PRO HD2 . . 5.500 5.329 5.061 5.500 . 0 0 "[ . 1 . 2]" 1
91 1 6 GLU H 1 74 LEU HA . . 3.670 2.900 2.208 3.876 0.206 3 0 "[ . 1 . 2]" 1
92 1 6 GLU H 1 74 LEU MD1 . . 5.500 5.435 4.830 5.850 0.350 19 0 "[ . 1 . 2]" 1
93 1 6 GLU H 1 75 GLY H . . 4.590 3.136 2.550 3.662 . 0 0 "[ . 1 . 2]" 1
94 1 6 GLU H 1 75 GLY HA3 . . 5.500 3.747 3.373 4.500 . 0 0 "[ . 1 . 2]" 1
95 1 6 GLU HA 1 6 GLU HG2 . . 4.060 3.813 3.751 3.875 . 0 0 "[ . 1 . 2]" 1
96 1 6 GLU HA 1 6 GLU HG3 . . 4.000 3.776 3.728 3.835 . 0 0 "[ . 1 . 2]" 1
97 1 6 GLU HA 1 7 LEU H . . 2.880 2.545 2.413 2.762 . 0 0 "[ . 1 . 2]" 1
98 1 6 GLU HA 1 7 LEU HG . . 4.260 4.100 3.768 4.287 0.027 7 0 "[ . 1 . 2]" 1
99 1 6 GLU HA 1 73 TYR HB2 . . 4.080 3.054 2.377 3.522 . 0 0 "[ . 1 . 2]" 1
100 1 6 GLU HA 1 73 TYR HB3 . . 4.100 3.981 3.589 4.205 0.105 6 0 "[ . 1 . 2]" 1
101 1 6 GLU HA 1 74 LEU H . . 5.140 4.467 4.043 5.128 . 0 0 "[ . 1 . 2]" 1
102 1 6 GLU QB 1 7 LEU H . . 3.650 2.297 1.967 2.429 . 0 0 "[ . 1 . 2]" 1
103 1 6 GLU HB2 1 7 LEU H . . 3.460 2.318 1.977 2.456 . 0 0 "[ . 1 . 2]" 1
104 1 6 GLU HG2 1 7 LEU H . . 4.400 4.430 3.978 4.555 0.155 1 0 "[ . 1 . 2]" 1
105 1 6 GLU HG3 1 7 LEU H . . 4.400 3.300 2.674 3.526 . 0 0 "[ . 1 . 2]" 1
106 1 6 GLU HG3 1 7 LEU HA . . 5.500 4.231 4.106 4.437 . 0 0 "[ . 1 . 2]" 1
107 1 6 GLU HG3 1 8 PRO HD2 . . 4.650 4.850 4.641 4.997 0.347 17 0 "[ . 1 . 2]" 1
108 1 6 GLU HG3 1 8 PRO HD3 . . 5.180 3.612 3.216 3.970 . 0 0 "[ . 1 . 2]" 1
109 1 7 LEU H 1 7 LEU HB2 . . 3.280 2.436 2.354 2.502 . 0 0 "[ . 1 . 2]" 1
110 1 7 LEU H 1 7 LEU HB3 . . 3.690 3.634 3.583 3.678 . 0 0 "[ . 1 . 2]" 1
111 1 7 LEU H 1 7 LEU MD1 . . 4.530 3.886 3.779 4.121 . 0 0 "[ . 1 . 2]" 1
112 1 7 LEU H 1 7 LEU MD2 . . 4.640 3.410 3.298 3.607 . 0 0 "[ . 1 . 2]" 1
113 1 7 LEU H 1 7 LEU HG . . 3.370 2.633 2.491 2.856 . 0 0 "[ . 1 . 2]" 1
114 1 7 LEU H 1 8 PRO HD2 . . 4.670 4.678 4.589 4.735 0.065 16 0 "[ . 1 . 2]" 1
115 1 7 LEU H 1 8 PRO HD3 . . 4.520 4.549 4.327 4.748 0.228 17 0 "[ . 1 . 2]" 1
116 1 7 LEU H 1 73 TYR HB2 . . 4.460 3.207 2.741 3.681 . 0 0 "[ . 1 . 2]" 1
117 1 7 LEU H 1 73 TYR HB3 . . 3.700 3.715 3.450 4.010 0.310 4 0 "[ . 1 . 2]" 1
118 1 7 LEU H 1 73 TYR QD . . 5.370 4.784 4.376 5.340 . 0 0 "[ . 1 . 2]" 1
119 1 7 LEU HA 1 7 LEU MD1 . . 4.190 3.860 3.819 3.897 . 0 0 "[ . 1 . 2]" 1
120 1 7 LEU HA 1 7 LEU MD2 . . 3.190 2.034 1.970 2.100 . 0 0 "[ . 1 . 2]" 1
121 1 7 LEU HA 1 7 LEU HG . . 3.850 3.225 3.120 3.351 . 0 0 "[ . 1 . 2]" 1
122 1 7 LEU HA 1 8 PRO HD2 . . 3.400 1.973 1.864 2.054 . 0 0 "[ . 1 . 2]" 1
123 1 7 LEU HA 1 8 PRO HD3 . . 3.110 2.717 2.638 2.795 . 0 0 "[ . 1 . 2]" 1
124 1 7 LEU HA 1 75 GLY HA2 . . 3.790 3.765 3.534 3.997 0.207 13 0 "[ . 1 . 2]" 1
125 1 7 LEU HA 1 75 GLY HA3 . . 4.370 3.683 3.176 4.095 . 0 0 "[ . 1 . 2]" 1
126 1 7 LEU HB2 1 7 LEU MD1 . . 3.490 2.408 2.358 2.503 . 0 0 "[ . 1 . 2]" 1
127 1 7 LEU HB2 1 73 TYR HB3 . . 4.170 4.253 3.984 4.488 0.318 20 0 "[ . 1 . 2]" 1
128 1 7 LEU HB3 1 7 LEU MD1 . . 3.530 2.378 2.340 2.414 . 0 0 "[ . 1 . 2]" 1
129 1 7 LEU HB3 1 8 PRO HD2 . . 4.150 3.708 3.483 3.893 . 0 0 "[ . 1 . 2]" 1
130 1 7 LEU HB3 1 8 PRO HD3 . . 5.210 4.808 4.693 4.903 . 0 0 "[ . 1 . 2]" 1
131 1 7 LEU HB3 1 11 PHE H . . 5.220 4.343 3.970 4.763 . 0 0 "[ . 1 . 2]" 1
132 1 7 LEU HB3 1 11 PHE HB2 . . 3.950 2.248 1.832 2.686 . 0 0 "[ . 1 . 2]" 1
133 1 7 LEU HB3 1 73 TYR HB3 . . 5.500 4.778 4.596 4.976 . 0 0 "[ . 1 . 2]" 1
134 1 7 LEU MD1 1 8 PRO HD2 . . 5.130 5.091 4.924 5.257 0.127 3 0 "[ . 1 . 2]" 1
135 1 7 LEU MD1 1 11 PHE H . . 5.500 4.872 4.636 5.172 . 0 0 "[ . 1 . 2]" 1
136 1 7 LEU MD1 1 11 PHE HB2 . . 4.470 2.624 2.347 2.853 . 0 0 "[ . 1 . 2]" 1
137 1 7 LEU MD1 1 11 PHE HB3 . . 3.970 2.782 2.421 3.000 . 0 0 "[ . 1 . 2]" 1
138 1 7 LEU MD1 1 12 ASP H . . 5.140 3.099 2.319 3.851 . 0 0 "[ . 1 . 2]" 1
139 1 7 LEU MD1 1 12 ASP HA . . 4.400 3.512 3.233 3.757 . 0 0 "[ . 1 . 2]" 1
140 1 7 LEU MD1 1 13 LYS H . . 4.490 3.055 2.683 3.335 . 0 0 "[ . 1 . 2]" 1
141 1 7 LEU MD1 1 13 LYS HA . . 3.280 1.997 1.794 2.159 . 0 0 "[ . 1 . 2]" 1
142 1 7 LEU MD1 1 13 LYS HB3 . . 5.500 3.665 3.382 4.036 . 0 0 "[ . 1 . 2]" 1
143 1 7 LEU MD1 1 14 GLU H . . 5.500 4.628 4.369 4.807 . 0 0 "[ . 1 . 2]" 1
144 1 7 LEU MD1 1 16 VAL H . . 5.500 4.009 3.662 4.301 . 0 0 "[ . 1 . 2]" 1
145 1 7 LEU MD1 1 16 VAL HB . . 4.440 2.516 2.171 2.916 . 0 0 "[ . 1 . 2]" 1
146 1 7 LEU MD1 1 16 VAL MG2 . . 3.450 2.336 1.965 2.871 . 0 0 "[ . 1 . 2]" 1
147 1 7 LEU MD1 1 73 TYR HB2 . . 5.140 3.694 3.475 3.801 . 0 0 "[ . 1 . 2]" 1
148 1 7 LEU MD1 1 73 TYR HB3 . . 3.520 2.912 2.595 3.274 . 0 0 "[ . 1 . 2]" 1
149 1 7 LEU MD1 1 73 TYR QD . . 3.420 2.748 2.275 3.095 . 0 0 "[ . 1 . 2]" 1
150 1 7 LEU MD1 1 73 TYR QE . . 4.690 3.619 3.305 3.943 . 0 0 "[ . 1 . 2]" 1
151 1 7 LEU MD1 1 84 GLY HA2 . . 5.190 5.053 4.840 5.291 0.101 15 0 "[ . 1 . 2]" 1
152 1 7 LEU MD1 1 84 GLY HA3 . . 4.720 4.510 4.109 4.747 0.027 17 0 "[ . 1 . 2]" 1
153 1 7 LEU MD2 1 8 PRO HD2 . . 4.450 3.182 3.021 3.369 . 0 0 "[ . 1 . 2]" 1
154 1 7 LEU MD2 1 8 PRO HD3 . . 4.170 4.139 3.997 4.244 0.074 1 0 "[ . 1 . 2]" 1
155 1 7 LEU MD2 1 11 PHE HB3 . . 4.270 2.918 2.572 3.529 . 0 0 "[ . 1 . 2]" 1
156 1 7 LEU MD2 1 13 LYS HA . . 4.550 4.287 4.033 4.613 0.063 9 0 "[ . 1 . 2]" 1
157 1 7 LEU MD2 1 73 TYR HB3 . . 3.360 2.294 2.216 2.406 . 0 0 "[ . 1 . 2]" 1
158 1 7 LEU MD2 1 73 TYR QD . . 3.740 2.904 2.665 3.336 . 0 0 "[ . 1 . 2]" 1
159 1 7 LEU MD2 1 73 TYR QE . . 5.280 4.674 4.405 4.997 . 0 0 "[ . 1 . 2]" 1
160 1 7 LEU MD2 1 74 LEU H . . 4.120 2.867 2.280 3.524 . 0 0 "[ . 1 . 2]" 1
161 1 7 LEU MD2 1 76 GLN H . . 5.500 5.295 4.969 5.639 0.139 19 0 "[ . 1 . 2]" 1
162 1 7 LEU MD2 1 84 GLY HA2 . . 3.840 2.757 2.511 2.911 . 0 0 "[ . 1 . 2]" 1
163 1 7 LEU MD2 1 84 GLY HA3 . . 3.840 2.684 2.240 3.146 . 0 0 "[ . 1 . 2]" 1
164 1 7 LEU MD2 1 85 GLY H . . 3.320 2.527 2.109 2.939 . 0 0 "[ . 1 . 2]" 1
165 1 7 LEU MD2 1 85 GLY HA3 . . 5.280 4.247 3.959 4.490 . 0 0 "[ . 1 . 2]" 1
166 1 7 LEU HG 1 11 PHE HB3 . . 5.500 5.304 4.822 5.589 0.089 15 0 "[ . 1 . 2]" 1
167 1 7 LEU HG 1 13 LYS HE3 . . 4.690 4.812 4.609 4.933 0.243 6 0 "[ . 1 . 2]" 1
168 1 7 LEU HG 1 73 TYR HB2 . . 4.350 2.497 2.419 2.568 . 0 0 "[ . 1 . 2]" 1
169 1 7 LEU HG 1 73 TYR HB3 . . 3.570 1.883 1.646 2.114 . 0 0 "[ . 1 . 2]" 1
170 1 7 LEU HG 1 73 TYR QD . . 3.690 3.405 3.163 3.654 . 0 0 "[ . 1 . 2]" 1
171 1 7 LEU HG 1 73 TYR QE . . 5.500 5.009 4.677 5.304 . 0 0 "[ . 1 . 2]" 1
172 1 7 LEU HG 1 85 GLY H . . 5.500 4.948 4.510 5.551 0.051 11 0 "[ . 1 . 2]" 1
173 1 8 PRO HA 1 9 GLU H . . 2.900 2.772 2.377 3.020 0.120 3 0 "[ . 1 . 2]" 1
174 1 8 PRO HB2 1 9 GLU H . . 2.830 1.994 1.619 2.728 . 0 0 "[ . 1 . 2]" 1
175 1 8 PRO HB3 1 9 GLU H . . 3.690 3.259 3.122 3.437 . 0 0 "[ . 1 . 2]" 1
176 1 8 PRO HD2 1 75 GLY H . . 5.500 5.074 4.656 5.490 . 0 0 "[ . 1 . 2]" 1
177 1 8 PRO HD2 1 75 GLY HA2 . . 4.640 3.034 2.831 3.236 . 0 0 "[ . 1 . 2]" 1
178 1 8 PRO HD2 1 75 GLY HA3 . . 4.370 2.886 2.262 3.366 . 0 0 "[ . 1 . 2]" 1
179 1 8 PRO HD2 1 76 GLN H . . 4.980 4.020 3.646 4.404 . 0 0 "[ . 1 . 2]" 1
180 1 8 PRO HD2 1 84 GLY HA2 . . 4.280 3.663 2.917 4.362 0.082 11 0 "[ . 1 . 2]" 1
181 1 8 PRO HD3 1 75 GLY H . . 5.500 4.510 3.976 5.195 . 0 0 "[ . 1 . 2]" 1
182 1 8 PRO HD3 1 75 GLY HA2 . . 4.110 3.407 2.895 3.843 . 0 0 "[ . 1 . 2]" 1
183 1 8 PRO HD3 1 75 GLY HA3 . . 4.150 2.295 1.801 3.084 . 0 0 "[ . 1 . 2]" 1
184 1 8 PRO HG2 1 75 GLY HA2 . . 4.810 4.454 4.069 4.848 0.038 3 0 "[ . 1 . 2]" 1
185 1 8 PRO HG2 1 75 GLY HA3 . . 5.080 4.244 3.700 4.788 . 0 0 "[ . 1 . 2]" 1
186 1 8 PRO HG3 1 9 GLU H . . 5.190 4.553 4.020 5.171 . 0 0 "[ . 1 . 2]" 1
187 1 8 PRO HG3 1 75 GLY HA2 . . 4.640 4.050 3.482 4.628 . 0 0 "[ . 1 . 2]" 1
188 1 9 GLU H 1 9 GLU QB . . 3.070 2.437 2.341 2.561 . 0 0 "[ . 1 . 2]" 1
189 1 9 GLU H 1 9 GLU QG . . 3.500 2.524 2.026 3.395 . 0 0 "[ . 1 . 2]" 1
190 1 9 GLU H 1 10 GLY H . . 4.590 4.579 4.509 4.634 0.044 9 0 "[ . 1 . 2]" 1
191 1 9 GLU H 1 11 PHE H . . 5.500 5.190 4.791 5.550 0.050 4 0 "[ . 1 . 2]" 1
192 1 9 GLU HA 1 9 GLU QG . . 3.560 2.520 2.350 3.378 . 0 0 "[ . 1 . 2]" 1
193 1 9 GLU HA 1 10 GLY H . . 2.670 2.172 2.130 2.229 . 0 0 "[ . 1 . 2]" 1
194 1 9 GLU HA 1 10 GLY HA3 . . 4.420 4.441 4.391 4.508 0.088 9 0 "[ . 1 . 2]" 1
195 1 9 GLU HA 1 11 PHE H . . 3.840 3.515 3.168 3.747 . 0 0 "[ . 1 . 2]" 1
196 1 9 GLU HA 1 11 PHE QD . . 5.500 4.620 4.140 5.361 . 0 0 "[ . 1 . 2]" 1
197 1 9 GLU QB 1 10 GLY H . . 3.810 2.984 2.768 3.307 . 0 0 "[ . 1 . 2]" 1
198 1 9 GLU QB 1 10 GLY HA3 . . 5.110 4.069 3.811 4.405 . 0 0 "[ . 1 . 2]" 1
199 1 9 GLU QB 1 11 PHE H . . 4.910 4.777 4.554 4.975 0.065 5 0 "[ . 1 . 2]" 1
200 1 9 GLU QG 1 10 GLY H . . 4.100 4.010 3.800 4.143 0.043 8 0 "[ . 1 . 2]" 1
201 1 9 GLU QG 1 10 GLY HA3 . . 5.500 5.590 3.892 5.908 0.408 5 0 "[ . 1 . 2]" 1
202 1 9 GLU QG 1 11 PHE H . . 5.500 5.476 4.770 5.819 0.319 13 0 "[ . 1 . 2]" 1
203 1 10 GLY H 1 11 PHE H . . 3.200 2.456 2.218 2.996 . 0 0 "[ . 1 . 2]" 1
204 1 10 GLY H 1 11 PHE QD . . 5.500 4.664 3.839 5.242 . 0 0 "[ . 1 . 2]" 1
205 1 11 PHE H 1 11 PHE HB3 . . 3.830 3.845 3.666 3.941 0.111 13 0 "[ . 1 . 2]" 1
206 1 11 PHE H 1 11 PHE QD . . 3.630 2.985 2.193 3.387 . 0 0 "[ . 1 . 2]" 1
207 1 11 PHE H 1 12 ASP H . . 5.190 4.453 4.319 4.551 . 0 0 "[ . 1 . 2]" 1
208 1 11 PHE HA 1 11 PHE QD . . 4.030 2.827 2.580 3.193 . 0 0 "[ . 1 . 2]" 1
209 1 11 PHE HA 1 12 ASP H . . 2.990 2.467 2.063 2.800 . 0 0 "[ . 1 . 2]" 1
210 1 11 PHE HA 1 16 VAL MG2 . . 4.780 3.693 3.180 4.217 . 0 0 "[ . 1 . 2]" 1
211 1 11 PHE HB2 1 12 ASP H . . 4.350 3.265 2.648 4.135 . 0 0 "[ . 1 . 2]" 1
212 1 11 PHE HB2 1 16 VAL MG2 . . 4.190 3.460 3.004 3.996 . 0 0 "[ . 1 . 2]" 1
213 1 11 PHE HB3 1 11 PHE QD . . 3.230 2.554 2.400 2.662 . 0 0 "[ . 1 . 2]" 1
214 1 11 PHE HB3 1 12 ASP H . . 4.070 2.497 2.228 3.337 . 0 0 "[ . 1 . 2]" 1
215 1 11 PHE HB3 1 12 ASP HA . . 5.500 4.778 4.613 5.119 . 0 0 "[ . 1 . 2]" 1
216 1 11 PHE HB3 1 16 VAL MG2 . . 3.610 2.335 1.943 2.829 . 0 0 "[ . 1 . 2]" 1
217 1 11 PHE QD 1 12 ASP H . . 5.300 4.194 3.899 4.563 . 0 0 "[ . 1 . 2]" 1
218 1 11 PHE QD 1 83 TYR HA . . 4.790 4.775 4.444 4.946 0.156 18 0 "[ . 1 . 2]" 1
219 1 11 PHE QD 1 84 GLY HA3 . . 4.420 3.358 3.007 3.870 . 0 0 "[ . 1 . 2]" 1
220 1 11 PHE QD 1 105 GLU HA . . 3.360 3.219 2.530 3.640 0.280 17 0 "[ . 1 . 2]" 1
221 1 11 PHE QD 1 105 GLU HG2 . . 4.350 3.928 3.404 4.515 0.165 20 0 "[ . 1 . 2]" 1
222 1 11 PHE QD 1 105 GLU HG3 . . 4.310 4.380 4.140 4.492 0.182 15 0 "[ . 1 . 2]" 1
223 1 12 ASP H 1 12 ASP HB2 . . 3.590 3.041 2.437 3.431 . 0 0 "[ . 1 . 2]" 1
224 1 12 ASP H 1 12 ASP QB . . 3.170 2.664 2.402 2.901 . 0 0 "[ . 1 . 2]" 1
225 1 12 ASP H 1 12 ASP HB3 . . 3.520 3.196 2.687 3.777 0.257 15 0 "[ . 1 . 2]" 1
226 1 12 ASP H 1 15 THR HB . . 3.980 3.545 3.123 4.043 0.063 3 0 "[ . 1 . 2]" 1
227 1 12 ASP H 1 16 VAL MG2 . . 3.840 2.410 1.884 3.243 . 0 0 "[ . 1 . 2]" 1
228 1 12 ASP HA 1 13 LYS H . . 2.760 2.207 2.137 2.264 . 0 0 "[ . 1 . 2]" 1
229 1 12 ASP HA 1 13 LYS HG3 . . 4.600 3.905 3.462 4.907 0.307 6 0 "[ . 1 . 2]" 1
230 1 12 ASP HA 1 14 GLU H . . 4.980 4.216 3.810 4.669 . 0 0 "[ . 1 . 2]" 1
231 1 12 ASP QB 1 13 LYS H . . 4.100 3.528 3.020 3.839 . 0 0 "[ . 1 . 2]" 1
232 1 12 ASP QB 1 14 GLU H . . 4.890 3.687 2.994 3.949 . 0 0 "[ . 1 . 2]" 1
233 1 12 ASP QB 1 15 THR H . . 3.830 2.720 2.377 2.926 . 0 0 "[ . 1 . 2]" 1
234 1 12 ASP QB 1 16 VAL H . . 4.810 3.645 3.351 3.860 . 0 0 "[ . 1 . 2]" 1
235 1 12 ASP HB2 1 14 GLU H . . 4.650 4.791 4.458 4.990 0.340 4 0 "[ . 1 . 2]" 1
236 1 12 ASP HB2 1 15 THR H . . 4.320 3.876 2.998 4.352 0.032 14 0 "[ . 1 . 2]" 1
237 1 12 ASP HB2 1 15 THR HB . . 3.270 2.988 1.842 3.524 0.254 18 0 "[ . 1 . 2]" 1
238 1 12 ASP HB2 1 15 THR MG . . 4.850 4.020 3.128 4.418 . 0 0 "[ . 1 . 2]" 1
239 1 12 ASP HB3 1 14 GLU H . . 4.640 3.838 3.037 4.140 . 0 0 "[ . 1 . 2]" 1
240 1 12 ASP HB3 1 15 THR H . . 4.270 2.835 2.469 3.220 . 0 0 "[ . 1 . 2]" 1
241 1 12 ASP HB3 1 15 THR HB . . 3.440 2.360 1.764 3.502 0.062 17 0 "[ . 1 . 2]" 1
242 1 12 ASP HB3 1 15 THR MG . . 4.710 3.749 3.238 4.669 . 0 0 "[ . 1 . 2]" 1
243 1 13 LYS H 1 13 LYS HB2 . . 3.710 2.394 1.989 2.547 . 0 0 "[ . 1 . 2]" 1
244 1 13 LYS H 1 13 LYS HB3 . . 3.250 3.481 3.168 3.546 0.296 11 0 "[ . 1 . 2]" 1
245 1 13 LYS H 1 13 LYS HG2 . . 4.160 3.417 3.059 4.373 0.213 9 0 "[ . 1 . 2]" 1
246 1 13 LYS H 1 13 LYS HG3 . . 3.470 2.297 1.986 3.538 0.068 9 0 "[ . 1 . 2]" 1
247 1 13 LYS H 1 14 GLU H . . 3.670 2.776 2.636 2.905 . 0 0 "[ . 1 . 2]" 1
248 1 13 LYS H 1 14 GLU HA . . 5.500 5.382 5.269 5.491 . 0 0 "[ . 1 . 2]" 1
249 1 13 LYS H 1 73 TYR QE . . 5.500 5.645 5.469 5.831 0.331 9 0 "[ . 1 . 2]" 1
250 1 13 LYS HA 1 13 LYS HG2 . . 3.570 2.557 2.489 2.631 . 0 0 "[ . 1 . 2]" 1
251 1 13 LYS HA 1 13 LYS HG3 . . 3.520 3.029 2.359 3.238 . 0 0 "[ . 1 . 2]" 1
252 1 13 LYS HA 1 14 GLU HA . . 4.920 4.731 4.414 4.874 . 0 0 "[ . 1 . 2]" 1
253 1 13 LYS HA 1 16 VAL HB . . 3.430 2.916 2.632 3.418 . 0 0 "[ . 1 . 2]" 1
254 1 13 LYS HA 1 73 TYR QD . . 5.010 3.776 3.508 4.003 . 0 0 "[ . 1 . 2]" 1
255 1 13 LYS HA 1 73 TYR QE . . 3.980 3.426 3.096 3.687 . 0 0 "[ . 1 . 2]" 1
256 1 13 LYS HB2 1 13 LYS HE2 . . 5.500 3.202 2.938 3.565 . 0 0 "[ . 1 . 2]" 1
257 1 13 LYS HB2 1 13 LYS HE3 . . 5.020 3.836 2.087 4.223 . 0 0 "[ . 1 . 2]" 1
258 1 13 LYS HB2 1 14 GLU H . . 4.000 2.736 2.333 3.918 . 0 0 "[ . 1 . 2]" 1
259 1 13 LYS HB2 1 73 TYR QE . . 5.250 4.572 4.161 5.169 . 0 0 "[ . 1 . 2]" 1
260 1 13 LYS HB3 1 13 LYS HE3 . . 3.080 3.123 2.817 3.444 0.364 6 0 "[ . 1 . 2]" 1
261 1 13 LYS HB3 1 14 GLU H . . 3.490 3.608 3.394 3.816 0.326 9 0 "[ . 1 . 2]" 1
262 1 13 LYS QD 1 73 TYR QE . . 4.260 4.247 3.542 4.496 0.236 2 0 "[ . 1 . 2]" 1
263 1 13 LYS HE2 1 13 LYS HG2 . . 4.010 3.189 3.040 3.701 . 0 0 "[ . 1 . 2]" 1
264 1 13 LYS HE2 1 13 LYS HG3 . . 4.040 3.627 2.545 3.857 . 0 0 "[ . 1 . 2]" 1
265 1 13 LYS HE2 1 73 TYR QD . . 4.590 3.764 3.143 4.953 0.363 3 0 "[ . 1 . 2]" 1
266 1 13 LYS HE3 1 13 LYS HG2 . . 4.060 2.686 2.466 3.676 . 0 0 "[ . 1 . 2]" 1
267 1 13 LYS HG2 1 14 GLU H . . 5.360 5.027 4.862 5.344 . 0 0 "[ . 1 . 2]" 1
268 1 13 LYS HG2 1 73 TYR QD . . 4.440 3.541 2.569 4.219 . 0 0 "[ . 1 . 2]" 1
269 1 13 LYS HG2 1 73 TYR QE . . 4.150 3.849 2.684 4.182 0.032 10 0 "[ . 1 . 2]" 1
270 1 13 LYS HG3 1 14 GLU H . . 5.500 4.437 4.103 5.284 . 0 0 "[ . 1 . 2]" 1
271 1 14 GLU H 1 14 GLU QB . . 3.050 2.484 2.281 2.905 . 0 0 "[ . 1 . 2]" 1
272 1 14 GLU H 1 14 GLU QG . . 3.560 2.430 2.099 3.496 . 0 0 "[ . 1 . 2]" 1
273 1 14 GLU H 1 15 THR H . . 3.180 2.455 2.112 2.771 . 0 0 "[ . 1 . 2]" 1
274 1 14 GLU H 1 15 THR HB . . 5.120 4.692 4.290 5.133 0.013 8 0 "[ . 1 . 2]" 1
275 1 14 GLU HA 1 14 GLU QG . . 3.480 2.678 2.378 3.536 0.056 20 0 "[ . 1 . 2]" 1
276 1 15 THR H 1 15 THR HB . . 3.200 2.538 2.410 2.712 . 0 0 "[ . 1 . 2]" 1
277 1 15 THR H 1 15 THR MG . . 4.300 3.792 3.751 3.820 . 0 0 "[ . 1 . 2]" 1
278 1 15 THR H 1 16 VAL H . . 2.880 2.536 2.358 2.732 . 0 0 "[ . 1 . 2]" 1
279 1 15 THR HA 1 15 THR MG . . 3.450 2.451 2.352 2.545 . 0 0 "[ . 1 . 2]" 1
280 1 15 THR HB 1 16 VAL H . . 3.450 2.749 2.432 3.065 . 0 0 "[ . 1 . 2]" 1
281 1 15 THR HB 1 16 VAL HA . . 5.130 4.380 4.169 4.528 . 0 0 "[ . 1 . 2]" 1
282 1 15 THR HB 1 16 VAL MG2 . . 4.490 3.211 2.811 3.725 . 0 0 "[ . 1 . 2]" 1
283 1 16 VAL H 1 16 VAL HB . . 3.230 2.355 2.224 2.463 . 0 0 "[ . 1 . 2]" 1
284 1 16 VAL H 1 16 VAL MG2 . . 3.130 2.506 2.356 2.673 . 0 0 "[ . 1 . 2]" 1
285 1 16 VAL H 1 19 GLN H . . 4.720 4.727 4.520 4.849 0.129 20 0 "[ . 1 . 2]" 1
286 1 16 VAL H 1 73 TYR QE . . 5.260 4.451 4.254 4.699 . 0 0 "[ . 1 . 2]" 1
287 1 16 VAL HA 1 16 VAL MG1 . . 3.430 2.624 2.541 2.752 . 0 0 "[ . 1 . 2]" 1
288 1 16 VAL HA 1 16 VAL MG2 . . 3.130 2.340 2.280 2.391 . 0 0 "[ . 1 . 2]" 1
289 1 16 VAL HA 1 18 LYS H . . 4.940 4.579 3.992 4.969 0.029 19 0 "[ . 1 . 2]" 1
290 1 16 VAL HA 1 19 GLN H . . 4.610 3.569 2.994 3.828 . 0 0 "[ . 1 . 2]" 1
291 1 16 VAL HA 1 19 GLN HB2 . . 4.390 3.626 2.852 4.455 0.065 12 0 "[ . 1 . 2]" 1
292 1 16 VAL HA 1 19 GLN HB3 . . 4.010 3.126 2.229 4.177 0.167 8 0 "[ . 1 . 2]" 1
293 1 16 VAL HA 1 20 ALA MB . . 4.650 4.636 4.338 4.841 0.191 7 0 "[ . 1 . 2]" 1
294 1 16 VAL HA 1 103 TYR QE . . 5.500 3.389 3.016 3.874 . 0 0 "[ . 1 . 2]" 1
295 1 16 VAL HB 1 17 ARG H . . 3.040 2.863 2.531 3.135 0.095 18 0 "[ . 1 . 2]" 1
296 1 16 VAL HB 1 73 TYR QD . . 4.490 3.353 3.028 3.702 . 0 0 "[ . 1 . 2]" 1
297 1 16 VAL HB 1 73 TYR QE . . 3.110 3.111 2.864 3.235 0.125 2 0 "[ . 1 . 2]" 1
298 1 16 VAL MG1 1 17 ARG H . . 3.920 3.323 2.649 3.772 . 0 0 "[ . 1 . 2]" 1
299 1 16 VAL MG1 1 73 TYR QD . . 3.680 2.269 1.798 2.754 . 0 0 "[ . 1 . 2]" 1
300 1 16 VAL MG1 1 73 TYR QE . . 2.810 2.713 2.228 2.913 0.103 10 0 "[ . 1 . 2]" 1
301 1 16 VAL MG1 1 103 TYR QE . . 4.150 2.478 1.505 3.482 . 0 0 "[ . 1 . 2]" 1
302 1 16 VAL MG2 1 17 ARG H . . 4.850 4.092 3.999 4.206 . 0 0 "[ . 1 . 2]" 1
303 1 16 VAL MG2 1 73 TYR QE . . 5.390 4.569 4.222 4.725 . 0 0 "[ . 1 . 2]" 1
304 1 17 ARG H 1 17 ARG HB2 . . 3.300 2.500 2.338 2.639 . 0 0 "[ . 1 . 2]" 1
305 1 17 ARG H 1 17 ARG HB3 . . 3.280 2.562 2.217 2.692 . 0 0 "[ . 1 . 2]" 1
306 1 17 ARG H 1 17 ARG HD2 . . 5.040 5.031 4.786 5.885 0.845 19 1 "[ . 1 . +2]" 1
307 1 17 ARG H 1 17 ARG HG2 . . 4.800 4.479 4.313 4.633 . 0 0 "[ . 1 . 2]" 1
308 1 17 ARG H 1 17 ARG HG3 . . 4.620 4.516 4.401 4.635 0.015 1 0 "[ . 1 . 2]" 1
309 1 17 ARG H 1 18 LYS H . . 3.430 2.751 2.613 2.998 . 0 0 "[ . 1 . 2]" 1
310 1 17 ARG H 1 19 GLN H . . 4.490 4.178 3.886 4.392 . 0 0 "[ . 1 . 2]" 1
311 1 17 ARG H 1 73 TYR QE . . 3.310 2.765 2.541 3.008 . 0 0 "[ . 1 . 2]" 1
312 1 17 ARG HA 1 17 ARG HD2 . . 4.350 4.364 2.302 4.705 0.355 19 0 "[ . 1 . 2]" 1
313 1 17 ARG HA 1 17 ARG HG2 . . 3.910 2.893 2.339 3.880 . 0 0 "[ . 1 . 2]" 1
314 1 17 ARG HA 1 17 ARG HG3 . . 3.230 2.973 2.553 3.577 0.347 13 0 "[ . 1 . 2]" 1
315 1 17 ARG HA 1 20 ALA MB . . 3.600 3.151 2.825 3.676 0.076 13 0 "[ . 1 . 2]" 1
316 1 17 ARG HA 1 21 MET H . . 5.460 4.640 4.306 5.277 . 0 0 "[ . 1 . 2]" 1
317 1 17 ARG HA 1 73 TYR QE . . 3.870 3.009 2.701 3.334 . 0 0 "[ . 1 . 2]" 1
318 1 17 ARG HA 1 88 ILE MD . . 4.720 3.559 2.985 3.960 . 0 0 "[ . 1 . 2]" 1
319 1 17 ARG HB2 1 17 ARG HD2 . . 3.840 3.228 2.534 3.911 0.071 13 0 "[ . 1 . 2]" 1
320 1 17 ARG HB2 1 17 ARG HD3 . . 3.850 3.559 2.422 4.141 0.291 13 0 "[ . 1 . 2]" 1
321 1 17 ARG HB2 1 18 LYS H . . 3.970 3.738 3.638 3.909 . 0 0 "[ . 1 . 2]" 1
322 1 17 ARG HB2 1 73 TYR QE . . 4.730 2.515 2.180 3.192 . 0 0 "[ . 1 . 2]" 1
323 1 17 ARG HB3 1 18 LYS H . . 3.750 2.393 2.232 2.727 . 0 0 "[ . 1 . 2]" 1
324 1 17 ARG HB3 1 73 TYR QE . . 5.020 3.948 3.614 4.396 . 0 0 "[ . 1 . 2]" 1
325 1 17 ARG HD2 1 18 LYS H . . 5.500 4.490 3.538 5.547 0.047 19 0 "[ . 1 . 2]" 1
326 1 17 ARG HD2 1 88 ILE MD . . 5.500 4.028 2.272 4.896 . 0 0 "[ . 1 . 2]" 1
327 1 17 ARG HD3 1 18 LYS H . . 5.360 4.818 3.469 5.485 0.125 19 0 "[ . 1 . 2]" 1
328 1 17 ARG HD3 1 21 MET ME . . 4.350 4.023 2.588 4.460 0.110 2 0 "[ . 1 . 2]" 1
329 1 17 ARG HD3 1 88 ILE MD . . 5.500 3.602 2.677 5.464 . 0 0 "[ . 1 . 2]" 1
330 1 18 LYS H 1 18 LYS HB2 . . 3.570 2.272 2.045 2.508 . 0 0 "[ . 1 . 2]" 1
331 1 18 LYS H 1 18 LYS HB3 . . 2.930 2.817 2.382 3.466 0.536 9 1 "[ . +1 . 2]" 1
332 1 18 LYS H 1 18 LYS QG . . 3.760 3.738 2.141 4.002 0.242 4 0 "[ . 1 . 2]" 1
333 1 18 LYS H 1 21 MET ME . . 5.050 4.451 3.514 5.091 0.041 17 0 "[ . 1 . 2]" 1
334 1 18 LYS HA 1 18 LYS HB2 . . 2.770 2.648 2.396 3.006 0.236 9 0 "[ . 1 . 2]" 1
335 1 18 LYS HA 1 18 LYS QD . . 4.020 3.320 2.122 4.272 0.252 14 0 "[ . 1 . 2]" 1
336 1 18 LYS HA 1 18 LYS QG . . 3.740 2.491 2.371 2.846 . 0 0 "[ . 1 . 2]" 1
337 1 18 LYS HA 1 21 MET H . . 4.080 3.595 3.039 3.860 . 0 0 "[ . 1 . 2]" 1
338 1 18 LYS HA 1 21 MET ME . . 3.040 2.422 1.728 3.084 0.044 15 0 "[ . 1 . 2]" 1
339 1 18 LYS HA 1 21 MET HG3 . . 5.340 2.967 2.102 4.614 . 0 0 "[ . 1 . 2]" 1
340 1 18 LYS HB3 1 19 GLN H . . 3.220 2.776 2.460 3.357 0.137 9 0 "[ . 1 . 2]" 1
341 1 18 LYS QG 1 21 MET ME . . 3.330 3.008 2.213 3.473 0.143 20 0 "[ . 1 . 2]" 1
342 1 19 GLN H 1 19 GLN HB2 . . 3.530 2.427 2.140 2.643 . 0 0 "[ . 1 . 2]" 1
343 1 19 GLN H 1 19 GLN HB3 . . 3.420 2.771 2.466 3.460 0.040 8 0 "[ . 1 . 2]" 1
344 1 19 GLN H 1 19 GLN HG2 . . 5.330 4.367 3.075 4.747 . 0 0 "[ . 1 . 2]" 1
345 1 19 GLN H 1 20 ALA H . . 3.400 2.927 2.537 3.602 0.202 3 0 "[ . 1 . 2]" 1
346 1 19 GLN HA 1 19 GLN HE21 . . 4.290 2.525 1.942 2.962 . 0 0 "[ . 1 . 2]" 1
347 1 19 GLN HA 1 19 GLN HE22 . . 3.660 3.435 3.136 3.691 0.031 6 0 "[ . 1 . 2]" 1
348 1 19 GLN HA 1 19 GLN HG2 . . 4.210 3.227 2.480 3.865 . 0 0 "[ . 1 . 2]" 1
349 1 19 GLN HA 1 22 GLU H . . 4.390 3.889 3.363 4.300 . 0 0 "[ . 1 . 2]" 1
350 1 19 GLN HA 1 23 ASP H . . 4.650 4.552 4.200 4.764 0.114 6 0 "[ . 1 . 2]" 1
351 1 19 GLN HA 1 107 MET ME . . 5.500 4.732 4.038 5.298 . 0 0 "[ . 1 . 2]" 1
352 1 19 GLN HB2 1 19 GLN HE22 . . 4.970 4.775 4.381 5.098 0.128 16 0 "[ . 1 . 2]" 1
353 1 19 GLN HB2 1 20 ALA H . . 4.530 4.188 3.200 4.599 0.069 13 0 "[ . 1 . 2]" 1
354 1 19 GLN HB3 1 19 GLN HE22 . . 5.290 4.771 3.735 5.181 . 0 0 "[ . 1 . 2]" 1
355 1 19 GLN HB3 1 20 ALA H . . 4.420 3.567 2.660 4.359 . 0 0 "[ . 1 . 2]" 1
356 1 19 GLN HB3 1 20 ALA HA . . 4.930 4.594 3.947 5.197 0.267 18 0 "[ . 1 . 2]" 1
357 1 19 GLN HE21 1 22 GLU QB . . 4.070 3.299 2.423 4.310 0.240 7 0 "[ . 1 . 2]" 1
358 1 19 GLN HE21 1 22 GLU HG3 . . 5.460 4.657 3.091 5.547 0.087 7 0 "[ . 1 . 2]" 1
359 1 19 GLN HE21 1 23 ASP H . . 5.500 4.191 3.184 5.416 . 0 0 "[ . 1 . 2]" 1
360 1 19 GLN HE21 1 103 TYR QE . . 5.500 4.693 2.708 5.540 0.040 8 0 "[ . 1 . 2]" 1
361 1 19 GLN HE22 1 19 GLN HG2 . . 4.020 3.804 3.470 4.067 0.047 15 0 "[ . 1 . 2]" 1
362 1 19 GLN HE22 1 22 GLU QB . . 4.490 3.552 2.809 4.624 0.134 19 0 "[ . 1 . 2]" 1
363 1 19 GLN HE22 1 23 ASP H . . 5.360 4.618 3.771 5.403 0.043 8 0 "[ . 1 . 2]" 1
364 1 19 GLN HE22 1 107 MET ME . . 5.500 5.033 3.183 5.738 0.238 4 0 "[ . 1 . 2]" 1
365 1 19 GLN HG2 1 103 TYR QE . . 4.590 4.221 2.710 4.922 0.332 1 0 "[ . 1 . 2]" 1
366 1 19 GLN HG2 1 107 MET ME . . 5.420 2.831 1.862 3.785 . 0 0 "[ . 1 . 2]" 1
367 1 19 GLN HG3 1 103 TYR QD . . 4.450 4.134 2.778 4.619 0.169 13 0 "[ . 1 . 2]" 1
368 1 19 GLN HG3 1 103 TYR QE . . 4.870 3.330 2.301 4.267 . 0 0 "[ . 1 . 2]" 1
369 1 19 GLN HG3 1 107 MET ME . . 4.490 2.763 1.756 4.084 . 0 0 "[ . 1 . 2]" 1
370 1 20 ALA H 1 20 ALA MB . . 3.110 2.469 2.218 2.930 . 0 0 "[ . 1 . 2]" 1
371 1 20 ALA H 1 21 MET H . . 3.480 2.105 1.783 2.366 . 0 0 "[ . 1 . 2]" 1
372 1 20 ALA H 1 21 MET HA . . 4.530 4.689 4.303 4.983 0.453 9 0 "[ . 1 . 2]" 1
373 1 20 ALA H 1 21 MET HG2 . . 5.500 5.075 3.944 5.634 0.134 11 0 "[ . 1 . 2]" 1
374 1 20 ALA H 1 22 GLU H . . 5.040 3.518 2.492 4.210 . 0 0 "[ . 1 . 2]" 1
375 1 20 ALA H 1 23 ASP H . . 5.500 4.332 3.360 4.950 . 0 0 "[ . 1 . 2]" 1
376 1 20 ALA H 1 103 TYR QE . . 5.300 4.396 3.473 5.185 . 0 0 "[ . 1 . 2]" 1
377 1 20 ALA HA 1 21 MET HA . . 5.390 4.896 4.788 4.989 . 0 0 "[ . 1 . 2]" 1
378 1 20 ALA HA 1 22 GLU H . . 5.500 4.401 3.922 4.661 . 0 0 "[ . 1 . 2]" 1
379 1 20 ALA HA 1 23 ASP H . . 3.910 3.431 3.001 3.700 . 0 0 "[ . 1 . 2]" 1
380 1 20 ALA HA 1 23 ASP HB2 . . 3.590 2.760 2.039 3.706 0.116 16 0 "[ . 1 . 2]" 1
381 1 20 ALA HA 1 23 ASP HB3 . . 4.570 3.875 2.452 4.581 0.011 12 0 "[ . 1 . 2]" 1
382 1 20 ALA HA 1 24 ILE H . . 5.100 4.213 3.985 4.498 . 0 0 "[ . 1 . 2]" 1
383 1 20 ALA HA 1 24 ILE MD . . 5.500 4.597 4.274 5.026 . 0 0 "[ . 1 . 2]" 1
384 1 20 ALA HA 1 101 LEU QD . . 3.350 2.800 2.047 3.464 0.114 17 0 "[ . 1 . 2]" 1
385 1 20 ALA HA 1 103 TYR QE . . 4.170 3.519 2.660 4.247 0.077 13 0 "[ . 1 . 2]" 1
386 1 20 ALA MB 1 21 MET H . . 3.500 2.560 2.322 2.919 . 0 0 "[ . 1 . 2]" 1
387 1 20 ALA MB 1 23 ASP H . . 5.500 4.618 4.350 4.778 . 0 0 "[ . 1 . 2]" 1
388 1 20 ALA MB 1 23 ASP HB2 . . 5.500 4.166 3.397 5.134 . 0 0 "[ . 1 . 2]" 1
389 1 20 ALA MB 1 24 ILE H . . 5.480 4.633 4.455 4.785 . 0 0 "[ . 1 . 2]" 1
390 1 20 ALA MB 1 24 ILE MD . . 3.760 3.215 2.887 3.726 . 0 0 "[ . 1 . 2]" 1
391 1 20 ALA MB 1 101 LEU QB . . 2.860 2.301 2.033 2.979 0.119 3 0 "[ . 1 . 2]" 1
392 1 20 ALA MB 1 101 LEU HG . . 4.350 3.245 2.273 4.413 0.063 3 0 "[ . 1 . 2]" 1
393 1 20 ALA MB 1 103 TYR QE . . 3.580 3.162 2.671 3.729 0.149 3 0 "[ . 1 . 2]" 1
394 1 21 MET H 1 21 MET QB . . 3.320 2.465 1.866 2.644 . 0 0 "[ . 1 . 2]" 1
395 1 21 MET H 1 21 MET ME . . 4.150 4.117 3.865 4.457 0.307 17 0 "[ . 1 . 2]" 1
396 1 21 MET H 1 21 MET HG2 . . 3.460 3.208 2.747 3.804 0.344 11 0 "[ . 1 . 2]" 1
397 1 21 MET H 1 21 MET HG3 . . 3.890 2.483 2.098 4.314 0.424 11 0 "[ . 1 . 2]" 1
398 1 21 MET H 1 22 GLU QB . . 5.110 4.730 4.240 4.949 . 0 0 "[ . 1 . 2]" 1
399 1 21 MET H 1 23 ASP H . . 5.170 4.212 3.790 4.474 . 0 0 "[ . 1 . 2]" 1
400 1 21 MET H 1 88 ILE MD . . 4.980 3.597 3.152 4.246 . 0 0 "[ . 1 . 2]" 1
401 1 21 MET HA 1 21 MET HG2 . . 3.850 2.660 2.374 3.635 . 0 0 "[ . 1 . 2]" 1
402 1 21 MET HA 1 21 MET HG3 . . 3.720 3.273 2.800 3.984 0.264 12 0 "[ . 1 . 2]" 1
403 1 21 MET HA 1 23 ASP H . . 5.460 4.622 4.279 4.938 . 0 0 "[ . 1 . 2]" 1
404 1 21 MET HA 1 24 ILE H . . 4.310 3.770 3.325 4.017 . 0 0 "[ . 1 . 2]" 1
405 1 21 MET HA 1 24 ILE HB . . 3.910 3.085 2.664 3.404 . 0 0 "[ . 1 . 2]" 1
406 1 21 MET HA 1 24 ILE MD . . 4.150 2.077 1.693 2.656 . 0 0 "[ . 1 . 2]" 1
407 1 21 MET HA 1 24 ILE MG . . 4.360 4.173 3.859 4.467 0.107 20 0 "[ . 1 . 2]" 1
408 1 21 MET HA 1 25 GLU H . . 5.470 4.748 4.290 5.026 . 0 0 "[ . 1 . 2]" 1
409 1 21 MET HA 1 68 PHE QE . . 3.700 3.403 3.163 3.643 . 0 0 "[ . 1 . 2]" 1
410 1 21 MET HA 1 68 PHE HZ . . 3.620 3.026 2.616 3.722 0.102 11 0 "[ . 1 . 2]" 1
411 1 21 MET QB 1 21 MET ME . . 2.880 2.171 1.973 3.520 0.640 20 1 "[ . 1 . +]" 1
412 1 21 MET QB 1 22 GLU H . . 3.560 2.553 2.161 3.438 . 0 0 "[ . 1 . 2]" 1
413 1 21 MET QB 1 68 PHE QE . . 5.250 2.462 2.118 3.962 . 0 0 "[ . 1 . 2]" 1
414 1 21 MET QB 1 88 ILE MD . . 5.410 3.502 1.773 3.884 . 0 0 "[ . 1 . 2]" 1
415 1 21 MET ME 1 21 MET HG2 . . 3.940 3.223 2.586 3.435 . 0 0 "[ . 1 . 2]" 1
416 1 21 MET ME 1 21 MET HG3 . . 3.750 2.766 2.424 3.407 . 0 0 "[ . 1 . 2]" 1
417 1 21 MET ME 1 68 PHE QD . . 3.590 3.485 2.534 3.847 0.257 3 0 "[ . 1 . 2]" 1
418 1 21 MET ME 1 68 PHE QE . . 4.780 3.330 2.020 3.944 . 0 0 "[ . 1 . 2]" 1
419 1 21 MET ME 1 88 ILE MD . . 4.250 3.795 1.988 4.331 0.081 9 0 "[ . 1 . 2]" 1
420 1 21 MET HG2 1 88 ILE MD . . 4.080 2.227 1.765 4.386 0.306 11 0 "[ . 1 . 2]" 1
421 1 21 MET HG3 1 22 GLU H . . 5.410 4.216 3.651 4.522 . 0 0 "[ . 1 . 2]" 1
422 1 21 MET HG3 1 68 PHE QD . . 5.330 4.725 3.596 5.141 . 0 0 "[ . 1 . 2]" 1
423 1 21 MET HG3 1 68 PHE QE . . 5.500 4.388 2.376 4.898 . 0 0 "[ . 1 . 2]" 1
424 1 21 MET HG3 1 88 ILE MD . . 3.370 2.854 2.275 3.833 0.463 12 0 "[ . 1 . 2]" 1
425 1 22 GLU H 1 22 GLU QB . . 2.910 2.510 2.060 2.742 . 0 0 "[ . 1 . 2]" 1
426 1 22 GLU H 1 22 GLU HG2 . . 3.890 2.950 1.975 4.250 0.360 3 0 "[ . 1 . 2]" 1
427 1 22 GLU H 1 22 GLU HG3 . . 3.980 2.733 1.898 4.295 0.315 3 0 "[ . 1 . 2]" 1
428 1 22 GLU H 1 23 ASP H . . 3.320 2.681 2.512 2.845 . 0 0 "[ . 1 . 2]" 1
429 1 22 GLU H 1 23 ASP HB2 . . 5.500 4.846 4.426 5.294 . 0 0 "[ . 1 . 2]" 1
430 1 22 GLU H 1 24 ILE H . . 5.000 4.138 4.026 4.322 . 0 0 "[ . 1 . 2]" 1
431 1 22 GLU H 1 25 GLU H . . 5.500 5.021 4.912 5.169 . 0 0 "[ . 1 . 2]" 1
432 1 22 GLU HA 1 24 ILE H . . 4.380 4.396 4.185 4.480 0.100 16 0 "[ . 1 . 2]" 1
433 1 22 GLU HA 1 25 GLU H . . 3.980 3.675 3.352 3.858 . 0 0 "[ . 1 . 2]" 1
434 1 22 GLU HA 1 25 GLU HB2 . . 3.240 3.203 2.795 3.379 0.139 2 0 "[ . 1 . 2]" 1
435 1 22 GLU HA 1 25 GLU HG3 . . 4.440 3.820 3.207 4.359 . 0 0 "[ . 1 . 2]" 1
436 1 22 GLU QB 1 23 ASP H . . 3.390 2.357 2.170 2.566 . 0 0 "[ . 1 . 2]" 1
437 1 22 GLU QB 1 23 ASP HB2 . . 4.800 4.382 3.857 4.862 0.062 10 0 "[ . 1 . 2]" 1
438 1 22 GLU QB 1 26 ILE MD . . 5.100 2.752 2.216 3.838 . 0 0 "[ . 1 . 2]" 1
439 1 22 GLU HG3 1 23 ASP H . . 4.970 4.304 3.911 4.760 . 0 0 "[ . 1 . 2]" 1
440 1 23 ASP H 1 23 ASP HB2 . . 3.380 2.488 2.231 2.683 . 0 0 "[ . 1 . 2]" 1
441 1 23 ASP H 1 23 ASP HB3 . . 3.880 3.385 2.375 3.622 . 0 0 "[ . 1 . 2]" 1
442 1 23 ASP H 1 24 ILE H . . 3.600 2.700 2.552 2.893 . 0 0 "[ . 1 . 2]" 1
443 1 23 ASP H 1 24 ILE HB . . 5.080 4.747 4.555 4.941 . 0 0 "[ . 1 . 2]" 1
444 1 23 ASP H 1 25 GLU H . . 4.880 4.274 4.087 4.515 . 0 0 "[ . 1 . 2]" 1
445 1 23 ASP H 1 26 ILE MD . . 5.500 4.007 3.542 5.083 . 0 0 "[ . 1 . 2]" 1
446 1 23 ASP H 1 101 LEU QD . . 5.260 4.355 3.758 5.036 . 0 0 "[ . 1 . 2]" 1
447 1 23 ASP HA 1 26 ILE HB . . 3.850 2.926 2.174 3.896 0.046 10 0 "[ . 1 . 2]" 1
448 1 23 ASP HA 1 26 ILE MD . . 3.520 2.657 1.842 3.838 0.318 8 0 "[ . 1 . 2]" 1
449 1 23 ASP HA 1 26 ILE QG . . 4.920 3.290 2.035 4.340 . 0 0 "[ . 1 . 2]" 1
450 1 23 ASP HB2 1 24 ILE H . . 4.240 3.080 2.536 3.956 . 0 0 "[ . 1 . 2]" 1
451 1 23 ASP HB2 1 101 LEU QD . . 3.700 2.700 1.852 3.709 0.009 20 0 "[ . 1 . 2]" 1
452 1 23 ASP HB2 1 109 LEU MD1 . . 4.170 3.482 2.882 4.196 0.026 8 0 "[ . 1 . 2]" 1
453 1 23 ASP HB3 1 24 ILE H . . 5.120 3.607 2.592 3.980 . 0 0 "[ . 1 . 2]" 1
454 1 23 ASP HB3 1 101 LEU QD . . 4.190 2.798 2.183 3.481 . 0 0 "[ . 1 . 2]" 1
455 1 23 ASP HB3 1 109 LEU MD1 . . 4.990 3.192 2.206 4.308 . 0 0 "[ . 1 . 2]" 1
456 1 23 ASP HB3 1 109 LEU MD2 . . 4.390 4.002 2.503 4.641 0.251 1 0 "[ . 1 . 2]" 1
457 1 24 ILE H 1 24 ILE HB . . 3.210 2.412 2.321 2.542 . 0 0 "[ . 1 . 2]" 1
458 1 24 ILE H 1 24 ILE MD . . 4.120 3.534 3.446 3.673 . 0 0 "[ . 1 . 2]" 1
459 1 24 ILE H 1 24 ILE HG12 . . 4.340 3.575 3.456 3.670 . 0 0 "[ . 1 . 2]" 1
460 1 24 ILE H 1 24 ILE HG13 . . 3.680 2.256 2.099 2.353 . 0 0 "[ . 1 . 2]" 1
461 1 24 ILE H 1 24 ILE MG . . 4.130 3.778 3.729 3.811 . 0 0 "[ . 1 . 2]" 1
462 1 24 ILE H 1 25 GLU H . . 3.590 2.680 2.580 2.842 . 0 0 "[ . 1 . 2]" 1
463 1 24 ILE H 1 25 GLU HG3 . . 4.890 4.358 4.164 4.650 . 0 0 "[ . 1 . 2]" 1
464 1 24 ILE H 1 101 LEU QD . . 5.360 3.698 3.140 4.564 . 0 0 "[ . 1 . 2]" 1
465 1 24 ILE HA 1 24 ILE MD . . 4.260 3.887 3.858 3.938 . 0 0 "[ . 1 . 2]" 1
466 1 24 ILE HA 1 24 ILE HG12 . . 4.090 2.591 2.514 2.698 . 0 0 "[ . 1 . 2]" 1
467 1 24 ILE HA 1 24 ILE HG13 . . 3.940 2.896 2.826 3.009 . 0 0 "[ . 1 . 2]" 1
468 1 24 ILE HA 1 24 ILE MG . . 3.450 2.590 2.490 2.661 . 0 0 "[ . 1 . 2]" 1
469 1 24 ILE HA 1 99 TYR QE . . 4.390 3.908 2.769 4.377 . 0 0 "[ . 1 . 2]" 1
470 1 24 ILE HA 1 101 LEU QD . . 5.440 3.622 3.170 4.393 . 0 0 "[ . 1 . 2]" 1
471 1 24 ILE HA 1 112 PHE QE . . 3.690 3.114 2.012 3.859 0.169 9 0 "[ . 1 . 2]" 1
472 1 24 ILE HB 1 25 GLU H . . 3.830 2.544 2.397 2.754 . 0 0 "[ . 1 . 2]" 1
473 1 24 ILE HB 1 68 PHE QE . . 3.680 3.307 2.666 3.679 . 0 0 "[ . 1 . 2]" 1
474 1 24 ILE HB 1 68 PHE HZ . . 3.620 3.105 2.547 3.591 . 0 0 "[ . 1 . 2]" 1
475 1 24 ILE MD 1 25 GLU H . . 5.500 4.558 4.377 4.770 . 0 0 "[ . 1 . 2]" 1
476 1 24 ILE MD 1 68 PHE QE . . 3.720 2.145 1.981 2.309 . 0 0 "[ . 1 . 2]" 1
477 1 24 ILE MD 1 68 PHE HZ . . 3.880 3.229 2.930 3.649 . 0 0 "[ . 1 . 2]" 1
478 1 24 ILE MD 1 88 ILE MG . . 3.190 1.893 1.648 2.194 . 0 0 "[ . 1 . 2]" 1
479 1 24 ILE MD 1 99 TYR H . . 4.910 4.002 3.624 4.299 . 0 0 "[ . 1 . 2]" 1
480 1 24 ILE MD 1 99 TYR HA . . 5.190 4.924 4.722 5.255 0.065 10 0 "[ . 1 . 2]" 1
481 1 24 ILE MD 1 99 TYR HB2 . . 3.840 2.423 2.116 2.698 . 0 0 "[ . 1 . 2]" 1
482 1 24 ILE MD 1 99 TYR HB3 . . 4.110 3.154 2.692 3.722 . 0 0 "[ . 1 . 2]" 1
483 1 24 ILE MD 1 99 TYR QD . . 3.770 2.759 2.234 3.420 . 0 0 "[ . 1 . 2]" 1
484 1 24 ILE MD 1 99 TYR QE . . 4.790 3.785 3.138 4.466 . 0 0 "[ . 1 . 2]" 1
485 1 24 ILE HG12 1 99 TYR QE . . 5.380 3.711 3.331 4.134 . 0 0 "[ . 1 . 2]" 1
486 1 24 ILE HG12 1 101 LEU QD . . 3.750 2.817 2.270 3.544 . 0 0 "[ . 1 . 2]" 1
487 1 24 ILE HG12 1 112 PHE QE . . 4.470 3.744 3.054 4.616 0.146 15 0 "[ . 1 . 2]" 1
488 1 24 ILE HG13 1 112 PHE QE . . 5.340 4.430 3.616 5.194 . 0 0 "[ . 1 . 2]" 1
489 1 24 ILE MG 1 25 GLU H . . 4.350 3.237 3.007 3.438 . 0 0 "[ . 1 . 2]" 1
490 1 24 ILE MG 1 25 GLU HA . . 4.300 3.199 2.978 3.429 . 0 0 "[ . 1 . 2]" 1
491 1 24 ILE MG 1 25 GLU HG3 . . 5.450 3.326 2.813 3.881 . 0 0 "[ . 1 . 2]" 1
492 1 24 ILE MG 1 28 GLN QB . . 5.500 4.175 3.577 4.591 . 0 0 "[ . 1 . 2]" 1
493 1 24 ILE MG 1 28 GLN HE21 . . 5.500 3.551 1.771 4.955 . 0 0 "[ . 1 . 2]" 1
494 1 24 ILE MG 1 28 GLN HG2 . . 4.230 3.726 3.211 4.397 0.167 10 0 "[ . 1 . 2]" 1
495 1 24 ILE MG 1 68 PHE QE . . 3.620 2.169 1.735 2.820 . 0 0 "[ . 1 . 2]" 1
496 1 24 ILE MG 1 90 VAL QG . . 3.430 2.237 1.853 2.869 . 0 0 "[ . 1 . 2]" 1
497 1 24 ILE MG 1 99 TYR QE . . 3.360 2.643 2.169 3.097 . 0 0 "[ . 1 . 2]" 1
498 1 25 GLU H 1 25 GLU HB2 . . 3.440 2.476 2.398 2.557 . 0 0 "[ . 1 . 2]" 1
499 1 25 GLU H 1 25 GLU HB3 . . 3.670 3.607 3.586 3.629 . 0 0 "[ . 1 . 2]" 1
500 1 25 GLU H 1 25 GLU HG2 . . 4.060 3.528 3.394 3.677 . 0 0 "[ . 1 . 2]" 1
501 1 25 GLU H 1 25 GLU HG3 . . 3.570 2.306 2.154 2.490 . 0 0 "[ . 1 . 2]" 1
502 1 25 GLU H 1 26 ILE H . . 3.700 2.579 2.486 2.715 . 0 0 "[ . 1 . 2]" 1
503 1 25 GLU HA 1 25 GLU HG2 . . 3.530 2.594 2.454 2.706 . 0 0 "[ . 1 . 2]" 1
504 1 25 GLU HA 1 25 GLU HG3 . . 3.790 3.057 2.953 3.228 . 0 0 "[ . 1 . 2]" 1
505 1 25 GLU HA 1 26 ILE MD . . 5.500 5.737 4.861 6.205 0.705 6 2 "[- .+ 1 . 2]" 1
506 1 25 GLU HA 1 26 ILE QG . . 5.320 4.872 4.522 5.301 . 0 0 "[ . 1 . 2]" 1
507 1 25 GLU HA 1 27 ALA H . . 3.850 3.972 3.427 4.078 0.228 16 0 "[ . 1 . 2]" 1
508 1 25 GLU HA 1 28 GLN H . . 5.500 3.283 2.867 3.615 . 0 0 "[ . 1 . 2]" 1
509 1 25 GLU HA 1 28 GLN HE21 . . 4.060 2.677 1.827 4.113 0.053 6 0 "[ . 1 . 2]" 1
510 1 25 GLU HA 1 28 GLN HE22 . . 4.320 3.241 2.156 4.219 . 0 0 "[ . 1 . 2]" 1
511 1 25 GLU HA 1 29 SER H . . 5.230 4.288 3.855 5.016 . 0 0 "[ . 1 . 2]" 1
512 1 25 GLU HB2 1 26 ILE H . . 3.880 2.949 2.603 3.562 . 0 0 "[ . 1 . 2]" 1
513 1 25 GLU HB3 1 25 GLU HG2 . . 2.400 2.445 2.403 2.485 0.085 19 0 "[ . 1 . 2]" 1
514 1 25 GLU HG2 1 26 ILE H . . 5.500 5.133 5.022 5.308 . 0 0 "[ . 1 . 2]" 1
515 1 25 GLU HG2 1 68 PHE HZ . . 4.440 3.788 3.259 4.550 0.110 8 0 "[ . 1 . 2]" 1
516 1 25 GLU HG3 1 68 PHE QE . . 4.390 4.026 3.452 4.538 0.148 8 0 "[ . 1 . 2]" 1
517 1 25 GLU HG3 1 68 PHE HZ . . 3.470 2.877 2.240 3.504 0.034 8 0 "[ . 1 . 2]" 1
518 1 26 ILE H 1 26 ILE HB . . 3.230 2.598 2.424 2.986 . 0 0 "[ . 1 . 2]" 1
519 1 26 ILE H 1 26 ILE MD . . 3.990 3.159 2.661 3.520 . 0 0 "[ . 1 . 2]" 1
520 1 26 ILE H 1 26 ILE QG . . 4.020 2.069 1.879 2.275 . 0 0 "[ . 1 . 2]" 1
521 1 26 ILE H 1 26 ILE MG . . 4.050 3.808 3.759 3.894 . 0 0 "[ . 1 . 2]" 1
522 1 26 ILE HA 1 26 ILE QG . . 3.720 2.708 2.473 3.292 . 0 0 "[ . 1 . 2]" 1
523 1 26 ILE HA 1 29 SER H . . 4.270 3.555 3.173 4.022 . 0 0 "[ . 1 . 2]" 1
524 1 26 ILE HA 1 29 SER QB . . 4.110 2.901 2.325 3.796 . 0 0 "[ . 1 . 2]" 1
525 1 26 ILE HB 1 26 ILE MD . . 3.420 2.593 2.317 3.292 . 0 0 "[ . 1 . 2]" 1
526 1 26 ILE HB 1 35 TRP HE1 . . 3.900 3.703 3.362 4.030 0.130 17 0 "[ . 1 . 2]" 1
527 1 26 ILE MG 1 29 SER H . . 5.360 4.892 4.638 5.403 0.043 9 0 "[ . 1 . 2]" 1
528 1 26 ILE MG 1 34 SER H . . 5.500 4.817 4.486 5.148 . 0 0 "[ . 1 . 2]" 1
529 1 26 ILE MG 1 34 SER HA . . 5.280 4.803 4.332 5.341 0.061 19 0 "[ . 1 . 2]" 1
530 1 26 ILE MG 1 34 SER QB . . 3.120 2.994 2.488 3.337 0.217 10 0 "[ . 1 . 2]" 1
531 1 26 ILE MG 1 35 TRP H . . 4.370 3.501 2.922 3.918 . 0 0 "[ . 1 . 2]" 1
532 1 26 ILE MG 1 35 TRP HB2 . . 4.190 2.115 1.923 2.363 . 0 0 "[ . 1 . 2]" 1
533 1 26 ILE MG 1 35 TRP HB3 . . 4.360 3.613 3.377 3.861 . 0 0 "[ . 1 . 2]" 1
534 1 26 ILE MG 1 35 TRP HD1 . . 3.810 2.518 2.105 2.916 . 0 0 "[ . 1 . 2]" 1
535 1 26 ILE MG 1 35 TRP HE1 . . 4.820 4.456 4.203 4.787 . 0 0 "[ . 1 . 2]" 1
536 1 28 GLN H 1 28 GLN HE21 . . 5.500 4.078 3.157 4.969 . 0 0 "[ . 1 . 2]" 1
537 1 28 GLN H 1 28 GLN HG2 . . 5.500 3.438 2.262 4.061 . 0 0 "[ . 1 . 2]" 1
538 1 28 GLN H 1 28 GLN HG3 . . 5.500 2.458 2.028 3.597 . 0 0 "[ . 1 . 2]" 1
539 1 28 GLN H 1 29 SER H . . 3.710 2.642 2.485 2.799 . 0 0 "[ . 1 . 2]" 1
540 1 28 GLN QB 1 28 GLN HE21 . . 3.380 2.361 1.754 3.661 0.281 9 0 "[ . 1 . 2]" 1
541 1 28 GLN QB 1 28 GLN HE22 . . 3.990 3.468 3.224 4.173 0.183 9 0 "[ . 1 . 2]" 1
542 1 28 GLN QB 1 29 SER H . . 4.150 2.887 2.422 3.957 . 0 0 "[ . 1 . 2]" 1
543 1 28 GLN QB 1 30 LYS H . . 5.100 4.498 4.340 4.777 . 0 0 "[ . 1 . 2]" 1
544 1 28 GLN QB 1 59 LEU MD1 . . 4.480 3.666 1.898 4.596 0.116 6 0 "[ . 1 . 2]" 1
545 1 28 GLN QB 1 59 LEU MD2 . . 3.970 2.686 1.836 3.343 . 0 0 "[ . 1 . 2]" 1
546 1 28 GLN HE21 1 59 LEU MD1 . . 5.500 5.018 4.260 5.608 0.108 4 0 "[ . 1 . 2]" 1
547 1 28 GLN HE21 1 65 PHE HB3 . . 5.500 4.044 2.643 5.229 . 0 0 "[ . 1 . 2]" 1
548 1 28 GLN HE21 1 65 PHE QD . . 5.090 4.559 2.524 5.181 0.091 7 0 "[ . 1 . 2]" 1
549 1 28 GLN HE22 1 65 PHE HB2 . . 4.980 3.126 1.748 5.134 0.154 15 0 "[ . 1 . 2]" 1
550 1 28 GLN HE22 1 65 PHE HB3 . . 4.750 2.912 1.817 4.783 0.033 10 0 "[ . 1 . 2]" 1
551 1 28 GLN HE22 1 65 PHE QD . . 5.500 3.362 2.069 4.848 . 0 0 "[ . 1 . 2]" 1
552 1 28 GLN HG2 1 29 SER H . . 5.500 4.871 2.652 5.310 . 0 0 "[ . 1 . 2]" 1
553 1 28 GLN HG2 1 59 LEU MD1 . . 4.390 2.907 2.205 4.455 0.065 14 0 "[ . 1 . 2]" 1
554 1 28 GLN HG2 1 59 LEU MD2 . . 4.210 2.821 1.797 4.414 0.204 14 0 "[ . 1 . 2]" 1
555 1 28 GLN HG3 1 29 SER H . . 5.500 4.247 2.923 5.087 . 0 0 "[ . 1 . 2]" 1
556 1 28 GLN HG3 1 59 LEU MD1 . . 4.150 3.874 2.374 4.265 0.115 19 0 "[ . 1 . 2]" 1
557 1 28 GLN HG3 1 59 LEU MD2 . . 4.130 3.717 2.504 4.378 0.248 15 0 "[ . 1 . 2]" 1
558 1 29 SER H 1 29 SER QB . . 3.110 2.449 2.239 2.811 . 0 0 "[ . 1 . 2]" 1
559 1 29 SER H 1 30 LYS H . . 3.550 2.635 2.421 2.914 . 0 0 "[ . 1 . 2]" 1
560 1 29 SER H 1 31 ASP H . . 4.790 4.164 3.800 4.452 . 0 0 "[ . 1 . 2]" 1
561 1 30 LYS H 1 30 LYS QE . . 5.500 4.983 4.143 5.901 0.401 19 0 "[ . 1 . 2]" 1
562 1 30 LYS H 1 30 LYS QG . . 4.420 3.541 2.786 4.204 . 0 0 "[ . 1 . 2]" 1
563 1 30 LYS H 1 31 ASP H . . 3.710 2.872 2.543 3.138 . 0 0 "[ . 1 . 2]" 1
564 1 30 LYS H 1 32 TYR QE . . 5.500 5.609 5.224 5.784 0.284 6 0 "[ . 1 . 2]" 1
565 1 30 LYS H 1 56 LEU MD1 . . 5.500 4.811 4.197 5.354 . 0 0 "[ . 1 . 2]" 1
566 1 30 LYS H 1 56 LEU MD2 . . 5.300 3.749 3.236 4.569 . 0 0 "[ . 1 . 2]" 1
567 1 30 LYS HA 1 30 LYS QG . . 3.840 2.996 2.329 3.541 . 0 0 "[ . 1 . 2]" 1
568 1 30 LYS HA 1 32 TYR H . . 5.500 5.655 5.436 5.790 0.290 15 0 "[ . 1 . 2]" 1
569 1 30 LYS HA 1 32 TYR QE . . 3.670 3.584 3.054 3.850 0.180 11 0 "[ . 1 . 2]" 1
570 1 30 LYS HA 1 56 LEU MD1 . . 4.040 3.982 3.562 4.198 0.158 8 0 "[ . 1 . 2]" 1
571 1 30 LYS HB2 1 30 LYS QE . . 4.980 3.166 1.927 4.337 . 0 0 "[ . 1 . 2]" 1
572 1 30 LYS HB2 1 31 ASP H . . 5.340 4.464 4.278 4.660 . 0 0 "[ . 1 . 2]" 1
573 1 30 LYS HB2 1 56 LEU MD1 . . 5.290 3.361 2.499 5.254 . 0 0 "[ . 1 . 2]" 1
574 1 30 LYS HB3 1 30 LYS QE . . 4.730 3.144 1.974 4.524 . 0 0 "[ . 1 . 2]" 1
575 1 30 LYS HB3 1 31 ASP H . . 5.020 4.522 4.338 4.681 . 0 0 "[ . 1 . 2]" 1
576 1 30 LYS HB3 1 56 LEU MD1 . . 4.500 3.196 1.924 4.573 0.073 14 0 "[ . 1 . 2]" 1
577 1 30 LYS HB3 1 56 LEU MD2 . . 4.980 3.650 2.142 5.096 0.116 6 0 "[ . 1 . 2]" 1
578 1 31 ASP H 1 31 ASP HB2 . . 3.490 2.451 2.378 2.533 . 0 0 "[ . 1 . 2]" 1
579 1 31 ASP H 1 31 ASP HB3 . . 3.660 3.657 3.613 3.711 0.051 9 0 "[ . 1 . 2]" 1
580 1 31 ASP H 1 32 TYR QE . . 4.800 4.900 4.731 5.085 0.285 18 0 "[ . 1 . 2]" 1
581 1 31 ASP HA 1 32 TYR H . . 3.090 2.141 2.090 2.225 . 0 0 "[ . 1 . 2]" 1
582 1 31 ASP HA 1 32 TYR HA . . 4.570 4.408 4.342 4.451 . 0 0 "[ . 1 . 2]" 1
583 1 31 ASP HA 1 32 TYR QE . . 4.600 4.504 4.270 4.697 0.097 10 0 "[ . 1 . 2]" 1
584 1 31 ASP HA 1 33 GLU H . . 4.690 4.520 4.281 4.730 0.040 9 0 "[ . 1 . 2]" 1
585 1 31 ASP HA 1 34 SER H . . 5.500 4.327 4.018 4.659 . 0 0 "[ . 1 . 2]" 1
586 1 31 ASP HB2 1 32 TYR H . . 5.300 4.163 3.984 4.390 . 0 0 "[ . 1 . 2]" 1
587 1 31 ASP HB2 1 34 SER H . . 4.660 4.646 4.409 4.784 0.124 9 0 "[ . 1 . 2]" 1
588 1 31 ASP HB2 1 34 SER QB . . 3.830 3.181 2.973 3.360 . 0 0 "[ . 1 . 2]" 1
589 1 31 ASP HB2 1 35 TRP HB2 . . 2.400 2.313 2.080 2.480 0.080 9 0 "[ . 1 . 2]" 1
590 1 31 ASP HB2 1 35 TRP HD1 . . 5.430 4.599 4.109 5.159 . 0 0 "[ . 1 . 2]" 1
591 1 31 ASP HB3 1 32 TYR H . . 5.290 3.158 2.882 3.579 . 0 0 "[ . 1 . 2]" 1
592 1 31 ASP HB3 1 34 SER QB . . 4.350 1.819 1.633 2.104 . 0 0 "[ . 1 . 2]" 1
593 1 32 TYR H 1 32 TYR HB2 . . 3.440 2.852 2.706 3.112 . 0 0 "[ . 1 . 2]" 1
594 1 32 TYR H 1 32 TYR HB3 . . 3.750 3.720 3.671 3.779 0.029 10 0 "[ . 1 . 2]" 1
595 1 32 TYR H 1 32 TYR QD . . 3.580 3.163 2.966 3.292 . 0 0 "[ . 1 . 2]" 1
596 1 32 TYR H 1 32 TYR QE . . 4.500 4.372 4.129 4.525 0.025 16 0 "[ . 1 . 2]" 1
597 1 32 TYR H 1 33 GLU H . . 3.760 2.522 2.277 2.747 . 0 0 "[ . 1 . 2]" 1
598 1 32 TYR H 1 33 GLU QB . . 5.500 4.643 4.300 5.081 . 0 0 "[ . 1 . 2]" 1
599 1 32 TYR H 1 34 SER H . . 4.520 3.253 2.997 3.532 . 0 0 "[ . 1 . 2]" 1
600 1 32 TYR HA 1 32 TYR HB3 . . 2.700 2.370 2.327 2.396 . 0 0 "[ . 1 . 2]" 1
601 1 32 TYR HA 1 32 TYR QD . . 3.880 2.518 2.344 2.923 . 0 0 "[ . 1 . 2]" 1
602 1 32 TYR HA 1 32 TYR QE . . 4.870 4.757 4.628 5.002 0.132 2 0 "[ . 1 . 2]" 1
603 1 32 TYR HA 1 35 TRP H . . 4.660 4.122 3.829 4.353 . 0 0 "[ . 1 . 2]" 1
604 1 32 TYR HA 1 35 TRP HB2 . . 4.620 4.430 4.074 4.809 0.189 9 0 "[ . 1 . 2]" 1
605 1 32 TYR HA 1 35 TRP HB3 . . 4.710 3.383 2.961 3.976 . 0 0 "[ . 1 . 2]" 1
606 1 32 TYR HB2 1 33 GLU H . . 3.630 2.020 1.834 2.241 . 0 0 "[ . 1 . 2]" 1
607 1 32 TYR HB3 1 33 GLU H . . 4.350 3.457 3.310 3.650 . 0 0 "[ . 1 . 2]" 1
608 1 32 TYR HB3 1 52 TYR QE . . 5.500 4.009 2.223 5.137 . 0 0 "[ . 1 . 2]" 1
609 1 32 TYR QD 1 33 GLU H . . 3.670 3.613 2.924 3.911 0.241 8 0 "[ . 1 . 2]" 1
610 1 32 TYR QD 1 33 GLU QB . . 5.500 4.919 4.118 5.424 . 0 0 "[ . 1 . 2]" 1
611 1 32 TYR QD 1 33 GLU QG . . 4.110 3.876 2.932 4.284 0.174 18 0 "[ . 1 . 2]" 1
612 1 33 GLU H 1 33 GLU QB . . 2.990 2.518 2.391 2.814 . 0 0 "[ . 1 . 2]" 1
613 1 33 GLU H 1 33 GLU QG . . 3.390 2.276 1.886 3.030 . 0 0 "[ . 1 . 2]" 1
614 1 33 GLU H 1 34 SER H . . 3.340 2.604 2.302 2.907 . 0 0 "[ . 1 . 2]" 1
615 1 33 GLU H 1 34 SER HA . . 5.500 5.215 4.979 5.372 . 0 0 "[ . 1 . 2]" 1
616 1 33 GLU H 1 34 SER QB . . 4.960 4.669 4.186 4.884 . 0 0 "[ . 1 . 2]" 1
617 1 33 GLU H 1 35 TRP H . . 4.950 4.056 3.757 4.398 . 0 0 "[ . 1 . 2]" 1
618 1 33 GLU H 1 36 LYS QB . . 5.500 4.594 4.005 5.361 . 0 0 "[ . 1 . 2]" 1
619 1 33 GLU H 1 36 LYS QG . . 5.500 4.736 3.774 5.472 . 0 0 "[ . 1 . 2]" 1
620 1 33 GLU HA 1 33 GLU QG . . 3.790 2.876 2.389 3.384 . 0 0 "[ . 1 . 2]" 1
621 1 33 GLU HA 1 36 LYS H . . 4.030 3.302 2.801 3.767 . 0 0 "[ . 1 . 2]" 1
622 1 33 GLU HA 1 36 LYS QB . . 3.330 2.321 1.739 3.106 . 0 0 "[ . 1 . 2]" 1
623 1 33 GLU HA 1 36 LYS HD2 . . 4.450 3.562 2.054 4.797 0.347 18 0 "[ . 1 . 2]" 1
624 1 33 GLU HA 1 36 LYS HD3 . . 5.110 3.227 1.849 5.117 0.007 18 0 "[ . 1 . 2]" 1
625 1 33 GLU HA 1 36 LYS QE . . 4.250 3.588 2.031 4.451 0.201 20 0 "[ . 1 . 2]" 1
626 1 33 GLU HA 1 36 LYS QG . . 3.820 2.675 1.570 3.699 . 0 0 "[ . 1 . 2]" 1
627 1 33 GLU HA 1 37 SER H . . 4.880 4.468 3.818 5.015 0.135 2 0 "[ . 1 . 2]" 1
628 1 33 GLU QB 1 34 SER H . . 3.580 3.214 2.533 3.978 0.398 3 0 "[ . 1 . 2]" 1
629 1 33 GLU QB 1 35 TRP H . . 5.500 4.896 4.460 5.397 . 0 0 "[ . 1 . 2]" 1
630 1 33 GLU QB 1 36 LYS H . . 5.500 4.886 4.520 5.281 . 0 0 "[ . 1 . 2]" 1
631 1 33 GLU QG 1 34 SER H . . 5.500 3.760 2.138 4.520 . 0 0 "[ . 1 . 2]" 1
632 1 33 GLU QG 1 36 LYS QB . . 5.500 4.463 3.653 5.119 . 0 0 "[ . 1 . 2]" 1
633 1 34 SER H 1 34 SER QB . . 3.240 2.537 2.261 2.694 . 0 0 "[ . 1 . 2]" 1
634 1 34 SER H 1 36 LYS QB . . 5.500 4.445 3.868 4.974 . 0 0 "[ . 1 . 2]" 1
635 1 34 SER QB 1 35 TRP H . . 3.570 2.749 2.270 3.024 . 0 0 "[ . 1 . 2]" 1
636 1 35 TRP H 1 35 TRP HB2 . . 3.340 2.551 2.333 2.785 . 0 0 "[ . 1 . 2]" 1
637 1 35 TRP H 1 35 TRP HB3 . . 3.420 2.497 2.205 2.702 . 0 0 "[ . 1 . 2]" 1
638 1 35 TRP H 1 35 TRP HD1 . . 5.500 4.907 4.711 5.132 . 0 0 "[ . 1 . 2]" 1
639 1 35 TRP H 1 36 LYS H . . 3.550 2.317 2.087 2.542 . 0 0 "[ . 1 . 2]" 1
640 1 35 TRP H 1 36 LYS QB . . 5.350 4.068 3.363 4.640 . 0 0 "[ . 1 . 2]" 1
641 1 35 TRP HB2 1 36 LYS H . . 4.180 3.899 3.581 4.134 . 0 0 "[ . 1 . 2]" 1
642 1 35 TRP HB3 1 36 LYS H . . 4.320 2.791 2.295 3.281 . 0 0 "[ . 1 . 2]" 1
643 1 35 TRP HE3 1 36 LYS HA . . 4.860 4.828 4.074 5.204 0.344 19 0 "[ . 1 . 2]" 1
644 1 35 TRP HE3 1 47 LEU QD . . 4.700 3.046 2.175 4.278 . 0 0 "[ . 1 . 2]" 1
645 1 36 LYS H 1 36 LYS QB . . 3.550 2.276 1.988 2.552 . 0 0 "[ . 1 . 2]" 1
646 1 36 LYS H 1 36 LYS QG . . 4.590 2.799 1.970 3.943 . 0 0 "[ . 1 . 2]" 1
647 1 36 LYS H 1 37 SER H . . 3.840 2.744 2.580 2.936 . 0 0 "[ . 1 . 2]" 1
648 1 36 LYS H 1 38 ARG H . . 5.440 4.276 4.079 4.620 . 0 0 "[ . 1 . 2]" 1
649 1 36 LYS HA 1 36 LYS HD2 . . 5.210 4.581 2.352 5.523 0.313 10 0 "[ . 1 . 2]" 1
650 1 36 LYS HA 1 39 PHE H . . 4.940 3.346 2.886 3.921 . 0 0 "[ . 1 . 2]" 1
651 1 36 LYS HA 1 39 PHE QD . . 2.780 2.454 1.612 3.030 0.250 17 0 "[ . 1 . 2]" 1
652 1 36 LYS HA 1 39 PHE QE . . 4.460 4.176 3.715 4.603 0.143 12 0 "[ . 1 . 2]" 1
653 1 36 LYS HA 1 47 LEU QD . . 3.890 2.445 1.953 3.098 . 0 0 "[ . 1 . 2]" 1
654 1 36 LYS QB 1 36 LYS QE . . 4.520 2.727 1.962 3.851 . 0 0 "[ . 1 . 2]" 1
655 1 36 LYS QB 1 37 SER H . . 3.930 2.848 2.377 3.564 . 0 0 "[ . 1 . 2]" 1
656 1 36 LYS QB 1 44 GLN HE21 . . 5.500 4.350 3.078 5.467 . 0 0 "[ . 1 . 2]" 1
657 1 36 LYS QB 1 44 GLN HG2 . . 4.250 2.488 1.735 4.236 . 0 0 "[ . 1 . 2]" 1
658 1 36 LYS HD2 1 44 GLN HB3 . . 4.140 3.985 2.361 4.313 0.173 8 0 "[ . 1 . 2]" 1
659 1 36 LYS QE 1 36 LYS QG . . 3.480 2.456 2.186 2.827 . 0 0 "[ . 1 . 2]" 1
660 1 36 LYS QE 1 44 GLN HB2 . . 3.880 3.651 3.303 4.260 0.380 18 0 "[ . 1 . 2]" 1
661 1 36 LYS QE 1 45 SER HA . . 5.120 4.585 3.338 5.316 0.196 5 0 "[ . 1 . 2]" 1
662 1 36 LYS QG 1 37 SER H . . 5.250 3.775 1.881 4.454 . 0 0 "[ . 1 . 2]" 1
663 1 36 LYS QG 1 39 PHE QD . . 5.500 4.614 3.777 5.055 . 0 0 "[ . 1 . 2]" 1
664 1 36 LYS QG 1 47 LEU QD . . 4.450 2.418 1.614 4.108 . 0 0 "[ . 1 . 2]" 1
665 1 37 SER H 1 37 SER HB2 . . 3.280 2.650 2.445 3.522 0.242 13 0 "[ . 1 . 2]" 1
666 1 37 SER H 1 37 SER HB3 . . 3.720 3.214 2.516 3.619 . 0 0 "[ . 1 . 2]" 1
667 1 37 SER HA 1 44 GLN HE21 . . 3.540 3.212 2.500 3.744 0.204 14 0 "[ . 1 . 2]" 1
668 1 37 SER HB2 1 38 ARG H . . 4.120 3.408 2.653 4.188 0.068 12 0 "[ . 1 . 2]" 1
669 1 38 ARG H 1 38 ARG HG2 . . 4.520 3.417 2.243 4.698 0.178 9 0 "[ . 1 . 2]" 1
670 1 38 ARG H 1 39 PHE QD . . 4.450 3.757 3.049 4.594 0.144 19 0 "[ . 1 . 2]" 1
671 1 38 ARG HA 1 38 ARG HD2 . . 3.380 2.798 1.908 3.567 0.187 14 0 "[ . 1 . 2]" 1
672 1 38 ARG HA 1 38 ARG HD3 . . 3.860 2.988 1.815 4.082 0.222 20 0 "[ . 1 . 2]" 1
673 1 38 ARG HB2 1 38 ARG HD3 . . 3.800 3.414 2.486 4.219 0.419 15 0 "[ . 1 . 2]" 1
674 1 38 ARG HB3 1 39 PHE H . . 5.500 3.490 2.408 4.172 . 0 0 "[ . 1 . 2]" 1
675 1 38 ARG HB3 1 109 LEU H . . 5.500 3.908 3.165 4.804 . 0 0 "[ . 1 . 2]" 1
676 1 38 ARG HB3 1 109 LEU MD2 . . 4.780 3.607 1.768 5.060 0.280 15 0 "[ . 1 . 2]" 1
677 1 39 PHE H 1 39 PHE HB2 . . 3.470 2.379 2.288 2.464 . 0 0 "[ . 1 . 2]" 1
678 1 39 PHE H 1 39 PHE HB3 . . 3.800 3.596 3.572 3.620 . 0 0 "[ . 1 . 2]" 1
679 1 39 PHE H 1 39 PHE QD . . 3.540 2.399 1.967 3.131 . 0 0 "[ . 1 . 2]" 1
680 1 39 PHE H 1 40 THR H . . 4.560 4.608 4.558 4.678 0.118 5 0 "[ . 1 . 2]" 1
681 1 39 PHE H 1 44 GLN HE21 . . 5.500 4.202 3.481 5.610 0.110 18 0 "[ . 1 . 2]" 1
682 1 39 PHE H 1 44 GLN HG2 . . 5.190 4.293 3.358 4.780 . 0 0 "[ . 1 . 2]" 1
683 1 39 PHE H 1 109 LEU H . . 5.490 4.239 3.824 4.608 . 0 0 "[ . 1 . 2]" 1
684 1 39 PHE HA 1 39 PHE QD . . 3.410 2.922 2.312 3.200 . 0 0 "[ . 1 . 2]" 1
685 1 39 PHE HA 1 40 THR H . . 3.150 2.424 2.266 2.625 . 0 0 "[ . 1 . 2]" 1
686 1 39 PHE HA 1 40 THR MG . . 4.950 3.696 3.552 3.896 . 0 0 "[ . 1 . 2]" 1
687 1 39 PHE HA 1 108 ASN HB2 . . 4.850 4.353 3.229 5.087 0.237 2 0 "[ . 1 . 2]" 1
688 1 39 PHE HA 1 109 LEU H . . 3.730 2.394 2.123 3.044 . 0 0 "[ . 1 . 2]" 1
689 1 39 PHE HA 1 109 LEU QB . . 3.640 2.282 1.941 2.673 . 0 0 "[ . 1 . 2]" 1
690 1 39 PHE HA 1 109 LEU HG . . 5.500 4.681 4.320 5.115 . 0 0 "[ . 1 . 2]" 1
691 1 39 PHE HB2 1 40 THR H . . 3.920 3.674 3.465 3.950 0.030 5 0 "[ . 1 . 2]" 1
692 1 39 PHE HB2 1 44 GLN H . . 5.500 4.181 3.873 4.458 . 0 0 "[ . 1 . 2]" 1
693 1 39 PHE HB2 1 44 GLN HA . . 5.160 3.889 3.315 4.312 . 0 0 "[ . 1 . 2]" 1
694 1 39 PHE HB2 1 44 GLN HE22 . . 5.500 5.390 4.700 5.730 0.230 18 0 "[ . 1 . 2]" 1
695 1 39 PHE HB2 1 44 GLN HG2 . . 4.440 3.027 2.486 3.562 . 0 0 "[ . 1 . 2]" 1
696 1 39 PHE HB2 1 47 LEU QD . . 5.500 3.186 2.690 3.854 . 0 0 "[ . 1 . 2]" 1
697 1 39 PHE HB2 1 109 LEU QB . . 5.430 4.331 3.982 4.544 . 0 0 "[ . 1 . 2]" 1
698 1 39 PHE HB3 1 40 THR H . . 3.600 2.363 2.089 2.652 . 0 0 "[ . 1 . 2]" 1
699 1 39 PHE HB3 1 43 LEU HB2 . . 4.240 1.967 1.738 2.208 . 0 0 "[ . 1 . 2]" 1
700 1 39 PHE HB3 1 43 LEU QD . . 4.900 2.942 2.254 3.753 . 0 0 "[ . 1 . 2]" 1
701 1 39 PHE HB3 1 47 LEU QD . . 5.500 3.458 3.019 3.906 . 0 0 "[ . 1 . 2]" 1
702 1 39 PHE QD 1 40 THR H . . 3.670 3.480 3.108 3.715 0.045 11 0 "[ . 1 . 2]" 1
703 1 39 PHE QD 1 40 THR MG . . 4.770 4.163 3.808 4.696 . 0 0 "[ . 1 . 2]" 1
704 1 39 PHE QD 1 43 LEU H . . 5.500 5.276 4.633 5.728 0.228 2 0 "[ . 1 . 2]" 1
705 1 39 PHE QD 1 43 LEU HB2 . . 3.780 3.120 2.351 3.837 0.057 2 0 "[ . 1 . 2]" 1
706 1 39 PHE QD 1 43 LEU HB3 . . 3.530 2.727 1.797 3.715 0.185 2 0 "[ . 1 . 2]" 1
707 1 39 PHE QD 1 43 LEU QD . . 3.340 1.945 1.689 2.388 . 0 0 "[ . 1 . 2]" 1
708 1 39 PHE QD 1 43 LEU HG . . 5.060 4.101 2.167 5.010 . 0 0 "[ . 1 . 2]" 1
709 1 39 PHE QD 1 47 LEU QD . . 5.020 2.545 1.846 3.140 . 0 0 "[ . 1 . 2]" 1
710 1 39 PHE QD 1 109 LEU H . . 4.460 4.505 4.055 4.677 0.217 1 0 "[ . 1 . 2]" 1
711 1 39 PHE QD 1 109 LEU QB . . 4.970 2.716 2.177 3.197 . 0 0 "[ . 1 . 2]" 1
712 1 39 PHE QE 1 43 LEU QD . . 4.610 2.998 2.102 3.662 . 0 0 "[ . 1 . 2]" 1
713 1 39 PHE QE 1 47 LEU QD . . 4.060 2.843 2.481 3.262 . 0 0 "[ . 1 . 2]" 1
714 1 39 PHE QE 1 109 LEU QB . . 5.240 2.897 2.422 3.562 . 0 0 "[ . 1 . 2]" 1
715 1 39 PHE QE 1 109 LEU MD2 . . 3.480 3.670 2.516 3.902 0.422 16 0 "[ . 1 . 2]" 1
716 1 39 PHE QE 1 111 SER H . . 5.500 4.554 3.660 5.575 0.075 5 0 "[ . 1 . 2]" 1
717 1 39 PHE QE 1 112 PHE H . . 5.100 3.325 2.352 4.250 . 0 0 "[ . 1 . 2]" 1
718 1 39 PHE QE 1 112 PHE QB . . 4.080 2.555 2.099 3.199 . 0 0 "[ . 1 . 2]" 1
719 1 39 PHE HZ 1 47 LEU QD . . 5.490 3.613 3.121 4.194 . 0 0 "[ . 1 . 2]" 1
720 1 39 PHE HZ 1 112 PHE H . . 5.500 4.579 3.701 5.357 . 0 0 "[ . 1 . 2]" 1
721 1 39 PHE HZ 1 112 PHE QB . . 3.350 2.301 1.897 2.885 . 0 0 "[ . 1 . 2]" 1
722 1 40 THR H 1 40 THR HB . . 3.600 3.620 3.083 3.685 0.085 18 0 "[ . 1 . 2]" 1
723 1 40 THR H 1 40 THR MG . . 3.140 1.948 1.833 2.187 . 0 0 "[ . 1 . 2]" 1
724 1 40 THR H 1 41 LYS H . . 4.940 4.614 4.529 4.675 . 0 0 "[ . 1 . 2]" 1
725 1 40 THR H 1 43 LEU HB2 . . 4.430 2.683 2.336 3.272 . 0 0 "[ . 1 . 2]" 1
726 1 40 THR H 1 43 LEU QD . . 4.300 2.741 1.693 3.807 . 0 0 "[ . 1 . 2]" 1
727 1 40 THR H 1 108 ASN HB3 . . 4.290 3.582 2.907 4.478 0.188 20 0 "[ . 1 . 2]" 1
728 1 40 THR H 1 109 LEU H . . 4.810 4.028 3.347 4.681 . 0 0 "[ . 1 . 2]" 1
729 1 40 THR H 1 109 LEU QB . . 4.970 4.100 3.454 4.579 . 0 0 "[ . 1 . 2]" 1
730 1 40 THR H 1 110 VAL HA . . 4.600 4.036 3.627 4.394 . 0 0 "[ . 1 . 2]" 1
731 1 40 THR H 1 110 VAL MG2 . . 4.710 4.458 3.961 4.855 0.145 20 0 "[ . 1 . 2]" 1
732 1 40 THR HA 1 40 THR MG . . 3.470 2.700 2.468 3.212 . 0 0 "[ . 1 . 2]" 1
733 1 40 THR HA 1 41 LYS H . . 2.820 2.289 2.212 2.366 . 0 0 "[ . 1 . 2]" 1
734 1 40 THR HA 1 41 LYS HB2 . . 4.440 4.535 4.424 4.678 0.238 15 0 "[ . 1 . 2]" 1
735 1 40 THR HA 1 42 ASP H . . 4.680 4.098 3.904 4.249 . 0 0 "[ . 1 . 2]" 1
736 1 40 THR HA 1 43 LEU H . . 5.300 4.524 4.334 4.770 . 0 0 "[ . 1 . 2]" 1
737 1 40 THR HA 1 108 ASN HB2 . . 4.170 2.971 2.078 3.746 . 0 0 "[ . 1 . 2]" 1
738 1 40 THR HA 1 108 ASN HB3 . . 3.930 2.555 1.874 3.341 . 0 0 "[ . 1 . 2]" 1
739 1 40 THR HA 1 108 ASN HD21 . . 5.420 3.976 1.988 4.875 . 0 0 "[ . 1 . 2]" 1
740 1 40 THR HA 1 108 ASN HD22 . . 5.000 4.617 3.539 5.179 0.179 4 0 "[ . 1 . 2]" 1
741 1 40 THR HB 1 41 LYS H . . 3.470 2.849 2.676 3.457 . 0 0 "[ . 1 . 2]" 1
742 1 40 THR HB 1 41 LYS HB2 . . 4.690 4.454 4.152 5.034 0.344 11 0 "[ . 1 . 2]" 1
743 1 40 THR HB 1 42 ASP H . . 4.130 3.122 2.516 4.200 0.070 11 0 "[ . 1 . 2]" 1
744 1 40 THR HB 1 43 LEU H . . 4.640 3.895 3.353 4.801 0.161 11 0 "[ . 1 . 2]" 1
745 1 40 THR HB 1 108 ASN HB2 . . 4.650 3.796 2.379 4.302 . 0 0 "[ . 1 . 2]" 1
746 1 40 THR HB 1 108 ASN HB3 . . 4.640 4.147 3.086 4.856 0.216 5 0 "[ . 1 . 2]" 1
747 1 40 THR HB 1 110 VAL MG2 . . 5.010 4.357 3.978 4.872 . 0 0 "[ . 1 . 2]" 1
748 1 40 THR MG 1 41 LYS H . . 3.950 4.091 3.977 4.150 0.200 16 0 "[ . 1 . 2]" 1
749 1 40 THR MG 1 42 ASP H . . 4.230 4.207 3.339 4.342 0.112 1 0 "[ . 1 . 2]" 1
750 1 40 THR MG 1 42 ASP HB2 . . 5.500 4.521 2.417 5.245 . 0 0 "[ . 1 . 2]" 1
751 1 40 THR MG 1 42 ASP HB3 . . 5.140 4.151 3.645 5.165 0.025 4 0 "[ . 1 . 2]" 1
752 1 40 THR MG 1 43 LEU H . . 3.680 3.692 2.317 4.002 0.322 6 0 "[ . 1 . 2]" 1
753 1 40 THR MG 1 43 LEU QD . . 3.350 2.241 1.704 3.345 . 0 0 "[ . 1 . 2]" 1
754 1 40 THR MG 1 43 LEU HG . . 4.430 3.420 2.451 4.663 0.233 4 0 "[ . 1 . 2]" 1
755 1 40 THR MG 1 104 ASP H . . 5.500 4.262 3.795 4.777 . 0 0 "[ . 1 . 2]" 1
756 1 40 THR MG 1 108 ASN H . . 5.500 4.403 4.015 5.139 . 0 0 "[ . 1 . 2]" 1
757 1 40 THR MG 1 108 ASN HB2 . . 4.160 2.194 1.702 3.032 . 0 0 "[ . 1 . 2]" 1
758 1 40 THR MG 1 108 ASN HB3 . . 4.030 2.970 1.947 3.836 . 0 0 "[ . 1 . 2]" 1
759 1 40 THR MG 1 108 ASN HD21 . . 5.500 3.502 2.514 4.572 . 0 0 "[ . 1 . 2]" 1
760 1 40 THR MG 1 108 ASN HD22 . . 5.500 4.291 2.903 5.555 0.055 11 0 "[ . 1 . 2]" 1
761 1 40 THR MG 1 109 LEU HA . . 5.500 4.585 4.180 4.966 . 0 0 "[ . 1 . 2]" 1
762 1 40 THR MG 1 110 VAL HA . . 3.940 2.696 2.252 3.297 . 0 0 "[ . 1 . 2]" 1
763 1 40 THR MG 1 110 VAL MG1 . . 4.530 4.292 4.018 4.604 0.074 15 0 "[ . 1 . 2]" 1
764 1 40 THR MG 1 110 VAL MG2 . . 3.190 2.082 1.745 2.400 . 0 0 "[ . 1 . 2]" 1
765 1 41 LYS H 1 41 LYS HB2 . . 3.030 2.277 2.157 2.467 . 0 0 "[ . 1 . 2]" 1
766 1 41 LYS H 1 41 LYS QD . . 5.140 3.018 1.930 4.333 . 0 0 "[ . 1 . 2]" 1
767 1 41 LYS H 1 41 LYS HG2 . . 4.020 3.592 2.228 4.103 0.083 10 0 "[ . 1 . 2]" 1
768 1 41 LYS H 1 41 LYS HG3 . . 4.200 3.448 2.325 4.226 0.026 9 0 "[ . 1 . 2]" 1
769 1 41 LYS H 1 42 ASP H . . 3.490 2.730 2.605 2.904 . 0 0 "[ . 1 . 2]" 1
770 1 41 LYS H 1 43 LEU H . . 5.040 4.318 4.082 4.526 . 0 0 "[ . 1 . 2]" 1
771 1 41 LYS H 1 44 GLN HE21 . . 5.500 4.254 3.402 5.611 0.111 18 0 "[ . 1 . 2]" 1
772 1 41 LYS H 1 44 GLN HE22 . . 4.880 4.756 4.189 4.987 0.107 13 0 "[ . 1 . 2]" 1
773 1 41 LYS H 1 108 ASN HB3 . . 5.500 4.634 3.820 5.326 . 0 0 "[ . 1 . 2]" 1
774 1 41 LYS HA 1 41 LYS HB2 . . 2.850 2.987 2.916 3.013 0.163 8 0 "[ . 1 . 2]" 1
775 1 41 LYS HA 1 41 LYS QD . . 3.930 2.951 1.886 4.167 0.237 1 0 "[ . 1 . 2]" 1
776 1 41 LYS HA 1 41 LYS HG3 . . 4.100 2.861 2.284 3.769 . 0 0 "[ . 1 . 2]" 1
777 1 41 LYS HA 1 43 LEU H . . 5.150 4.441 4.233 4.617 . 0 0 "[ . 1 . 2]" 1
778 1 41 LYS HA 1 44 GLN H . . 4.640 3.362 3.161 3.634 . 0 0 "[ . 1 . 2]" 1
779 1 41 LYS HA 1 44 GLN HB2 . . 4.850 2.719 2.186 3.178 . 0 0 "[ . 1 . 2]" 1
780 1 41 LYS HA 1 44 GLN HB3 . . 5.230 4.084 3.597 4.473 . 0 0 "[ . 1 . 2]" 1
781 1 41 LYS HA 1 44 GLN HE21 . . 4.370 3.238 2.176 4.193 . 0 0 "[ . 1 . 2]" 1
782 1 41 LYS HA 1 44 GLN HE22 . . 3.910 3.498 3.034 3.867 . 0 0 "[ . 1 . 2]" 1
783 1 41 LYS HA 1 44 GLN HG2 . . 4.510 4.049 3.610 4.550 0.040 14 0 "[ . 1 . 2]" 1
784 1 41 LYS HA 1 44 GLN HG3 . . 3.820 2.636 2.092 3.210 . 0 0 "[ . 1 . 2]" 1
785 1 41 LYS HB2 1 42 ASP H . . 3.300 2.967 2.525 3.351 0.051 9 0 "[ . 1 . 2]" 1
786 1 41 LYS HB2 1 42 ASP HA . . 5.120 4.805 4.475 5.225 0.105 9 0 "[ . 1 . 2]" 1
787 1 41 LYS HB3 1 42 ASP H . . 3.790 3.602 3.300 3.813 0.023 17 0 "[ . 1 . 2]" 1
788 1 41 LYS HB3 1 42 ASP HB2 . . 5.170 5.350 4.864 5.636 0.466 2 0 "[ . 1 . 2]" 1
789 1 41 LYS QD 1 42 ASP H . . 5.000 4.684 4.214 5.153 0.153 4 0 "[ . 1 . 2]" 1
790 1 41 LYS QD 1 44 GLN HE21 . . 5.500 4.052 2.363 5.835 0.335 6 0 "[ . 1 . 2]" 1
791 1 41 LYS HE3 1 41 LYS HG2 . . 3.490 3.029 2.477 3.751 0.261 9 0 "[ . 1 . 2]" 1
792 1 41 LYS HG2 1 44 GLN HE21 . . 5.500 4.952 3.470 5.764 0.264 19 0 "[ . 1 . 2]" 1
793 1 42 ASP H 1 42 ASP HB2 . . 3.130 2.415 2.031 2.767 . 0 0 "[ . 1 . 2]" 1
794 1 42 ASP H 1 42 ASP HB3 . . 3.340 2.780 2.291 3.510 0.170 4 0 "[ . 1 . 2]" 1
795 1 42 ASP H 1 43 LEU H . . 3.270 2.655 2.521 2.904 . 0 0 "[ . 1 . 2]" 1
796 1 42 ASP H 1 44 GLN H . . 4.660 3.897 3.696 4.121 . 0 0 "[ . 1 . 2]" 1
797 1 42 ASP HB2 1 43 LEU H . . 3.810 3.432 2.426 3.934 0.124 14 0 "[ . 1 . 2]" 1
798 1 42 ASP HB2 1 43 LEU HG . . 5.500 5.370 4.782 5.817 0.317 12 0 "[ . 1 . 2]" 1
799 1 42 ASP HB3 1 43 LEU H . . 3.860 2.704 2.065 3.545 . 0 0 "[ . 1 . 2]" 1
800 1 42 ASP HB3 1 44 GLN H . . 5.500 4.927 4.586 5.444 . 0 0 "[ . 1 . 2]" 1
801 1 43 LEU H 1 43 LEU HB2 . . 3.180 2.366 2.127 2.526 . 0 0 "[ . 1 . 2]" 1
802 1 43 LEU H 1 43 LEU HB3 . . 3.700 3.585 3.443 3.652 . 0 0 "[ . 1 . 2]" 1
803 1 43 LEU H 1 43 LEU QD . . 4.000 2.674 1.827 3.233 . 0 0 "[ . 1 . 2]" 1
804 1 43 LEU H 1 43 LEU HG . . 3.800 3.158 2.272 3.937 0.137 20 0 "[ . 1 . 2]" 1
805 1 43 LEU H 1 44 GLN H . . 3.080 2.563 2.427 2.731 . 0 0 "[ . 1 . 2]" 1
806 1 43 LEU H 1 44 GLN HA . . 5.120 5.162 5.092 5.259 0.139 12 0 "[ . 1 . 2]" 1
807 1 43 LEU H 1 44 GLN HB2 . . 5.220 4.781 4.476 5.239 0.019 12 0 "[ . 1 . 2]" 1
808 1 43 LEU H 1 44 GLN HG2 . . 5.500 5.513 5.250 5.669 0.169 18 0 "[ . 1 . 2]" 1
809 1 43 LEU HA 1 43 LEU HB3 . . 2.960 2.574 2.460 2.726 . 0 0 "[ . 1 . 2]" 1
810 1 43 LEU HA 1 43 LEU QD . . 2.860 2.271 1.888 2.914 0.054 19 0 "[ . 1 . 2]" 1
811 1 43 LEU HA 1 43 LEU HG . . 3.860 2.982 2.232 3.782 . 0 0 "[ . 1 . 2]" 1
812 1 43 LEU HA 1 46 SER H . . 3.980 2.871 2.567 3.432 . 0 0 "[ . 1 . 2]" 1
813 1 43 LEU HB2 1 43 LEU QD . . 3.140 2.344 2.198 2.658 . 0 0 "[ . 1 . 2]" 1
814 1 43 LEU HB2 1 44 GLN H . . 4.290 3.091 2.919 3.472 . 0 0 "[ . 1 . 2]" 1
815 1 43 LEU HB2 1 47 LEU QD . . 5.450 3.763 3.365 4.145 . 0 0 "[ . 1 . 2]" 1
816 1 43 LEU HB3 1 44 GLN H . . 4.340 3.826 3.580 3.973 . 0 0 "[ . 1 . 2]" 1
817 1 43 LEU HB3 1 44 GLN HA . . 4.780 4.475 4.157 4.686 . 0 0 "[ . 1 . 2]" 1
818 1 43 LEU HB3 1 44 GLN HG2 . . 5.500 5.412 4.977 5.675 0.175 19 0 "[ . 1 . 2]" 1
819 1 43 LEU QD 1 46 SER H . . 5.500 4.416 3.912 5.303 . 0 0 "[ . 1 . 2]" 1
820 1 43 LEU QD 1 47 LEU QD . . 5.500 3.117 2.418 3.761 . 0 0 "[ . 1 . 2]" 1
821 1 43 LEU HG 1 44 GLN H . . 5.500 4.943 4.411 5.426 . 0 0 "[ . 1 . 2]" 1
822 1 44 GLN H 1 44 GLN HB2 . . 3.150 2.487 2.339 2.715 . 0 0 "[ . 1 . 2]" 1
823 1 44 GLN H 1 44 GLN HB3 . . 3.760 3.593 3.544 3.656 . 0 0 "[ . 1 . 2]" 1
824 1 44 GLN H 1 44 GLN HE22 . . 5.500 5.542 5.241 5.687 0.187 3 0 "[ . 1 . 2]" 1
825 1 44 GLN H 1 44 GLN HG2 . . 4.000 3.336 3.037 3.574 . 0 0 "[ . 1 . 2]" 1
826 1 44 GLN H 1 44 GLN HG3 . . 3.490 2.189 1.946 2.389 . 0 0 "[ . 1 . 2]" 1
827 1 44 GLN HA 1 44 GLN HE22 . . 5.500 5.885 5.674 5.953 0.453 20 0 "[ . 1 . 2]" 1
828 1 44 GLN HA 1 44 GLN HG2 . . 3.900 2.436 2.336 2.580 . 0 0 "[ . 1 . 2]" 1
829 1 44 GLN HA 1 44 GLN HG3 . . 3.820 3.036 2.880 3.210 . 0 0 "[ . 1 . 2]" 1
830 1 44 GLN HA 1 46 SER H . . 4.720 4.015 3.562 4.307 . 0 0 "[ . 1 . 2]" 1
831 1 44 GLN HA 1 47 LEU H . . 5.020 3.983 3.633 4.635 . 0 0 "[ . 1 . 2]" 1
832 1 44 GLN HA 1 47 LEU QB . . 4.900 3.923 2.982 4.839 . 0 0 "[ . 1 . 2]" 1
833 1 44 GLN HA 1 47 LEU QD . . 3.900 2.965 1.749 3.541 . 0 0 "[ . 1 . 2]" 1
834 1 44 GLN HA 1 47 LEU HG . . 4.060 2.774 2.063 4.486 0.426 3 0 "[ . 1 . 2]" 1
835 1 44 GLN HB2 1 44 GLN HE22 . . 4.860 4.540 3.740 4.733 . 0 0 "[ . 1 . 2]" 1
836 1 44 GLN HB2 1 45 SER H . . 3.690 2.898 2.257 3.486 . 0 0 "[ . 1 . 2]" 1
837 1 44 GLN HB2 1 45 SER HA . . 5.500 4.689 4.239 5.135 . 0 0 "[ . 1 . 2]" 1
838 1 44 GLN HB2 1 46 SER H . . 5.200 4.902 4.507 5.209 0.009 20 0 "[ . 1 . 2]" 1
839 1 44 GLN HB3 1 44 GLN HE22 . . 5.300 4.595 3.651 4.778 . 0 0 "[ . 1 . 2]" 1
840 1 44 GLN HE22 1 44 GLN HG2 . . 3.960 3.648 3.452 3.969 0.009 14 0 "[ . 1 . 2]" 1
841 1 44 GLN HE22 1 44 GLN HG3 . . 3.860 3.517 3.424 4.004 0.144 18 0 "[ . 1 . 2]" 1
842 1 44 GLN HG2 1 45 SER H . . 5.500 5.015 4.744 5.217 . 0 0 "[ . 1 . 2]" 1
843 1 44 GLN HG3 1 45 SER H . . 5.210 4.372 3.927 4.646 . 0 0 "[ . 1 . 2]" 1
844 1 45 SER H 1 45 SER HB2 . . 3.290 2.510 2.433 2.627 . 0 0 "[ . 1 . 2]" 1
845 1 45 SER H 1 45 SER HB3 . . 3.980 3.595 2.643 3.744 . 0 0 "[ . 1 . 2]" 1
846 1 45 SER H 1 46 SER H . . 3.390 2.328 2.036 2.617 . 0 0 "[ . 1 . 2]" 1
847 1 45 SER H 1 47 LEU H . . 4.390 4.156 3.904 4.432 0.042 2 0 "[ . 1 . 2]" 1
848 1 45 SER HA 1 45 SER HB2 . . 2.820 3.001 2.579 3.034 0.214 5 0 "[ . 1 . 2]" 1
849 1 45 SER HA 1 47 LEU H . . 4.570 4.100 3.757 4.444 . 0 0 "[ . 1 . 2]" 1
850 1 45 SER HB2 1 46 SER H . . 3.420 3.322 2.944 3.807 0.387 18 0 "[ . 1 . 2]" 1
851 1 45 SER HB3 1 46 SER H . . 4.990 4.151 2.861 4.410 . 0 0 "[ . 1 . 2]" 1
852 1 46 SER H 1 47 LEU H . . 2.960 2.405 2.152 2.693 . 0 0 "[ . 1 . 2]" 1
853 1 46 SER H 1 47 LEU QD . . 5.500 3.974 2.586 4.546 . 0 0 "[ . 1 . 2]" 1
854 1 46 SER H 1 47 LEU HG . . 5.210 4.477 4.041 5.650 0.440 3 0 "[ . 1 . 2]" 1
855 1 46 SER HA 1 46 SER HB3 . . 3.000 2.730 2.441 3.055 0.055 17 0 "[ . 1 . 2]" 1
856 1 46 SER HB2 1 47 LEU H . . 5.250 4.050 3.339 4.653 . 0 0 "[ . 1 . 2]" 1
857 1 46 SER HB3 1 47 LEU H . . 5.500 4.067 3.035 4.550 . 0 0 "[ . 1 . 2]" 1
858 1 47 LEU H 1 47 LEU QB . . 3.100 2.392 2.033 2.638 . 0 0 "[ . 1 . 2]" 1
859 1 47 LEU H 1 47 LEU QD . . 4.910 2.985 1.708 3.511 . 0 0 "[ . 1 . 2]" 1
860 1 47 LEU H 1 47 LEU HG . . 3.570 3.095 2.668 4.379 0.809 19 1 "[ . 1 . +2]" 1
861 1 47 LEU HA 1 47 LEU QD . . 3.160 1.982 1.816 2.235 . 0 0 "[ . 1 . 2]" 1
862 1 47 LEU HA 1 47 LEU HG . . 4.190 3.361 3.071 3.702 . 0 0 "[ . 1 . 2]" 1
863 1 47 LEU HA 1 48 THR H . . 2.740 2.127 2.066 2.233 . 0 0 "[ . 1 . 2]" 1
864 1 47 LEU HA 1 48 THR MG . . 4.830 3.914 3.504 4.253 . 0 0 "[ . 1 . 2]" 1
865 1 47 LEU QB 1 48 THR H . . 3.710 3.012 2.722 3.824 0.114 19 0 "[ . 1 . 2]" 1
866 1 47 LEU QB 1 48 THR HA . . 4.600 4.262 4.076 4.548 . 0 0 "[ . 1 . 2]" 1
867 1 47 LEU QD 1 48 THR H . . 4.150 3.183 2.715 3.755 . 0 0 "[ . 1 . 2]" 1
868 1 47 LEU HG 1 48 THR H . . 5.070 5.108 4.872 5.303 0.233 3 0 "[ . 1 . 2]" 1
869 1 48 THR H 1 48 THR MG . . 3.430 2.878 2.592 3.117 . 0 0 "[ . 1 . 2]" 1
870 1 48 THR H 1 49 GLU H . . 4.960 4.387 4.155 4.552 . 0 0 "[ . 1 . 2]" 1
871 1 48 THR H 1 50 GLU H . . 5.500 5.309 4.783 5.625 0.125 10 0 "[ . 1 . 2]" 1
872 1 48 THR H 1 51 SER QB . . 4.480 3.358 2.205 4.605 0.125 19 0 "[ . 1 . 2]" 1
873 1 48 THR HA 1 48 THR MG . . 3.640 2.370 2.294 2.474 . 0 0 "[ . 1 . 2]" 1
874 1 48 THR HA 1 49 GLU H . . 2.970 2.213 2.098 2.541 . 0 0 "[ . 1 . 2]" 1
875 1 48 THR HA 1 49 GLU HA . . 4.430 4.389 4.280 4.450 0.020 1 0 "[ . 1 . 2]" 1
876 1 48 THR HB 1 49 GLU H . . 3.730 3.222 2.445 3.822 0.092 17 0 "[ . 1 . 2]" 1
877 1 48 THR HB 1 50 GLU H . . 3.300 2.878 2.364 3.400 0.100 10 0 "[ . 1 . 2]" 1
878 1 48 THR HB 1 50 GLU HB2 . . 5.050 3.792 2.318 5.101 0.051 10 0 "[ . 1 . 2]" 1
879 1 48 THR HB 1 50 GLU HB3 . . 5.090 3.316 2.688 4.172 . 0 0 "[ . 1 . 2]" 1
880 1 48 THR HB 1 51 SER H . . 4.180 3.143 2.587 3.734 . 0 0 "[ . 1 . 2]" 1
881 1 48 THR MG 1 49 GLU H . . 3.980 3.898 3.653 4.061 0.081 5 0 "[ . 1 . 2]" 1
882 1 48 THR MG 1 50 GLU H . . 4.390 4.309 4.066 4.470 0.080 3 0 "[ . 1 . 2]" 1
883 1 48 THR MG 1 51 SER H . . 4.480 4.392 4.126 4.641 0.161 9 0 "[ . 1 . 2]" 1
884 1 49 GLU H 1 49 GLU HB2 . . 3.310 2.476 2.328 3.539 0.229 19 0 "[ . 1 . 2]" 1
885 1 49 GLU H 1 49 GLU HB3 . . 3.450 3.315 2.308 3.638 0.188 20 0 "[ . 1 . 2]" 1
886 1 49 GLU H 1 49 GLU QG . . 4.540 2.910 2.141 3.987 . 0 0 "[ . 1 . 2]" 1
887 1 49 GLU H 1 50 GLU H . . 3.440 2.595 2.469 2.730 . 0 0 "[ . 1 . 2]" 1
888 1 49 GLU H 1 51 SER H . . 5.370 4.189 3.939 4.431 . 0 0 "[ . 1 . 2]" 1
889 1 49 GLU H 1 52 TYR QE . . 5.400 4.691 4.074 5.216 . 0 0 "[ . 1 . 2]" 1
890 1 49 GLU HA 1 49 GLU QG . . 3.120 2.483 2.331 3.384 0.264 19 0 "[ . 1 . 2]" 1
891 1 49 GLU HA 1 51 SER H . . 5.050 4.010 3.802 4.330 . 0 0 "[ . 1 . 2]" 1
892 1 49 GLU HA 1 52 TYR H . . 4.140 3.580 3.300 3.883 . 0 0 "[ . 1 . 2]" 1
893 1 49 GLU HA 1 52 TYR QD . . 4.250 2.438 1.820 3.744 . 0 0 "[ . 1 . 2]" 1
894 1 49 GLU HA 1 52 TYR QE . . 3.530 2.503 2.010 2.941 . 0 0 "[ . 1 . 2]" 1
895 1 49 GLU HB2 1 50 GLU H . . 4.010 3.194 2.721 4.236 0.226 19 0 "[ . 1 . 2]" 1
896 1 49 GLU HB2 1 50 GLU HA . . 5.500 4.805 4.300 5.683 0.183 5 0 "[ . 1 . 2]" 1
897 1 49 GLU HB2 1 51 SER H . . 5.500 5.304 5.049 5.660 0.160 5 0 "[ . 1 . 2]" 1
898 1 49 GLU HB2 1 52 TYR QD . . 4.880 4.878 3.640 5.230 0.350 18 0 "[ . 1 . 2]" 1
899 1 49 GLU HB2 1 52 TYR QE . . 4.770 4.174 2.345 4.778 0.008 8 0 "[ . 1 . 2]" 1
900 1 49 GLU HB3 1 50 GLU H . . 3.770 3.610 2.639 3.878 0.108 1 0 "[ . 1 . 2]" 1
901 1 49 GLU QG 1 52 TYR QD . . 4.560 3.689 2.870 4.240 . 0 0 "[ . 1 . 2]" 1
902 1 49 GLU QG 1 52 TYR QE . . 5.060 2.643 1.792 4.429 . 0 0 "[ . 1 . 2]" 1
903 1 50 GLU H 1 50 GLU HB2 . . 3.290 2.334 2.055 2.579 . 0 0 "[ . 1 . 2]" 1
904 1 50 GLU H 1 50 GLU HB3 . . 3.060 2.710 2.459 3.473 0.413 1 0 "[ . 1 . 2]" 1
905 1 50 GLU H 1 50 GLU QG . . 3.660 3.708 2.073 3.973 0.313 10 0 "[ . 1 . 2]" 1
906 1 50 GLU H 1 51 SER H . . 3.320 2.690 2.441 2.848 . 0 0 "[ . 1 . 2]" 1
907 1 50 GLU H 1 51 SER QB . . 4.980 4.611 4.196 4.867 . 0 0 "[ . 1 . 2]" 1
908 1 50 GLU HA 1 50 GLU QG . . 3.160 2.451 2.377 2.524 . 0 0 "[ . 1 . 2]" 1
909 1 50 GLU HA 1 53 ASP H . . 3.770 3.200 2.838 3.535 . 0 0 "[ . 1 . 2]" 1
910 1 50 GLU HA 1 53 ASP HB2 . . 3.260 3.301 2.538 3.480 0.220 5 0 "[ . 1 . 2]" 1
911 1 50 GLU HA 1 53 ASP HB3 . . 3.580 2.103 1.915 2.610 . 0 0 "[ . 1 . 2]" 1
912 1 50 GLU HA 1 54 SER H . . 2.960 2.793 2.289 3.167 0.207 3 0 "[ . 1 . 2]" 1
913 1 50 GLU HB2 1 51 SER H . . 3.850 3.787 2.831 4.003 0.153 5 0 "[ . 1 . 2]" 1
914 1 50 GLU HB3 1 51 SER H . . 3.750 2.926 2.681 3.855 0.105 8 0 "[ . 1 . 2]" 1
915 1 50 GLU QG 1 51 SER H . . 4.660 4.055 3.713 4.678 0.018 20 0 "[ . 1 . 2]" 1
916 1 51 SER H 1 51 SER QB . . 3.030 2.386 2.257 2.565 . 0 0 "[ . 1 . 2]" 1
917 1 51 SER H 1 52 TYR H . . 3.640 2.751 2.650 2.933 . 0 0 "[ . 1 . 2]" 1
918 1 51 SER HA 1 51 SER QB . . 2.690 2.392 2.358 2.436 . 0 0 "[ . 1 . 2]" 1
919 1 51 SER QB 1 52 TYR H . . 4.220 3.046 2.534 3.539 . 0 0 "[ . 1 . 2]" 1
920 1 52 TYR H 1 52 TYR HB2 . . 4.060 3.642 2.651 3.949 . 0 0 "[ . 1 . 2]" 1
921 1 52 TYR H 1 52 TYR HB3 . . 3.960 3.129 2.507 3.824 . 0 0 "[ . 1 . 2]" 1
922 1 52 TYR H 1 52 TYR QD . . 4.550 2.988 2.020 3.333 . 0 0 "[ . 1 . 2]" 1
923 1 52 TYR H 1 53 ASP H . . 3.430 2.282 1.981 2.662 . 0 0 "[ . 1 . 2]" 1
924 1 52 TYR H 1 54 SER H . . 4.450 4.311 3.948 4.505 0.055 20 0 "[ . 1 . 2]" 1
925 1 52 TYR H 1 55 TYR QD . . 5.500 4.987 3.811 5.647 0.147 9 0 "[ . 1 . 2]" 1
926 1 52 TYR QD 1 53 ASP H . . 5.500 3.969 3.319 4.965 . 0 0 "[ . 1 . 2]" 1
927 1 53 ASP H 1 53 ASP HB2 . . 3.150 2.813 2.331 3.282 0.132 15 0 "[ . 1 . 2]" 1
928 1 53 ASP H 1 53 ASP HB3 . . 3.220 2.646 2.411 2.994 . 0 0 "[ . 1 . 2]" 1
929 1 53 ASP H 1 54 SER H . . 3.450 2.543 2.111 2.827 . 0 0 "[ . 1 . 2]" 1
930 1 53 ASP H 1 55 TYR H . . 5.500 3.490 2.651 4.396 . 0 0 "[ . 1 . 2]" 1
931 1 53 ASP H 1 56 LEU MD1 . . 5.500 4.600 4.107 5.043 . 0 0 "[ . 1 . 2]" 1
932 1 53 ASP HA 1 56 LEU H . . 3.900 3.556 3.279 3.815 . 0 0 "[ . 1 . 2]" 1
933 1 53 ASP HA 1 56 LEU HA . . 5.500 5.523 5.266 5.752 0.252 12 0 "[ . 1 . 2]" 1
934 1 53 ASP HA 1 56 LEU HB2 . . 3.640 3.171 2.473 3.643 0.003 19 0 "[ . 1 . 2]" 1
935 1 53 ASP HA 1 56 LEU MD1 . . 3.530 2.446 1.984 2.991 . 0 0 "[ . 1 . 2]" 1
936 1 53 ASP HA 1 56 LEU MD2 . . 5.070 4.475 4.181 4.723 . 0 0 "[ . 1 . 2]" 1
937 1 53 ASP HA 1 56 LEU HG . . 3.530 3.000 2.615 3.317 . 0 0 "[ . 1 . 2]" 1
938 1 53 ASP HB2 1 54 SER H . . 3.700 3.656 3.505 3.786 0.086 4 0 "[ . 1 . 2]" 1
939 1 53 ASP HB2 1 56 LEU HG . . 5.310 5.302 4.947 5.447 0.137 6 0 "[ . 1 . 2]" 1
940 1 53 ASP HB3 1 54 SER H . . 3.670 2.245 1.975 2.473 . 0 0 "[ . 1 . 2]" 1
941 1 54 SER H 1 54 SER HB2 . . 3.520 2.794 2.373 3.610 0.090 3 0 "[ . 1 . 2]" 1
942 1 54 SER H 1 55 TYR H . . 3.400 2.718 2.492 2.997 . 0 0 "[ . 1 . 2]" 1
943 1 54 SER H 1 55 TYR HB3 . . 5.190 4.548 4.109 5.263 0.073 15 0 "[ . 1 . 2]" 1
944 1 54 SER H 1 56 LEU HB2 . . 5.500 5.312 4.848 5.511 0.011 13 0 "[ . 1 . 2]" 1
945 1 55 TYR H 1 55 TYR HB2 . . 3.550 2.984 2.392 3.636 0.086 4 0 "[ . 1 . 2]" 1
946 1 55 TYR H 1 55 TYR HB3 . . 3.540 2.284 2.109 2.562 . 0 0 "[ . 1 . 2]" 1
947 1 55 TYR H 1 55 TYR QD . . 4.640 3.753 2.303 4.207 . 0 0 "[ . 1 . 2]" 1
948 1 55 TYR H 1 56 LEU H . . 3.550 2.799 2.475 3.120 . 0 0 "[ . 1 . 2]" 1
949 1 55 TYR H 1 56 LEU HB2 . . 5.500 5.041 4.714 5.355 . 0 0 "[ . 1 . 2]" 1
950 1 55 TYR HA 1 57 LYS H . . 4.760 4.203 3.877 4.701 . 0 0 "[ . 1 . 2]" 1
951 1 55 TYR HA 1 58 ILE H . . 4.280 3.577 3.310 3.853 . 0 0 "[ . 1 . 2]" 1
952 1 55 TYR HA 1 58 ILE HB . . 3.800 3.261 2.947 3.605 . 0 0 "[ . 1 . 2]" 1
953 1 55 TYR HA 1 58 ILE MD . . 3.800 2.056 1.637 2.576 . 0 0 "[ . 1 . 2]" 1
954 1 55 TYR HA 1 58 ILE HG13 . . 4.980 4.871 2.990 5.120 0.140 7 0 "[ . 1 . 2]" 1
955 1 55 TYR HA 1 58 ILE MG . . 4.810 4.561 4.142 4.838 0.028 15 0 "[ . 1 . 2]" 1
956 1 55 TYR HA 1 59 LEU H . . 5.500 4.429 4.172 4.784 . 0 0 "[ . 1 . 2]" 1
957 1 55 TYR HA 1 114 MET ME . . 4.010 3.411 2.498 4.150 0.140 4 0 "[ . 1 . 2]" 1
958 1 55 TYR HB2 1 56 LEU H . . 4.290 4.174 3.894 4.314 0.024 5 0 "[ . 1 . 2]" 1
959 1 55 TYR HB3 1 56 LEU H . . 3.870 3.169 2.533 4.144 0.274 4 0 "[ . 1 . 2]" 1
960 1 55 TYR QD 1 56 LEU H . . 3.530 3.281 2.961 3.675 0.145 3 0 "[ . 1 . 2]" 1
961 1 55 TYR QD 1 56 LEU HA . . 4.530 3.632 2.444 4.100 . 0 0 "[ . 1 . 2]" 1
962 1 55 TYR QD 1 56 LEU HB3 . . 5.500 5.246 4.559 5.602 0.102 8 0 "[ . 1 . 2]" 1
963 1 55 TYR QD 1 56 LEU MD1 . . 4.890 4.396 4.005 5.022 0.132 3 0 "[ . 1 . 2]" 1
964 1 55 TYR QD 1 56 LEU HG . . 4.670 3.116 2.586 4.083 . 0 0 "[ . 1 . 2]" 1
965 1 55 TYR QD 1 58 ILE MD . . 4.900 4.299 2.814 4.900 . 0 0 "[ . 1 . 2]" 1
966 1 55 TYR QD 1 114 MET ME . . 3.430 2.374 1.538 3.535 0.105 9 0 "[ . 1 . 2]" 1
967 1 55 TYR QD 1 114 MET HG3 . . 3.850 3.836 3.463 4.074 0.224 19 0 "[ . 1 . 2]" 1
968 1 55 TYR QE 1 56 LEU MD2 . . 2.940 2.664 2.374 2.995 0.055 14 0 "[ . 1 . 2]" 1
969 1 55 TYR QE 1 59 LEU HB2 . . 5.120 3.899 3.081 4.518 . 0 0 "[ . 1 . 2]" 1
970 1 55 TYR QE 1 59 LEU MD1 . . 3.520 2.880 2.159 3.588 0.068 20 0 "[ . 1 . 2]" 1
971 1 55 TYR QE 1 59 LEU MD2 . . 3.750 2.665 1.964 3.122 . 0 0 "[ . 1 . 2]" 1
972 1 56 LEU H 1 56 LEU HB2 . . 3.370 2.495 2.452 2.561 . 0 0 "[ . 1 . 2]" 1
973 1 56 LEU H 1 56 LEU HB3 . . 3.940 3.637 3.613 3.659 . 0 0 "[ . 1 . 2]" 1
974 1 56 LEU H 1 56 LEU MD1 . . 3.970 3.773 3.610 3.952 . 0 0 "[ . 1 . 2]" 1
975 1 56 LEU H 1 56 LEU MD2 . . 4.480 3.407 3.229 3.564 . 0 0 "[ . 1 . 2]" 1
976 1 56 LEU H 1 56 LEU HG . . 3.320 2.486 2.254 2.697 . 0 0 "[ . 1 . 2]" 1
977 1 56 LEU H 1 57 LYS H . . 3.460 2.688 2.578 2.835 . 0 0 "[ . 1 . 2]" 1
978 1 56 LEU H 1 59 LEU H . . 5.080 4.704 4.589 4.897 . 0 0 "[ . 1 . 2]" 1
979 1 56 LEU HA 1 56 LEU MD1 . . 4.450 3.901 3.855 3.957 . 0 0 "[ . 1 . 2]" 1
980 1 56 LEU HA 1 56 LEU MD2 . . 3.260 2.055 1.989 2.157 . 0 0 "[ . 1 . 2]" 1
981 1 56 LEU HA 1 58 ILE H . . 5.010 4.254 4.035 4.624 . 0 0 "[ . 1 . 2]" 1
982 1 56 LEU HA 1 58 ILE MD . . 4.900 5.129 4.963 5.581 0.681 10 1 "[ . + . 2]" 1
983 1 56 LEU HA 1 59 LEU H . . 3.950 3.166 2.976 3.675 . 0 0 "[ . 1 . 2]" 1
984 1 56 LEU HA 1 59 LEU HB2 . . 3.780 2.440 2.235 2.650 . 0 0 "[ . 1 . 2]" 1
985 1 56 LEU HA 1 59 LEU HB3 . . 3.300 2.535 2.221 3.151 . 0 0 "[ . 1 . 2]" 1
986 1 56 LEU HA 1 59 LEU MD1 . . 4.690 4.230 3.867 4.541 . 0 0 "[ . 1 . 2]" 1
987 1 56 LEU HA 1 59 LEU MD2 . . 3.970 3.005 2.779 3.269 . 0 0 "[ . 1 . 2]" 1
988 1 56 LEU HA 1 60 GLU H . . 4.440 4.032 3.711 4.379 . 0 0 "[ . 1 . 2]" 1
989 1 56 LEU HB2 1 57 LYS H . . 4.110 2.955 2.796 3.124 . 0 0 "[ . 1 . 2]" 1
990 1 56 LEU HB3 1 57 LYS H . . 4.070 3.831 3.700 4.052 . 0 0 "[ . 1 . 2]" 1
991 1 56 LEU MD1 1 57 LYS H . . 5.500 4.870 4.710 5.033 . 0 0 "[ . 1 . 2]" 1
992 1 56 LEU MD2 1 57 LYS H . . 5.500 4.789 4.728 4.887 . 0 0 "[ . 1 . 2]" 1
993 1 56 LEU MD2 1 59 LEU H . . 5.500 4.649 4.487 5.129 . 0 0 "[ . 1 . 2]" 1
994 1 56 LEU MD2 1 59 LEU HB2 . . 5.290 3.317 3.072 3.757 . 0 0 "[ . 1 . 2]" 1
995 1 56 LEU MD2 1 59 LEU MD1 . . 4.450 3.963 3.570 4.147 . 0 0 "[ . 1 . 2]" 1
996 1 56 LEU MD2 1 59 LEU MD2 . . 3.820 2.179 1.980 2.633 . 0 0 "[ . 1 . 2]" 1
997 1 57 LYS H 1 57 LYS HB2 . . 3.450 2.508 2.312 2.644 . 0 0 "[ . 1 . 2]" 1
998 1 57 LYS H 1 57 LYS HB3 . . 3.400 3.580 3.555 3.596 0.196 16 0 "[ . 1 . 2]" 1
999 1 57 LYS H 1 57 LYS HE2 . . 5.460 3.375 2.710 4.019 . 0 0 "[ . 1 . 2]" 1
1000 1 57 LYS H 1 57 LYS HG2 . . 3.680 2.348 2.048 3.932 0.252 14 0 "[ . 1 . 2]" 1
1001 1 57 LYS H 1 57 LYS HG3 . . 3.930 3.586 3.207 3.931 0.001 14 0 "[ . 1 . 2]" 1
1002 1 57 LYS H 1 58 ILE H . . 3.400 2.634 2.519 2.782 . 0 0 "[ . 1 . 2]" 1
1003 1 57 LYS H 1 58 ILE HB . . 5.160 4.822 4.663 5.034 . 0 0 "[ . 1 . 2]" 1
1004 1 57 LYS H 1 59 LEU H . . 4.770 3.979 3.818 4.154 . 0 0 "[ . 1 . 2]" 1
1005 1 57 LYS H 1 60 GLU H . . 5.090 4.796 4.553 4.932 . 0 0 "[ . 1 . 2]" 1
1006 1 57 LYS HA 1 57 LYS HB2 . . 3.010 3.022 3.007 3.031 0.021 10 0 "[ . 1 . 2]" 1
1007 1 57 LYS HA 1 57 LYS HG2 . . 3.640 3.174 2.835 3.745 0.105 7 0 "[ . 1 . 2]" 1
1008 1 57 LYS HA 1 57 LYS HG3 . . 3.560 3.690 2.618 3.845 0.285 1 0 "[ . 1 . 2]" 1
1009 1 57 LYS HA 1 59 LEU H . . 5.080 4.465 4.337 4.646 . 0 0 "[ . 1 . 2]" 1
1010 1 57 LYS HA 1 60 GLU H . . 3.830 3.677 3.451 3.877 0.047 14 0 "[ . 1 . 2]" 1
1011 1 57 LYS HB2 1 57 LYS HE2 . . 4.420 4.143 3.813 4.489 0.069 14 0 "[ . 1 . 2]" 1
1012 1 57 LYS HB2 1 58 ILE H . . 3.990 2.678 2.505 2.886 . 0 0 "[ . 1 . 2]" 1
1013 1 57 LYS HB2 1 58 ILE HA . . 4.310 4.446 4.318 4.685 0.375 14 0 "[ . 1 . 2]" 1
1014 1 57 LYS HB3 1 57 LYS HE2 . . 4.500 3.651 3.242 4.479 . 0 0 "[ . 1 . 2]" 1
1015 1 57 LYS HB3 1 58 ILE H . . 3.940 3.717 3.523 3.859 . 0 0 "[ . 1 . 2]" 1
1016 1 57 LYS HD3 1 57 LYS HE2 . . 2.900 2.550 2.375 3.026 0.126 7 0 "[ . 1 . 2]" 1
1017 1 57 LYS HE2 1 60 GLU HB3 . . 4.980 4.911 3.602 5.248 0.268 3 0 "[ . 1 . 2]" 1
1018 1 58 ILE H 1 58 ILE HB . . 3.020 2.523 2.442 2.613 . 0 0 "[ . 1 . 2]" 1
1019 1 58 ILE H 1 58 ILE MD . . 4.070 1.941 1.746 3.305 . 0 0 "[ . 1 . 2]" 1
1020 1 58 ILE H 1 58 ILE HG13 . . 3.820 3.403 1.894 3.690 . 0 0 "[ . 1 . 2]" 1
1021 1 58 ILE H 1 58 ILE MG . . 4.020 3.832 3.787 3.884 . 0 0 "[ . 1 . 2]" 1
1022 1 58 ILE H 1 59 LEU H . . 3.310 2.511 2.380 2.659 . 0 0 "[ . 1 . 2]" 1
1023 1 58 ILE H 1 59 LEU HB2 . . 5.200 4.451 4.273 4.691 . 0 0 "[ . 1 . 2]" 1
1024 1 58 ILE H 1 59 LEU HB3 . . 4.710 4.941 4.668 5.267 0.557 9 2 "[ . +1 .- 2]" 1
1025 1 58 ILE HA 1 58 ILE MD . . 3.840 3.123 2.820 3.966 0.126 10 0 "[ . 1 . 2]" 1
1026 1 58 ILE HA 1 58 ILE HG12 . . 3.930 3.691 2.798 3.764 . 0 0 "[ . 1 . 2]" 1
1027 1 58 ILE HA 1 58 ILE HG13 . . 3.510 2.545 2.489 3.033 . 0 0 "[ . 1 . 2]" 1
1028 1 58 ILE HA 1 58 ILE MG . . 3.140 2.550 2.436 2.628 . 0 0 "[ . 1 . 2]" 1
1029 1 58 ILE HA 1 61 LYS H . . 4.350 3.964 3.566 4.357 0.007 1 0 "[ . 1 . 2]" 1
1030 1 58 ILE HA 1 61 LYS QD . . 3.730 2.868 2.126 3.469 . 0 0 "[ . 1 . 2]" 1
1031 1 58 ILE HA 1 61 LYS HG2 . . 5.160 3.362 2.460 5.157 . 0 0 "[ . 1 . 2]" 1
1032 1 58 ILE HA 1 62 GLN HE21 . . 5.500 4.138 3.778 4.872 . 0 0 "[ . 1 . 2]" 1
1033 1 58 ILE HA 1 62 GLN HE22 . . 5.500 4.994 4.717 5.524 0.024 8 0 "[ . 1 . 2]" 1
1034 1 58 ILE HB 1 59 LEU H . . 3.370 2.542 2.406 2.669 . 0 0 "[ . 1 . 2]" 1
1035 1 58 ILE MD 1 59 LEU H . . 4.990 3.779 3.660 4.302 . 0 0 "[ . 1 . 2]" 1
1036 1 58 ILE HG12 1 58 ILE MG . . 3.530 2.279 2.238 2.373 . 0 0 "[ . 1 . 2]" 1
1037 1 58 ILE HG12 1 59 LEU H . . 4.940 5.017 4.947 5.085 0.145 4 0 "[ . 1 . 2]" 1
1038 1 58 ILE HG13 1 58 ILE MG . . 3.450 2.623 2.507 3.247 . 0 0 "[ . 1 . 2]" 1
1039 1 58 ILE MG 1 59 LEU H . . 3.950 3.331 3.111 3.649 . 0 0 "[ . 1 . 2]" 1
1040 1 58 ILE MG 1 60 GLU H . . 5.500 4.898 4.724 5.106 . 0 0 "[ . 1 . 2]" 1
1041 1 58 ILE MG 1 61 LYS H . . 5.320 4.527 4.279 4.810 . 0 0 "[ . 1 . 2]" 1
1042 1 58 ILE MG 1 62 GLN HA . . 5.410 4.930 4.573 5.727 0.317 9 0 "[ . 1 . 2]" 1
1043 1 58 ILE MG 1 62 GLN HE21 . . 3.780 2.940 2.516 3.420 . 0 0 "[ . 1 . 2]" 1
1044 1 58 ILE MG 1 62 GLN HE22 . . 4.530 3.067 1.875 3.538 . 0 0 "[ . 1 . 2]" 1
1045 1 58 ILE MG 1 62 GLN HG2 . . 3.700 2.615 2.137 3.493 . 0 0 "[ . 1 . 2]" 1
1046 1 58 ILE MG 1 62 GLN HG3 . . 4.080 2.928 2.399 4.294 0.214 5 0 "[ . 1 . 2]" 1
1047 1 59 LEU H 1 59 LEU HB2 . . 3.350 2.206 2.089 2.378 . 0 0 "[ . 1 . 2]" 1
1048 1 59 LEU H 1 59 LEU HB3 . . 3.400 2.794 2.558 3.058 . 0 0 "[ . 1 . 2]" 1
1049 1 59 LEU H 1 59 LEU MD1 . . 4.060 3.793 3.441 4.082 0.022 19 0 "[ . 1 . 2]" 1
1050 1 59 LEU H 1 59 LEU MD2 . . 4.290 4.277 4.235 4.321 0.031 9 0 "[ . 1 . 2]" 1
1051 1 59 LEU H 1 60 GLU H . . 3.570 2.724 2.598 2.898 . 0 0 "[ . 1 . 2]" 1
1052 1 59 LEU H 1 61 LYS H . . 5.090 4.253 3.952 4.585 . 0 0 "[ . 1 . 2]" 1
1053 1 59 LEU H 1 62 GLN HG3 . . 5.500 4.750 4.451 5.322 . 0 0 "[ . 1 . 2]" 1
1054 1 59 LEU HA 1 59 LEU MD1 . . 3.150 2.097 2.008 2.271 . 0 0 "[ . 1 . 2]" 1
1055 1 59 LEU HA 1 59 LEU MD2 . . 3.760 3.897 3.862 3.930 0.170 19 0 "[ . 1 . 2]" 1
1056 1 59 LEU HA 1 59 LEU HG . . 3.760 2.890 2.621 3.196 . 0 0 "[ . 1 . 2]" 1
1057 1 59 LEU HA 1 61 LYS H . . 4.700 4.006 3.725 4.229 . 0 0 "[ . 1 . 2]" 1
1058 1 59 LEU HA 1 62 GLN H . . 4.150 3.439 2.956 3.741 . 0 0 "[ . 1 . 2]" 1
1059 1 59 LEU HA 1 62 GLN QB . . 4.700 2.770 2.014 4.366 . 0 0 "[ . 1 . 2]" 1
1060 1 59 LEU HA 1 62 GLN HE21 . . 5.500 4.387 4.164 4.653 . 0 0 "[ . 1 . 2]" 1
1061 1 59 LEU HA 1 62 GLN HG2 . . 3.990 2.246 2.089 2.398 . 0 0 "[ . 1 . 2]" 1
1062 1 59 LEU HA 1 62 GLN HG3 . . 3.490 2.561 2.464 2.768 . 0 0 "[ . 1 . 2]" 1
1063 1 59 LEU HB2 1 59 LEU MD1 . . 3.650 2.405 2.307 2.513 . 0 0 "[ . 1 . 2]" 1
1064 1 59 LEU HB2 1 60 GLU H . . 3.940 3.595 3.305 3.739 . 0 0 "[ . 1 . 2]" 1
1065 1 59 LEU HB2 1 62 GLN HG3 . . 5.270 4.853 4.489 5.492 0.222 9 0 "[ . 1 . 2]" 1
1066 1 59 LEU HB3 1 59 LEU MD1 . . 3.550 3.229 3.193 3.247 . 0 0 "[ . 1 . 2]" 1
1067 1 59 LEU HB3 1 59 LEU MD2 . . 3.510 2.315 2.234 2.410 . 0 0 "[ . 1 . 2]" 1
1068 1 59 LEU HB3 1 60 GLU H . . 3.430 2.600 2.376 2.802 . 0 0 "[ . 1 . 2]" 1
1069 1 59 LEU HB3 1 60 GLU HA . . 5.030 3.872 3.711 4.078 . 0 0 "[ . 1 . 2]" 1
1070 1 59 LEU MD2 1 60 GLU H . . 4.650 4.448 4.237 4.664 0.014 16 0 "[ . 1 . 2]" 1
1071 1 59 LEU HG 1 60 GLU H . . 5.500 4.323 3.891 4.650 . 0 0 "[ . 1 . 2]" 1
1072 1 59 LEU HG 1 60 GLU HA . . 4.850 4.396 3.805 4.880 0.030 9 0 "[ . 1 . 2]" 1
1073 1 60 GLU H 1 60 GLU HB2 . . 3.680 2.485 2.164 3.607 . 0 0 "[ . 1 . 2]" 1
1074 1 60 GLU H 1 60 GLU HB3 . . 3.130 3.278 2.395 3.544 0.414 8 0 "[ . 1 . 2]" 1
1075 1 60 GLU H 1 60 GLU HG2 . . 3.810 3.207 2.096 4.300 0.490 18 0 "[ . 1 . 2]" 1
1076 1 60 GLU H 1 60 GLU HG3 . . 3.930 2.949 2.381 4.241 0.311 18 0 "[ . 1 . 2]" 1
1077 1 60 GLU H 1 61 LYS H . . 3.440 2.679 2.603 2.790 . 0 0 "[ . 1 . 2]" 1
1078 1 60 GLU H 1 62 GLN H . . 5.500 3.979 3.799 4.224 . 0 0 "[ . 1 . 2]" 1
1079 1 60 GLU HA 1 60 GLU HG2 . . 3.680 2.862 2.379 3.805 0.125 13 0 "[ . 1 . 2]" 1
1080 1 60 GLU HA 1 60 GLU HG3 . . 3.460 3.145 2.532 3.733 0.273 6 0 "[ . 1 . 2]" 1
1081 1 60 GLU HA 1 62 GLN H . . 4.220 4.044 3.789 4.290 0.070 19 0 "[ . 1 . 2]" 1
1082 1 60 GLU HB2 1 61 LYS H . . 3.860 3.285 2.658 4.004 0.144 13 0 "[ . 1 . 2]" 1
1083 1 60 GLU HB3 1 60 GLU HG3 . . 2.790 2.861 2.305 2.994 0.204 3 0 "[ . 1 . 2]" 1
1084 1 60 GLU HB3 1 61 LYS H . . 3.840 3.829 2.832 4.077 0.237 5 0 "[ . 1 . 2]" 1
1085 1 60 GLU HG2 1 61 LYS H . . 5.250 4.676 2.855 5.353 0.103 10 0 "[ . 1 . 2]" 1
1086 1 60 GLU HG3 1 61 LYS H . . 4.750 4.501 2.462 5.074 0.324 19 0 "[ . 1 . 2]" 1
1087 1 61 LYS H 1 61 LYS HB2 . . 3.810 3.435 2.363 3.856 0.046 10 0 "[ . 1 . 2]" 1
1088 1 61 LYS H 1 61 LYS HB3 . . 3.310 3.231 2.942 3.633 0.323 4 0 "[ . 1 . 2]" 1
1089 1 61 LYS H 1 61 LYS QE . . 5.500 4.571 3.728 5.216 . 0 0 "[ . 1 . 2]" 1
1090 1 61 LYS H 1 61 LYS HG2 . . 3.600 2.484 2.006 3.667 0.067 12 0 "[ . 1 . 2]" 1
1091 1 61 LYS H 1 61 LYS HG3 . . 3.820 2.912 2.318 3.223 . 0 0 "[ . 1 . 2]" 1
1092 1 61 LYS H 1 62 GLN H . . 3.310 2.156 1.929 2.394 . 0 0 "[ . 1 . 2]" 1
1093 1 61 LYS H 1 62 GLN QB . . 5.270 4.229 4.054 4.769 . 0 0 "[ . 1 . 2]" 1
1094 1 61 LYS H 1 62 GLN HE21 . . 5.490 3.790 3.436 4.956 . 0 0 "[ . 1 . 2]" 1
1095 1 61 LYS HA 1 61 LYS HB2 . . 2.860 2.621 2.442 3.032 0.172 5 0 "[ . 1 . 2]" 1
1096 1 61 LYS HA 1 61 LYS HG2 . . 3.590 3.457 2.485 3.791 0.201 17 0 "[ . 1 . 2]" 1
1097 1 61 LYS HA 1 61 LYS HG3 . . 3.660 3.634 2.959 3.850 0.190 3 0 "[ . 1 . 2]" 1
1098 1 61 LYS HB2 1 62 GLN HE21 . . 5.070 3.915 2.504 4.329 . 0 0 "[ . 1 . 2]" 1
1099 1 61 LYS QE 1 61 LYS HG3 . . 3.710 2.864 2.384 3.566 . 0 0 "[ . 1 . 2]" 1
1100 1 62 GLN H 1 62 GLN QB . . 3.510 2.480 2.356 2.924 . 0 0 "[ . 1 . 2]" 1
1101 1 62 GLN H 1 62 GLN HE21 . . 4.760 3.084 2.790 3.709 . 0 0 "[ . 1 . 2]" 1
1102 1 62 GLN H 1 62 GLN HG2 . . 3.860 2.436 1.660 2.744 . 0 0 "[ . 1 . 2]" 1
1103 1 62 GLN H 1 63 GLY H . . 3.040 2.421 2.105 2.607 . 0 0 "[ . 1 . 2]" 1
1104 1 62 GLN H 1 63 GLY HA3 . . 5.230 5.093 4.870 5.253 0.023 15 0 "[ . 1 . 2]" 1
1105 1 62 GLN HA 1 62 GLN HE21 . . 5.350 2.823 2.520 3.820 . 0 0 "[ . 1 . 2]" 1
1106 1 62 GLN HA 1 62 GLN HE22 . . 5.500 3.456 3.081 5.448 . 0 0 "[ . 1 . 2]" 1
1107 1 62 GLN HA 1 94 GLU H . . 4.410 3.957 3.515 4.368 . 0 0 "[ . 1 . 2]" 1
1108 1 62 GLN HA 1 94 GLU HB2 . . 3.190 2.821 2.044 3.279 0.089 14 0 "[ . 1 . 2]" 1
1109 1 62 GLN QB 1 62 GLN HE21 . . 4.220 3.323 1.567 3.578 . 0 0 "[ . 1 . 2]" 1
1110 1 62 GLN QB 1 62 GLN HE22 . . 4.480 4.065 3.050 4.236 . 0 0 "[ . 1 . 2]" 1
1111 1 62 GLN QB 1 63 GLY H . . 4.240 3.126 2.810 3.942 . 0 0 "[ . 1 . 2]" 1
1112 1 62 GLN QB 1 92 TYR QB . . 3.680 2.357 2.104 2.657 . 0 0 "[ . 1 . 2]" 1
1113 1 62 GLN QB 1 92 TYR QD . . 3.590 2.810 2.133 3.303 . 0 0 "[ . 1 . 2]" 1
1114 1 62 GLN HE21 1 95 GLY HA2 . . 5.500 5.530 4.741 5.758 0.258 11 0 "[ . 1 . 2]" 1
1115 1 62 GLN HE22 1 95 GLY HA2 . . 5.500 4.648 4.182 5.764 0.264 9 0 "[ . 1 . 2]" 1
1116 1 62 GLN HG2 1 63 GLY H . . 5.500 4.446 3.496 4.895 . 0 0 "[ . 1 . 2]" 1
1117 1 63 GLY H 1 64 GLU H . . 4.600 4.545 4.448 4.588 . 0 0 "[ . 1 . 2]" 1
1118 1 63 GLY H 1 92 TYR QB . . 5.500 4.254 3.993 4.583 . 0 0 "[ . 1 . 2]" 1
1119 1 63 GLY H 1 94 GLU HG3 . . 5.500 4.374 3.801 4.814 . 0 0 "[ . 1 . 2]" 1
1120 1 63 GLY HA2 1 64 GLU H . . 3.160 2.769 2.569 3.212 0.052 9 0 "[ . 1 . 2]" 1
1121 1 63 GLY HA2 1 64 GLU HB2 . . 4.700 4.763 4.463 5.658 0.958 14 1 "[ . 1 +. 2]" 1
1122 1 63 GLY HA2 1 93 GLU H . . 4.580 4.398 4.034 4.599 0.019 12 0 "[ . 1 . 2]" 1
1123 1 63 GLY HA2 1 93 GLU HB2 . . 3.950 3.557 2.761 4.127 0.177 14 0 "[ . 1 . 2]" 1
1124 1 63 GLY HA2 1 93 GLU HB3 . . 3.820 3.581 2.992 4.132 0.312 3 0 "[ . 1 . 2]" 1
1125 1 63 GLY HA2 1 94 GLU H . . 4.540 4.595 3.878 4.762 0.222 11 0 "[ . 1 . 2]" 1
1126 1 63 GLY HA2 1 94 GLU HG2 . . 5.280 5.291 4.767 5.461 0.181 2 0 "[ . 1 . 2]" 1
1127 1 63 GLY HA2 1 94 GLU HG3 . . 4.800 3.725 3.412 4.404 . 0 0 "[ . 1 . 2]" 1
1128 1 63 GLY HA3 1 64 GLU H . . 2.990 2.396 2.145 2.578 . 0 0 "[ . 1 . 2]" 1
1129 1 63 GLY HA3 1 64 GLU HB2 . . 4.960 4.926 4.586 5.783 0.823 14 1 "[ . 1 +. 2]" 1
1130 1 63 GLY HA3 1 92 TYR QD . . 5.500 4.596 4.076 5.162 . 0 0 "[ . 1 . 2]" 1
1131 1 63 GLY HA3 1 93 GLU HB3 . . 4.600 2.398 1.688 3.286 . 0 0 "[ . 1 . 2]" 1
1132 1 64 GLU H 1 64 GLU HB2 . . 3.070 2.695 2.264 3.491 0.421 14 0 "[ . 1 . 2]" 1
1133 1 64 GLU H 1 64 GLU HB3 . . 3.650 3.108 2.411 3.790 0.140 9 0 "[ . 1 . 2]" 1
1134 1 64 GLU H 1 65 PHE H . . 5.010 4.512 4.350 4.581 . 0 0 "[ . 1 . 2]" 1
1135 1 64 GLU H 1 92 TYR QB . . 5.500 3.841 2.832 4.491 . 0 0 "[ . 1 . 2]" 1
1136 1 64 GLU H 1 92 TYR QD . . 5.500 4.169 3.742 4.693 . 0 0 "[ . 1 . 2]" 1
1137 1 64 GLU H 1 93 GLU H . . 4.810 2.907 2.207 3.506 . 0 0 "[ . 1 . 2]" 1
1138 1 64 GLU H 1 93 GLU HB2 . . 3.450 2.312 1.802 2.721 . 0 0 "[ . 1 . 2]" 1
1139 1 64 GLU H 1 93 GLU HB3 . . 3.710 3.281 2.694 3.911 0.201 9 0 "[ . 1 . 2]" 1
1140 1 64 GLU H 1 94 GLU H . . 5.050 4.752 4.147 5.077 0.027 4 0 "[ . 1 . 2]" 1
1141 1 64 GLU HA 1 64 GLU HG2 . . 3.690 3.186 2.514 3.851 0.161 1 0 "[ . 1 . 2]" 1
1142 1 64 GLU HA 1 64 GLU HG3 . . 3.880 2.855 2.543 3.875 . 0 0 "[ . 1 . 2]" 1
1143 1 64 GLU HA 1 65 PHE H . . 2.640 2.267 2.166 2.421 . 0 0 "[ . 1 . 2]" 1
1144 1 64 GLU HA 1 65 PHE HB2 . . 4.890 4.868 4.627 4.993 0.103 15 0 "[ . 1 . 2]" 1
1145 1 64 GLU HA 1 92 TYR QD . . 3.790 2.899 2.491 3.515 . 0 0 "[ . 1 . 2]" 1
1146 1 64 GLU HA 1 92 TYR QE . . 4.510 3.877 3.475 4.378 . 0 0 "[ . 1 . 2]" 1
1147 1 64 GLU HB2 1 65 PHE H . . 3.770 3.841 2.666 4.038 0.268 10 0 "[ . 1 . 2]" 1
1148 1 64 GLU HB3 1 65 PHE H . . 3.790 3.230 2.264 3.911 0.121 1 0 "[ . 1 . 2]" 1
1149 1 64 GLU HG3 1 65 PHE H . . 4.250 3.600 2.478 4.605 0.355 2 0 "[ . 1 . 2]" 1
1150 1 65 PHE H 1 65 PHE HB2 . . 3.190 2.921 2.755 3.066 . 0 0 "[ . 1 . 2]" 1
1151 1 65 PHE H 1 65 PHE HB3 . . 3.250 2.262 2.161 2.366 . 0 0 "[ . 1 . 2]" 1
1152 1 65 PHE H 1 65 PHE QD . . 4.630 4.117 4.005 4.209 . 0 0 "[ . 1 . 2]" 1
1153 1 65 PHE H 1 66 LYS H . . 5.100 4.520 4.442 4.575 . 0 0 "[ . 1 . 2]" 1
1154 1 65 PHE H 1 66 LYS QG . . 5.500 4.941 4.781 5.089 . 0 0 "[ . 1 . 2]" 1
1155 1 65 PHE H 1 92 TYR HA . . 5.410 4.527 4.125 4.975 . 0 0 "[ . 1 . 2]" 1
1156 1 65 PHE H 1 92 TYR QD . . 3.410 2.845 2.536 3.131 . 0 0 "[ . 1 . 2]" 1
1157 1 65 PHE H 1 92 TYR QE . . 4.440 3.169 2.774 3.548 . 0 0 "[ . 1 . 2]" 1
1158 1 65 PHE HA 1 65 PHE QD . . 3.310 2.813 2.619 3.060 . 0 0 "[ . 1 . 2]" 1
1159 1 65 PHE HA 1 66 LYS H . . 2.970 2.143 2.070 2.189 . 0 0 "[ . 1 . 2]" 1
1160 1 65 PHE HA 1 66 LYS HB2 . . 5.400 4.788 4.497 5.595 0.195 18 0 "[ . 1 . 2]" 1
1161 1 65 PHE HA 1 67 GLU H . . 4.400 3.713 3.524 3.927 . 0 0 "[ . 1 . 2]" 1
1162 1 65 PHE HA 1 90 VAL QG . . 4.840 3.067 2.635 3.349 . 0 0 "[ . 1 . 2]" 1
1163 1 65 PHE HA 1 92 TYR H . . 4.960 4.590 4.241 5.016 0.056 14 0 "[ . 1 . 2]" 1
1164 1 65 PHE HA 1 92 TYR HA . . 3.360 2.443 2.241 2.785 . 0 0 "[ . 1 . 2]" 1
1165 1 65 PHE HA 1 92 TYR QD . . 2.800 2.624 1.806 3.105 0.305 18 0 "[ . 1 . 2]" 1
1166 1 65 PHE HA 1 92 TYR QE . . 3.550 3.548 3.011 3.750 0.200 18 0 "[ . 1 . 2]" 1
1167 1 65 PHE HB2 1 66 LYS H . . 5.110 4.040 3.859 4.192 . 0 0 "[ . 1 . 2]" 1
1168 1 65 PHE HB2 1 90 VAL QG . . 4.440 2.894 2.184 3.515 . 0 0 "[ . 1 . 2]" 1
1169 1 65 PHE HB3 1 66 LYS H . . 4.520 4.415 4.288 4.485 . 0 0 "[ . 1 . 2]" 1
1170 1 65 PHE HB3 1 67 GLU H . . 5.500 5.623 5.519 5.800 0.300 12 0 "[ . 1 . 2]" 1
1171 1 65 PHE HB3 1 90 VAL QG . . 5.500 4.204 3.578 4.760 . 0 0 "[ . 1 . 2]" 1
1172 1 65 PHE HB3 1 92 TYR QD . . 4.570 4.205 3.783 4.662 0.092 15 0 "[ . 1 . 2]" 1
1173 1 65 PHE HB3 1 92 TYR QE . . 3.650 3.594 3.336 3.894 0.244 9 0 "[ . 1 . 2]" 1
1174 1 65 PHE QD 1 66 LYS H . . 3.800 3.019 2.567 3.271 . 0 0 "[ . 1 . 2]" 1
1175 1 65 PHE QD 1 90 VAL QG . . 2.800 1.872 1.592 2.487 . 0 0 "[ . 1 . 2]" 1
1176 1 65 PHE QE 1 66 LYS H . . 4.440 4.383 4.069 4.573 0.133 17 0 "[ . 1 . 2]" 1
1177 1 65 PHE QE 1 67 GLU H . . 4.990 3.400 3.138 3.547 . 0 0 "[ . 1 . 2]" 1
1178 1 65 PHE QE 1 67 GLU HA . . 3.750 3.257 2.520 3.701 . 0 0 "[ . 1 . 2]" 1
1179 1 65 PHE QE 1 68 PHE H . . 4.080 3.463 3.036 4.095 0.015 6 0 "[ . 1 . 2]" 1
1180 1 65 PHE QE 1 68 PHE QD . . 4.450 3.236 3.058 3.495 . 0 0 "[ . 1 . 2]" 1
1181 1 65 PHE QE 1 90 VAL HA . . 5.100 4.344 3.939 4.731 . 0 0 "[ . 1 . 2]" 1
1182 1 65 PHE QE 1 90 VAL QG . . 3.470 2.898 2.648 3.375 . 0 0 "[ . 1 . 2]" 1
1183 1 65 PHE QE 1 91 LYS H . . 5.500 4.576 4.279 4.865 . 0 0 "[ . 1 . 2]" 1
1184 1 66 LYS H 1 66 LYS HB2 . . 3.820 2.842 2.580 3.857 0.037 10 0 "[ . 1 . 2]" 1
1185 1 66 LYS H 1 66 LYS HB3 . . 3.950 3.729 3.390 3.847 . 0 0 "[ . 1 . 2]" 1
1186 1 66 LYS H 1 66 LYS QG . . 3.460 2.687 2.180 3.042 . 0 0 "[ . 1 . 2]" 1
1187 1 66 LYS H 1 67 GLU H . . 3.160 1.911 1.754 2.038 . 0 0 "[ . 1 . 2]" 1
1188 1 66 LYS H 1 90 VAL QG . . 5.440 3.554 3.147 3.838 . 0 0 "[ . 1 . 2]" 1
1189 1 66 LYS H 1 91 LYS H . . 5.500 4.808 4.340 5.244 . 0 0 "[ . 1 . 2]" 1
1190 1 66 LYS H 1 92 TYR HA . . 3.310 2.717 2.412 3.036 . 0 0 "[ . 1 . 2]" 1
1191 1 66 LYS H 1 92 TYR QD . . 4.800 4.358 3.538 4.679 . 0 0 "[ . 1 . 2]" 1
1192 1 66 LYS H 1 93 GLU H . . 4.690 4.635 4.306 4.801 0.111 16 0 "[ . 1 . 2]" 1
1193 1 66 LYS HA 1 66 LYS QD . . 3.590 2.428 1.900 3.883 0.293 14 0 "[ . 1 . 2]" 1
1194 1 66 LYS HA 1 66 LYS QG . . 3.180 3.153 3.004 3.448 0.268 14 0 "[ . 1 . 2]" 1
1195 1 66 LYS HB2 1 67 GLU HA . . 5.180 4.809 4.370 5.201 0.021 18 0 "[ . 1 . 2]" 1
1196 1 66 LYS HB2 1 67 GLU QB . . 4.710 3.304 2.678 4.408 . 0 0 "[ . 1 . 2]" 1
1197 1 66 LYS HB2 1 92 TYR HA . . 5.100 4.191 3.589 5.430 0.330 18 0 "[ . 1 . 2]" 1
1198 1 66 LYS QD 1 67 GLU H . . 4.790 4.520 2.608 4.934 0.144 6 0 "[ . 1 . 2]" 1
1199 1 66 LYS QD 1 92 TYR HA . . 5.180 4.460 3.169 5.223 0.043 2 0 "[ . 1 . 2]" 1
1200 1 66 LYS QD 1 93 GLU H . . 5.000 4.287 3.414 5.244 0.244 2 0 "[ . 1 . 2]" 1
1201 1 66 LYS QD 1 93 GLU QG . . 4.760 3.508 1.910 4.817 0.057 10 0 "[ . 1 . 2]" 1
1202 1 66 LYS HE2 1 66 LYS QG . . 3.610 2.589 2.383 3.508 . 0 0 "[ . 1 . 2]" 1
1203 1 66 LYS HE3 1 66 LYS QG . . 3.860 2.844 2.429 3.383 . 0 0 "[ . 1 . 2]" 1
1204 1 66 LYS QG 1 92 TYR HA . . 3.560 2.906 2.392 3.596 0.036 2 0 "[ . 1 . 2]" 1
1205 1 66 LYS QG 1 93 GLU H . . 4.010 3.029 2.725 3.414 . 0 0 "[ . 1 . 2]" 1
1206 1 66 LYS QG 1 93 GLU HA . . 3.470 2.713 2.088 3.439 . 0 0 "[ . 1 . 2]" 1
1207 1 66 LYS QG 1 93 GLU QG . . 4.650 3.121 2.131 4.411 . 0 0 "[ . 1 . 2]" 1
1208 1 67 GLU H 1 67 GLU HG3 . . 4.350 4.480 3.493 4.882 0.532 14 2 "[ . 1 +. - 2]" 1
1209 1 67 GLU H 1 68 PHE H . . 5.240 4.329 4.222 4.385 . 0 0 "[ . 1 . 2]" 1
1210 1 67 GLU H 1 90 VAL QG . . 4.900 3.466 3.092 3.786 . 0 0 "[ . 1 . 2]" 1
1211 1 67 GLU H 1 91 LYS H . . 3.960 3.718 3.259 4.077 0.117 14 0 "[ . 1 . 2]" 1
1212 1 67 GLU H 1 91 LYS QB . . 3.900 3.407 2.860 3.944 0.044 14 0 "[ . 1 . 2]" 1
1213 1 67 GLU H 1 92 TYR HA . . 4.850 4.095 3.601 4.460 . 0 0 "[ . 1 . 2]" 1
1214 1 67 GLU HA 1 68 PHE H . . 2.750 2.367 2.230 2.621 . 0 0 "[ . 1 . 2]" 1
1215 1 67 GLU HA 1 68 PHE HB2 . . 4.700 4.675 4.555 4.782 0.082 5 0 "[ . 1 . 2]" 1
1216 1 67 GLU HA 1 68 PHE QD . . 4.710 4.692 4.204 4.890 0.180 11 0 "[ . 1 . 2]" 1
1217 1 67 GLU QB 1 67 GLU HG3 . . 2.400 2.383 2.167 2.430 0.030 4 0 "[ . 1 . 2]" 1
1218 1 67 GLU QB 1 68 PHE H . . 4.030 3.403 2.054 3.659 . 0 0 "[ . 1 . 2]" 1
1219 1 67 GLU HG2 1 68 PHE H . . 4.820 3.711 2.224 4.526 . 0 0 "[ . 1 . 2]" 1
1220 1 67 GLU HG2 1 91 LYS H . . 5.500 4.735 3.787 5.148 . 0 0 "[ . 1 . 2]" 1
1221 1 67 GLU HG3 1 91 LYS H . . 4.920 4.300 3.593 5.666 0.746 17 4 "[* * 1 . +- 2]" 1
1222 1 68 PHE H 1 68 PHE HB2 . . 3.270 2.486 2.420 2.590 . 0 0 "[ . 1 . 2]" 1
1223 1 68 PHE H 1 68 PHE HB3 . . 3.620 3.687 3.643 3.744 0.124 8 0 "[ . 1 . 2]" 1
1224 1 68 PHE H 1 68 PHE QD . . 3.920 3.473 2.897 3.745 . 0 0 "[ . 1 . 2]" 1
1225 1 68 PHE HB2 1 88 ILE MD . . 4.460 3.439 3.089 4.010 . 0 0 "[ . 1 . 2]" 1
1226 1 68 PHE HB3 1 69 GLY H . . 3.980 2.876 1.990 3.687 . 0 0 "[ . 1 . 2]" 1
1227 1 68 PHE HB3 1 88 ILE MD . . 4.740 2.508 1.985 3.004 . 0 0 "[ . 1 . 2]" 1
1228 1 68 PHE HB3 1 90 VAL HA . . 5.370 4.087 3.578 4.606 . 0 0 "[ . 1 . 2]" 1
1229 1 68 PHE QD 1 69 GLY H . . 3.900 3.621 3.230 3.920 0.020 1 0 "[ . 1 . 2]" 1
1230 1 68 PHE QD 1 88 ILE MD . . 3.090 3.044 2.802 3.208 0.118 19 0 "[ . 1 . 2]" 1
1231 1 68 PHE QD 1 88 ILE MG . . 4.340 4.297 3.952 4.483 0.143 14 0 "[ . 1 . 2]" 1
1232 1 68 PHE QD 1 90 VAL HA . . 4.580 2.474 1.895 2.996 . 0 0 "[ . 1 . 2]" 1
1233 1 68 PHE QD 1 90 VAL QG . . 3.480 2.377 1.805 2.948 . 0 0 "[ . 1 . 2]" 1
1234 1 68 PHE QD 1 91 LYS H . . 5.500 4.169 3.485 4.622 . 0 0 "[ . 1 . 2]" 1
1235 1 68 PHE QE 1 88 ILE MG . . 4.860 4.385 4.093 4.728 . 0 0 "[ . 1 . 2]" 1
1236 1 68 PHE QE 1 90 VAL QG . . 3.230 2.254 1.709 2.875 . 0 0 "[ . 1 . 2]" 1
1237 1 69 GLY H 1 70 LYS H . . 4.310 3.814 3.180 4.243 . 0 0 "[ . 1 . 2]" 1
1238 1 69 GLY H 1 88 ILE MD . . 5.130 4.589 3.306 5.268 0.138 11 0 "[ . 1 . 2]" 1
1239 1 69 GLY H 1 89 VAL H . . 5.130 4.195 3.710 4.721 . 0 0 "[ . 1 . 2]" 1
1240 1 69 GLY H 1 89 VAL HB . . 4.240 3.905 2.766 4.732 0.492 17 0 "[ . 1 . 2]" 1
1241 1 69 GLY H 1 89 VAL QG . . 5.410 2.579 1.929 3.495 . 0 0 "[ . 1 . 2]" 1
1242 1 69 GLY H 1 90 VAL HA . . 3.860 2.997 2.131 3.852 . 0 0 "[ . 1 . 2]" 1
1243 1 69 GLY H 1 90 VAL QG . . 5.500 4.249 3.705 4.630 . 0 0 "[ . 1 . 2]" 1
1244 1 69 GLY H 1 91 LYS H . . 4.760 3.605 2.717 4.454 . 0 0 "[ . 1 . 2]" 1
1245 1 69 GLY QA 1 70 LYS H . . 3.010 2.124 2.078 2.200 . 0 0 "[ . 1 . 2]" 1
1246 1 69 GLY QA 1 70 LYS HA . . 5.500 3.998 3.910 4.072 . 0 0 "[ . 1 . 2]" 1
1247 1 69 GLY QA 1 70 LYS QB . . 4.470 3.866 3.632 4.107 . 0 0 "[ . 1 . 2]" 1
1248 1 69 GLY QA 1 89 VAL H . . 5.300 4.299 3.864 4.652 . 0 0 "[ . 1 . 2]" 1
1249 1 69 GLY QA 1 89 VAL HB . . 3.630 3.202 2.045 4.544 0.914 6 7 "[ .+** 1 - * * *]" 1
1250 1 69 GLY QA 1 89 VAL QG . . 3.960 1.947 1.644 2.390 . 0 0 "[ . 1 . 2]" 1
1251 1 69 GLY QA 1 91 LYS H . . 5.500 4.275 3.620 5.089 . 0 0 "[ . 1 . 2]" 1
1252 1 69 GLY QA 1 91 LYS HE2 . . 5.120 3.383 1.898 4.345 . 0 0 "[ . 1 . 2]" 1
1253 1 70 LYS H 1 70 LYS QB . . 2.760 2.317 2.078 2.653 . 0 0 "[ . 1 . 2]" 1
1254 1 70 LYS H 1 70 LYS QG . . 4.010 3.502 2.372 4.187 0.177 13 0 "[ . 1 . 2]" 1
1255 1 70 LYS H 1 88 ILE HA . . 5.500 5.192 4.337 5.596 0.096 4 0 "[ . 1 . 2]" 1
1256 1 70 LYS H 1 89 VAL HB . . 3.450 3.098 2.020 4.599 1.149 14 6 "[ .* * *+. * -]" 1
1257 1 70 LYS H 1 89 VAL QG . . 3.910 2.194 1.415 2.940 . 0 0 "[ . 1 . 2]" 1
1258 1 70 LYS HA 1 70 LYS QD . . 4.660 3.588 1.949 4.145 . 0 0 "[ . 1 . 2]" 1
1259 1 70 LYS HA 1 70 LYS QG . . 3.750 2.554 2.338 3.113 . 0 0 "[ . 1 . 2]" 1
1260 1 70 LYS HA 1 71 CYS H . . 2.500 2.322 2.097 2.609 0.109 10 0 "[ . 1 . 2]" 1
1261 1 70 LYS HA 1 71 CYS HA . . 4.750 4.473 4.397 4.556 . 0 0 "[ . 1 . 2]" 1
1262 1 70 LYS HA 1 71 CYS HB2 . . 4.710 4.830 4.541 5.596 0.886 12 2 "[ . 1 + - 2]" 1
1263 1 70 LYS QB 1 71 CYS H . . 3.490 3.045 2.011 3.734 0.244 12 0 "[ . 1 . 2]" 1
1264 1 70 LYS QB 1 89 VAL H . . 5.500 4.290 3.631 4.883 . 0 0 "[ . 1 . 2]" 1
1265 1 70 LYS QB 1 89 VAL QG . . 3.410 2.746 2.233 3.256 . 0 0 "[ . 1 . 2]" 1
1266 1 70 LYS QD 1 71 CYS H . . 4.370 3.984 2.274 4.600 0.230 16 0 "[ . 1 . 2]" 1
1267 1 70 LYS QE 1 70 LYS QG . . 3.040 2.264 2.171 2.428 . 0 0 "[ . 1 . 2]" 1
1268 1 70 LYS QG 1 71 CYS H . . 3.730 3.090 2.055 4.023 0.293 11 0 "[ . 1 . 2]" 1
1269 1 71 CYS H 1 71 CYS HB2 . . 3.420 2.998 2.734 3.678 0.258 15 0 "[ . 1 . 2]" 1
1270 1 71 CYS H 1 71 CYS HB3 . . 3.790 3.668 2.579 3.918 0.128 16 0 "[ . 1 . 2]" 1
1271 1 71 CYS H 1 72 THR H . . 5.130 3.979 3.590 4.478 . 0 0 "[ . 1 . 2]" 1
1272 1 71 CYS H 1 72 THR HA . . 5.130 4.905 4.610 5.193 0.063 12 0 "[ . 1 . 2]" 1
1273 1 71 CYS H 1 88 ILE HA . . 5.320 4.590 4.464 4.713 . 0 0 "[ . 1 . 2]" 1
1274 1 71 CYS HA 1 72 THR H . . 2.840 2.146 2.002 2.226 . 0 0 "[ . 1 . 2]" 1
1275 1 71 CYS HA 1 72 THR HA . . 4.570 4.488 4.422 4.559 . 0 0 "[ . 1 . 2]" 1
1276 1 71 CYS HA 1 72 THR HB . . 5.330 4.553 4.245 4.804 . 0 0 "[ . 1 . 2]" 1
1277 1 71 CYS HA 1 72 THR MG . . 5.500 5.496 5.333 5.567 0.067 20 0 "[ . 1 . 2]" 1
1278 1 71 CYS HA 1 86 VAL MG2 . . 5.100 3.316 2.970 3.905 . 0 0 "[ . 1 . 2]" 1
1279 1 71 CYS HA 1 88 ILE HA . . 3.240 2.188 1.937 2.419 . 0 0 "[ . 1 . 2]" 1
1280 1 71 CYS HA 1 88 ILE HB . . 3.900 3.488 3.034 3.851 . 0 0 "[ . 1 . 2]" 1
1281 1 71 CYS HA 1 88 ILE MD . . 5.500 4.808 4.447 5.292 . 0 0 "[ . 1 . 2]" 1
1282 1 71 CYS HA 1 89 VAL H . . 4.170 3.452 3.109 3.870 . 0 0 "[ . 1 . 2]" 1
1283 1 71 CYS HB2 1 72 THR H . . 4.110 4.157 3.276 4.355 0.245 5 0 "[ . 1 . 2]" 1
1284 1 71 CYS HB2 1 86 VAL MG2 . . 3.970 3.225 2.357 3.590 . 0 0 "[ . 1 . 2]" 1
1285 1 71 CYS HB2 1 87 ILE H . . 5.500 5.692 5.519 5.857 0.357 19 0 "[ . 1 . 2]" 1
1286 1 71 CYS HB2 1 88 ILE HA . . 4.550 4.280 2.596 4.695 0.145 7 0 "[ . 1 . 2]" 1
1287 1 71 CYS HB2 1 88 ILE HB . . 4.520 4.113 2.504 4.660 0.140 5 0 "[ . 1 . 2]" 1
1288 1 71 CYS HB3 1 72 THR H . . 3.870 3.859 2.969 4.352 0.482 11 0 "[ . 1 . 2]" 1
1289 1 71 CYS HB3 1 86 VAL MG2 . . 3.690 2.356 1.830 4.106 0.416 11 0 "[ . 1 . 2]" 1
1290 1 71 CYS HB3 1 88 ILE HA . . 4.470 3.451 3.101 4.176 . 0 0 "[ . 1 . 2]" 1
1291 1 71 CYS HB3 1 88 ILE HB . . 4.400 3.000 2.330 4.472 0.072 11 0 "[ . 1 . 2]" 1
1292 1 72 THR H 1 72 THR HB . . 3.600 2.548 2.371 2.876 . 0 0 "[ . 1 . 2]" 1
1293 1 72 THR H 1 72 THR MG . . 3.990 3.835 3.749 3.995 0.005 9 0 "[ . 1 . 2]" 1
1294 1 72 THR H 1 86 VAL MG2 . . 4.350 3.805 2.721 4.263 . 0 0 "[ . 1 . 2]" 1
1295 1 72 THR H 1 87 ILE H . . 3.510 3.227 2.439 3.581 0.071 10 0 "[ . 1 . 2]" 1
1296 1 72 THR H 1 87 ILE HB . . 4.000 2.955 2.543 3.364 . 0 0 "[ . 1 . 2]" 1
1297 1 72 THR H 1 87 ILE MD . . 5.080 4.701 4.249 5.091 0.011 19 0 "[ . 1 . 2]" 1
1298 1 72 THR H 1 88 ILE HA . . 4.020 3.786 3.297 4.069 0.049 16 0 "[ . 1 . 2]" 1
1299 1 72 THR H 1 89 VAL H . . 5.150 4.694 4.268 5.258 0.108 9 0 "[ . 1 . 2]" 1
1300 1 72 THR HA 1 72 THR MG . . 3.150 2.466 2.342 2.607 . 0 0 "[ . 1 . 2]" 1
1301 1 72 THR HA 1 73 TYR H . . 2.820 2.265 2.142 2.418 . 0 0 "[ . 1 . 2]" 1
1302 1 72 THR HA 1 73 TYR QE . . 5.110 5.012 4.593 5.231 0.121 18 0 "[ . 1 . 2]" 1
1303 1 72 THR HA 1 86 VAL MG2 . . 5.500 4.920 4.098 5.405 . 0 0 "[ . 1 . 2]" 1
1304 1 72 THR HA 1 87 ILE H . . 5.500 4.562 4.334 5.012 . 0 0 "[ . 1 . 2]" 1
1305 1 72 THR HA 1 87 ILE HB . . 5.310 4.661 4.459 4.947 . 0 0 "[ . 1 . 2]" 1
1306 1 72 THR HB 1 73 TYR H . . 3.870 4.101 3.944 4.312 0.442 8 0 "[ . 1 . 2]" 1
1307 1 72 THR HB 1 74 LEU MD1 . . 4.540 4.465 4.088 4.708 0.168 12 0 "[ . 1 . 2]" 1
1308 1 72 THR HB 1 87 ILE H . . 4.280 3.107 2.486 3.912 . 0 0 "[ . 1 . 2]" 1
1309 1 72 THR HB 1 87 ILE HB . . 3.320 1.946 1.583 2.459 . 0 0 "[ . 1 . 2]" 1
1310 1 72 THR HB 1 87 ILE MD . . 4.180 2.824 2.388 3.148 . 0 0 "[ . 1 . 2]" 1
1311 1 72 THR HB 1 87 ILE HG12 . . 4.940 4.660 4.317 5.022 0.082 15 0 "[ . 1 . 2]" 1
1312 1 72 THR MG 1 73 TYR H . . 3.380 2.697 2.328 3.276 . 0 0 "[ . 1 . 2]" 1
1313 1 72 THR MG 1 73 TYR HA . . 5.500 3.934 3.546 4.588 . 0 0 "[ . 1 . 2]" 1
1314 1 72 THR MG 1 73 TYR QD . . 5.350 4.782 4.592 4.954 . 0 0 "[ . 1 . 2]" 1
1315 1 72 THR MG 1 74 LEU MD1 . . 3.330 3.478 3.186 3.659 0.329 4 0 "[ . 1 . 2]" 1
1316 1 72 THR MG 1 87 ILE H . . 5.360 3.913 3.204 4.645 . 0 0 "[ . 1 . 2]" 1
1317 1 73 TYR H 1 73 TYR HB2 . . 3.470 2.722 2.594 2.876 . 0 0 "[ . 1 . 2]" 1
1318 1 73 TYR H 1 73 TYR HB3 . . 4.070 3.732 3.631 3.828 . 0 0 "[ . 1 . 2]" 1
1319 1 73 TYR H 1 73 TYR QD . . 3.480 2.858 2.275 3.380 . 0 0 "[ . 1 . 2]" 1
1320 1 73 TYR H 1 74 LEU H . . 4.590 4.430 4.286 4.552 . 0 0 "[ . 1 . 2]" 1
1321 1 73 TYR H 1 74 LEU MD1 . . 5.500 5.476 4.803 5.832 0.332 18 0 "[ . 1 . 2]" 1
1322 1 73 TYR HA 1 73 TYR QD . . 3.020 2.769 2.502 2.982 . 0 0 "[ . 1 . 2]" 1
1323 1 73 TYR HA 1 74 LEU H . . 2.940 2.187 2.075 2.429 . 0 0 "[ . 1 . 2]" 1
1324 1 73 TYR HA 1 74 LEU MD2 . . 4.920 2.724 2.075 4.015 . 0 0 "[ . 1 . 2]" 1
1325 1 73 TYR HA 1 86 VAL HB . . 4.680 3.506 3.002 3.857 . 0 0 "[ . 1 . 2]" 1
1326 1 73 TYR HB2 1 74 LEU H . . 4.100 3.756 3.530 3.913 . 0 0 "[ . 1 . 2]" 1
1327 1 73 TYR HB3 1 74 LEU H . . 3.630 2.711 2.393 2.953 . 0 0 "[ . 1 . 2]" 1
1328 1 73 TYR QD 1 74 LEU H . . 3.630 3.845 3.695 4.041 0.411 3 0 "[ . 1 . 2]" 1
1329 1 73 TYR QD 1 85 GLY H . . 5.500 5.004 4.375 5.633 0.133 12 0 "[ . 1 . 2]" 1
1330 1 73 TYR QD 1 86 VAL H . . 5.500 5.045 4.578 5.403 . 0 0 "[ . 1 . 2]" 1
1331 1 73 TYR QD 1 86 VAL HA . . 4.400 3.224 2.827 3.550 . 0 0 "[ . 1 . 2]" 1
1332 1 73 TYR QD 1 86 VAL HB . . 3.540 2.314 1.934 2.647 . 0 0 "[ . 1 . 2]" 1
1333 1 73 TYR QD 1 86 VAL MG1 . . 4.130 3.916 3.465 4.210 0.080 19 0 "[ . 1 . 2]" 1
1334 1 73 TYR QD 1 86 VAL MG2 . . 4.270 3.141 2.825 3.451 . 0 0 "[ . 1 . 2]" 1
1335 1 73 TYR QD 1 87 ILE H . . 5.500 4.946 4.635 5.283 . 0 0 "[ . 1 . 2]" 1
1336 1 73 TYR QE 1 86 VAL HB . . 3.650 3.063 2.609 3.685 0.035 17 0 "[ . 1 . 2]" 1
1337 1 73 TYR QE 1 86 VAL MG1 . . 4.490 3.973 3.326 4.564 0.074 17 0 "[ . 1 . 2]" 1
1338 1 73 TYR QE 1 86 VAL MG2 . . 3.390 2.777 2.473 3.072 . 0 0 "[ . 1 . 2]" 1
1339 1 74 LEU H 1 74 LEU MD1 . . 4.160 3.942 3.366 4.375 0.215 6 0 "[ . 1 . 2]" 1
1340 1 74 LEU H 1 74 LEU MD2 . . 4.010 2.440 2.011 3.828 . 0 0 "[ . 1 . 2]" 1
1341 1 74 LEU H 1 74 LEU HG . . 3.690 3.495 2.868 4.102 0.412 9 0 "[ . 1 . 2]" 1
1342 1 74 LEU H 1 75 GLY H . . 5.270 4.403 4.284 4.510 . 0 0 "[ . 1 . 2]" 1
1343 1 74 LEU H 1 85 GLY H . . 3.690 2.940 2.683 3.482 . 0 0 "[ . 1 . 2]" 1
1344 1 74 LEU H 1 85 GLY HA3 . . 4.950 3.265 2.647 3.736 . 0 0 "[ . 1 . 2]" 1
1345 1 74 LEU HA 1 74 LEU MD1 . . 4.050 3.377 2.252 4.155 0.105 11 0 "[ . 1 . 2]" 1
1346 1 74 LEU HA 1 75 GLY H . . 2.970 2.402 2.252 2.677 . 0 0 "[ . 1 . 2]" 1
1347 1 74 LEU HB2 1 74 LEU MD1 . . 3.650 2.683 2.264 3.267 . 0 0 "[ . 1 . 2]" 1
1348 1 74 LEU HB2 1 75 GLY H . . 3.460 2.938 1.914 3.612 0.152 3 0 "[ . 1 . 2]" 1
1349 1 74 LEU HB2 1 85 GLY HA3 . . 4.770 2.812 1.715 4.443 . 0 0 "[ . 1 . 2]" 1
1350 1 74 LEU HB3 1 75 GLY H . . 3.080 2.817 2.258 3.420 0.340 2 0 "[ . 1 . 2]" 1
1351 1 74 LEU HB3 1 85 GLY H . . 5.280 4.761 3.889 5.630 0.350 18 0 "[ . 1 . 2]" 1
1352 1 74 LEU HB3 1 85 GLY HA3 . . 4.770 4.113 3.439 4.996 0.226 12 0 "[ . 1 . 2]" 1
1353 1 74 LEU MD1 1 75 GLY H . . 5.150 4.010 3.555 4.622 . 0 0 "[ . 1 . 2]" 1
1354 1 74 LEU MD1 1 85 GLY HA3 . . 4.370 3.722 2.478 4.510 0.140 15 0 "[ . 1 . 2]" 1
1355 1 74 LEU MD1 1 87 ILE H . . 4.190 4.146 3.518 4.364 0.174 2 0 "[ . 1 . 2]" 1
1356 1 74 LEU MD1 1 87 ILE MD . . 2.400 2.246 1.985 2.503 0.103 19 0 "[ . 1 . 2]" 1
1357 1 74 LEU MD1 1 87 ILE HG12 . . 3.550 3.389 2.645 3.743 0.193 9 0 "[ . 1 . 2]" 1
1358 1 74 LEU MD2 1 75 GLY H . . 4.850 4.528 3.681 4.865 0.015 3 0 "[ . 1 . 2]" 1
1359 1 74 LEU MD2 1 85 GLY HA3 . . 4.370 2.965 1.882 4.604 0.234 17 0 "[ . 1 . 2]" 1
1360 1 74 LEU MD2 1 86 VAL HA . . 4.030 2.835 2.220 4.224 0.194 4 0 "[ . 1 . 2]" 1
1361 1 74 LEU MD2 1 87 ILE HG12 . . 3.740 3.293 2.767 3.963 0.223 1 0 "[ . 1 . 2]" 1
1362 1 74 LEU HG 1 75 GLY H . . 4.970 4.492 3.629 4.996 0.026 4 0 "[ . 1 . 2]" 1
1363 1 74 LEU HG 1 85 GLY H . . 4.850 4.456 3.424 5.133 0.283 5 0 "[ . 1 . 2]" 1
1364 1 74 LEU HG 1 85 GLY HA2 . . 4.910 4.479 3.523 5.090 0.180 16 0 "[ . 1 . 2]" 1
1365 1 74 LEU HG 1 85 GLY HA3 . . 4.330 2.906 1.871 3.663 . 0 0 "[ . 1 . 2]" 1
1366 1 75 GLY H 1 76 GLN H . . 4.940 4.381 4.284 4.483 . 0 0 "[ . 1 . 2]" 1
1367 1 75 GLY HA2 1 76 GLN H . . 3.380 2.326 2.228 2.441 . 0 0 "[ . 1 . 2]" 1
1368 1 75 GLY HA2 1 76 GLN QG . . 5.500 3.271 2.960 3.712 . 0 0 "[ . 1 . 2]" 1
1369 1 75 GLY HA2 1 84 GLY HA2 . . 4.280 2.600 2.195 2.968 . 0 0 "[ . 1 . 2]" 1
1370 1 75 GLY HA2 1 84 GLY HA3 . . 5.200 4.302 3.802 4.726 . 0 0 "[ . 1 . 2]" 1
1371 1 75 GLY HA3 1 76 GLN H . . 3.380 2.798 2.626 2.931 . 0 0 "[ . 1 . 2]" 1
1372 1 75 GLY HA3 1 76 GLN QG . . 5.090 4.246 4.094 4.495 . 0 0 "[ . 1 . 2]" 1
1373 1 76 GLN H 1 76 GLN HB2 . . 3.690 3.592 2.984 3.921 0.231 6 0 "[ . 1 . 2]" 1
1374 1 76 GLN H 1 76 GLN QG . . 3.520 2.761 2.527 3.230 . 0 0 "[ . 1 . 2]" 1
1375 1 76 GLN H 1 83 TYR HB2 . . 4.320 3.646 3.125 4.047 . 0 0 "[ . 1 . 2]" 1
1376 1 76 GLN H 1 83 TYR HB3 . . 5.150 4.799 4.313 5.271 0.121 2 0 "[ . 1 . 2]" 1
1377 1 76 GLN H 1 83 TYR QD . . 5.500 4.986 4.349 5.350 . 0 0 "[ . 1 . 2]" 1
1378 1 76 GLN HA 1 76 GLN QG . . 3.630 3.124 2.704 3.346 . 0 0 "[ . 1 . 2]" 1
1379 1 76 GLN HA 1 77 ILE H . . 2.630 2.248 2.152 2.340 . 0 0 "[ . 1 . 2]" 1
1380 1 76 GLN HB2 1 76 GLN QG . . 2.620 2.396 2.346 2.434 . 0 0 "[ . 1 . 2]" 1
1381 1 76 GLN HB2 1 77 ILE H . . 3.670 3.380 2.821 3.806 0.136 20 0 "[ . 1 . 2]" 1
1382 1 76 GLN HB2 1 83 TYR HB2 . . 3.880 2.482 1.462 3.096 . 0 0 "[ . 1 . 2]" 1
1383 1 76 GLN HB2 1 83 TYR HB3 . . 4.120 3.920 2.905 4.426 0.306 5 0 "[ . 1 . 2]" 1
1384 1 76 GLN HB2 1 83 TYR QD . . 4.460 3.472 2.459 4.385 . 0 0 "[ . 1 . 2]" 1
1385 1 76 GLN HE21 1 83 TYR HB3 . . 5.500 2.261 1.814 2.926 . 0 0 "[ . 1 . 2]" 1
1386 1 76 GLN HE21 1 83 TYR QD . . 4.440 4.029 3.325 4.590 0.150 16 0 "[ . 1 . 2]" 1
1387 1 76 GLN HE21 1 84 GLY H . . 3.870 3.937 3.613 4.076 0.206 14 0 "[ . 1 . 2]" 1
1388 1 76 GLN HE21 1 103 TYR H . . 5.310 3.746 3.369 4.355 . 0 0 "[ . 1 . 2]" 1
1389 1 76 GLN HE22 1 83 TYR HB3 . . 5.500 3.138 2.637 3.567 . 0 0 "[ . 1 . 2]" 1
1390 1 76 GLN HE22 1 83 TYR QD . . 5.500 4.154 3.507 4.728 . 0 0 "[ . 1 . 2]" 1
1391 1 76 GLN HE22 1 102 ALA HA . . 4.870 4.621 4.252 4.903 0.033 8 0 "[ . 1 . 2]" 1
1392 1 76 GLN HE22 1 102 ALA MB . . 5.500 2.160 1.788 2.343 . 0 0 "[ . 1 . 2]" 1
1393 1 76 GLN HE22 1 103 TYR H . . 4.450 4.339 3.807 4.610 0.160 3 0 "[ . 1 . 2]" 1
1394 1 76 GLN QG 1 83 TYR HA . . 5.050 4.434 3.921 5.254 0.204 20 0 "[ . 1 . 2]" 1
1395 1 76 GLN QG 1 83 TYR HB3 . . 5.310 2.897 2.384 3.944 . 0 0 "[ . 1 . 2]" 1
1396 1 76 GLN QG 1 83 TYR QD . . 5.100 4.055 3.535 4.939 . 0 0 "[ . 1 . 2]" 1
1397 1 77 ILE H 1 77 ILE HB . . 3.220 2.816 2.572 3.055 . 0 0 "[ . 1 . 2]" 1
1398 1 77 ILE H 1 77 ILE MD . . 3.920 2.483 2.006 2.774 . 0 0 "[ . 1 . 2]" 1
1399 1 77 ILE H 1 77 ILE HG13 . . 4.050 3.811 3.519 3.987 . 0 0 "[ . 1 . 2]" 1
1400 1 77 ILE H 1 77 ILE MG . . 3.930 3.955 3.846 4.041 0.111 3 0 "[ . 1 . 2]" 1
1401 1 77 ILE H 1 78 LYS H . . 4.460 4.254 4.024 4.396 . 0 0 "[ . 1 . 2]" 1
1402 1 77 ILE HA 1 77 ILE HG12 . . 3.780 3.703 3.647 3.820 0.040 3 0 "[ . 1 . 2]" 1
1403 1 77 ILE HA 1 77 ILE HG13 . . 4.080 2.541 2.444 2.764 . 0 0 "[ . 1 . 2]" 1
1404 1 77 ILE HA 1 77 ILE MG . . 3.180 2.452 2.341 2.509 . 0 0 "[ . 1 . 2]" 1
1405 1 77 ILE HA 1 78 LYS H . . 2.790 2.151 2.060 2.209 . 0 0 "[ . 1 . 2]" 1
1406 1 77 ILE HA 1 81 LYS H . . 4.580 4.762 4.567 4.908 0.328 9 0 "[ . 1 . 2]" 1
1407 1 77 ILE HA 1 82 LYS HG2 . . 5.150 4.283 3.510 5.359 0.209 6 0 "[ . 1 . 2]" 1
1408 1 77 ILE HA 1 83 TYR H . . 4.370 3.474 3.206 3.600 . 0 0 "[ . 1 . 2]" 1
1409 1 77 ILE HA 1 83 TYR QD . . 4.390 2.905 2.542 3.209 . 0 0 "[ . 1 . 2]" 1
1410 1 77 ILE HA 1 83 TYR QE . . 5.150 4.225 3.558 4.694 . 0 0 "[ . 1 . 2]" 1
1411 1 77 ILE HB 1 77 ILE MD . . 3.440 2.362 2.314 2.435 . 0 0 "[ . 1 . 2]" 1
1412 1 77 ILE HB 1 78 LYS H . . 4.340 4.121 3.884 4.327 . 0 0 "[ . 1 . 2]" 1
1413 1 77 ILE MD 1 82 LYS HA . . 4.130 4.051 3.674 4.248 0.118 3 0 "[ . 1 . 2]" 1
1414 1 77 ILE MD 1 82 LYS QE . . 4.210 3.843 2.855 4.314 0.104 4 0 "[ . 1 . 2]" 1
1415 1 77 ILE HG12 1 77 ILE MG . . 3.410 2.241 2.216 2.277 . 0 0 "[ . 1 . 2]" 1
1416 1 77 ILE HG12 1 78 LYS H . . 5.280 5.271 5.100 5.410 0.130 3 0 "[ . 1 . 2]" 1
1417 1 77 ILE HG12 1 83 TYR H . . 5.500 5.560 5.173 5.678 0.178 1 0 "[ . 1 . 2]" 1
1418 1 77 ILE MG 1 78 LYS H . . 3.400 2.646 2.331 2.963 . 0 0 "[ . 1 . 2]" 1
1419 1 77 ILE MG 1 78 LYS HA . . 4.460 4.071 3.637 4.341 . 0 0 "[ . 1 . 2]" 1
1420 1 77 ILE MG 1 80 ASN H . . 4.230 3.759 3.330 4.219 . 0 0 "[ . 1 . 2]" 1
1421 1 77 ILE MG 1 80 ASN HA . . 3.520 3.165 2.582 3.632 0.112 3 0 "[ . 1 . 2]" 1
1422 1 77 ILE MG 1 80 ASN HB2 . . 5.470 5.138 4.545 5.501 0.031 20 0 "[ . 1 . 2]" 1
1423 1 77 ILE MG 1 81 LYS H . . 3.930 3.296 2.960 3.688 . 0 0 "[ . 1 . 2]" 1
1424 1 77 ILE MG 1 82 LYS HA . . 4.680 3.279 2.416 3.723 . 0 0 "[ . 1 . 2]" 1
1425 1 77 ILE MG 1 82 LYS HD3 . . 4.850 4.523 2.349 5.032 0.182 3 0 "[ . 1 . 2]" 1
1426 1 77 ILE MG 1 82 LYS QE . . 4.090 3.489 2.210 4.219 0.129 3 0 "[ . 1 . 2]" 1
1427 1 77 ILE MG 1 83 TYR H . . 5.430 4.979 4.288 5.161 . 0 0 "[ . 1 . 2]" 1
1428 1 78 LYS H 1 78 LYS HB2 . . 3.640 2.848 2.304 3.762 0.122 13 0 "[ . 1 . 2]" 1
1429 1 78 LYS H 1 78 LYS HB3 . . 3.910 2.649 2.371 3.554 . 0 0 "[ . 1 . 2]" 1
1430 1 78 LYS H 1 78 LYS QG . . 4.590 3.561 2.092 4.301 . 0 0 "[ . 1 . 2]" 1
1431 1 78 LYS H 1 79 ASP H . . 5.500 3.280 2.294 4.243 . 0 0 "[ . 1 . 2]" 1
1432 1 78 LYS H 1 80 ASN H . . 4.780 4.260 3.893 4.495 . 0 0 "[ . 1 . 2]" 1
1433 1 78 LYS H 1 80 ASN HA . . 5.370 5.443 5.001 5.639 0.269 4 0 "[ . 1 . 2]" 1
1434 1 78 LYS H 1 81 LYS H . . 3.610 3.360 3.186 3.650 0.040 6 0 "[ . 1 . 2]" 1
1435 1 78 LYS H 1 81 LYS HB2 . . 4.900 4.186 3.409 4.870 . 0 0 "[ . 1 . 2]" 1
1436 1 78 LYS H 1 81 LYS HB3 . . 5.290 4.199 3.237 4.828 . 0 0 "[ . 1 . 2]" 1
1437 1 78 LYS H 1 82 LYS HA . . 4.510 3.734 3.404 4.281 . 0 0 "[ . 1 . 2]" 1
1438 1 78 LYS H 1 83 TYR H . . 5.020 4.981 4.652 5.194 0.174 1 0 "[ . 1 . 2]" 1
1439 1 78 LYS H 1 83 TYR QD . . 3.590 2.906 2.728 3.169 . 0 0 "[ . 1 . 2]" 1
1440 1 78 LYS H 1 83 TYR QE . . 3.370 2.883 2.285 3.432 0.062 15 0 "[ . 1 . 2]" 1
1441 1 78 LYS HA 1 79 ASP H . . 3.460 3.092 2.130 3.548 0.088 6 0 "[ . 1 . 2]" 1
1442 1 78 LYS HB2 1 78 LYS QE . . 4.940 3.277 2.074 4.174 . 0 0 "[ . 1 . 2]" 1
1443 1 78 LYS HB2 1 80 ASN H . . 5.500 5.148 3.298 5.842 0.342 8 0 "[ . 1 . 2]" 1
1444 1 78 LYS HB2 1 83 TYR QD . . 4.790 3.651 2.727 5.189 0.399 9 0 "[ . 1 . 2]" 1
1445 1 78 LYS HB2 1 83 TYR QE . . 3.820 2.661 1.757 3.962 0.142 18 0 "[ . 1 . 2]" 1
1446 1 78 LYS HB3 1 81 LYS H . . 5.260 3.765 2.867 5.260 0.000 13 0 "[ . 1 . 2]" 1
1447 1 78 LYS HB3 1 83 TYR QD . . 5.020 3.871 2.829 5.192 0.172 15 0 "[ . 1 . 2]" 1
1448 1 78 LYS HB3 1 83 TYR QE . . 4.090 2.459 1.517 4.126 0.036 15 0 "[ . 1 . 2]" 1
1449 1 78 LYS QE 1 79 ASP H . . 4.760 3.720 2.642 4.903 0.143 16 0 "[ . 1 . 2]" 1
1450 1 78 LYS QE 1 80 ASN H . . 3.620 3.766 3.335 4.079 0.459 9 0 "[ . 1 . 2]" 1
1451 1 78 LYS QE 1 81 LYS H . . 4.530 3.721 3.127 4.459 . 0 0 "[ . 1 . 2]" 1
1452 1 78 LYS QG 1 79 ASP H . . 5.120 3.410 1.847 4.467 . 0 0 "[ . 1 . 2]" 1
1453 1 78 LYS QG 1 83 TYR QE . . 3.460 3.160 1.468 3.872 0.412 4 0 "[ . 1 . 2]" 1
1454 1 79 ASP H 1 80 ASN H . . 4.040 2.839 1.992 4.022 . 0 0 "[ . 1 . 2]" 1
1455 1 79 ASP H 1 81 LYS H . . 5.500 3.323 2.222 4.738 . 0 0 "[ . 1 . 2]" 1
1456 1 79 ASP HA 1 80 ASN H . . 3.560 3.572 3.536 3.625 0.065 10 0 "[ . 1 . 2]" 1
1457 1 79 ASP HB2 1 80 ASN H . . 3.540 2.688 2.052 3.760 0.220 3 0 "[ . 1 . 2]" 1
1458 1 79 ASP HB2 1 81 LYS H . . 5.500 4.076 3.432 5.418 . 0 0 "[ . 1 . 2]" 1
1459 1 79 ASP HB3 1 80 ASN H . . 3.580 2.775 2.110 3.407 . 0 0 "[ . 1 . 2]" 1
1460 1 79 ASP HB3 1 81 LYS H . . 4.590 4.363 3.174 4.879 0.289 19 0 "[ . 1 . 2]" 1
1461 1 80 ASN H 1 80 ASN HA . . 2.820 2.927 2.903 2.961 0.141 6 0 "[ . 1 . 2]" 1
1462 1 80 ASN H 1 80 ASN HB2 . . 3.830 3.347 2.761 3.980 0.150 15 0 "[ . 1 . 2]" 1
1463 1 80 ASN H 1 80 ASN HB3 . . 3.730 3.391 2.620 3.891 0.161 18 0 "[ . 1 . 2]" 1
1464 1 80 ASN H 1 80 ASN HD21 . . 5.500 4.535 2.858 5.160 . 0 0 "[ . 1 . 2]" 1
1465 1 80 ASN H 1 80 ASN HD22 . . 5.500 5.023 3.516 5.936 0.436 7 0 "[ . 1 . 2]" 1
1466 1 80 ASN H 1 81 LYS H . . 3.400 1.720 1.499 1.942 . 0 0 "[ . 1 . 2]" 1
1467 1 80 ASN H 1 81 LYS HG3 . . 5.500 5.466 4.901 5.921 0.421 11 0 "[ . 1 . 2]" 1
1468 1 80 ASN HA 1 80 ASN HB2 . . 2.850 2.679 2.344 3.028 0.178 2 0 "[ . 1 . 2]" 1
1469 1 80 ASN HA 1 80 ASN HD22 . . 5.000 4.544 3.466 5.330 0.330 1 0 "[ . 1 . 2]" 1
1470 1 80 ASN QB 1 80 ASN HD22 . . 3.480 3.283 3.188 3.470 . 0 0 "[ . 1 . 2]" 1
1471 1 80 ASN QB 1 81 LYS H . . 4.300 3.547 2.910 3.948 . 0 0 "[ . 1 . 2]" 1
1472 1 80 ASN HB2 1 80 ASN HD22 . . 3.930 3.696 3.444 4.052 0.122 11 0 "[ . 1 . 2]" 1
1473 1 80 ASN HB2 1 81 LYS H . . 4.510 3.996 3.369 4.483 . 0 0 "[ . 1 . 2]" 1
1474 1 80 ASN HB3 1 80 ASN HD22 . . 3.710 3.748 3.461 4.022 0.312 13 0 "[ . 1 . 2]" 1
1475 1 80 ASN HB3 1 81 LYS H . . 4.250 4.102 2.979 4.424 0.174 20 0 "[ . 1 . 2]" 1
1476 1 81 LYS H 1 81 LYS HB2 . . 3.210 2.363 2.155 2.564 . 0 0 "[ . 1 . 2]" 1
1477 1 81 LYS H 1 81 LYS HB3 . . 3.440 3.325 2.584 3.662 0.222 2 0 "[ . 1 . 2]" 1
1478 1 81 LYS H 1 83 TYR QD . . 5.500 5.190 4.663 5.525 0.025 1 0 "[ . 1 . 2]" 1
1479 1 81 LYS H 1 83 TYR QE . . 4.990 3.861 3.311 4.143 . 0 0 "[ . 1 . 2]" 1
1480 1 81 LYS HA 1 81 LYS HD2 . . 4.070 2.972 1.923 4.080 0.010 3 0 "[ . 1 . 2]" 1
1481 1 81 LYS HA 1 81 LYS HD3 . . 4.160 2.803 2.023 3.798 . 0 0 "[ . 1 . 2]" 1
1482 1 81 LYS HA 1 81 LYS HG2 . . 3.550 2.928 2.431 3.723 0.173 10 0 "[ . 1 . 2]" 1
1483 1 81 LYS HA 1 82 LYS H . . 2.660 2.268 2.145 2.422 . 0 0 "[ . 1 . 2]" 1
1484 1 81 LYS HB2 1 81 LYS HG3 . . 2.580 2.497 2.270 2.948 0.368 11 0 "[ . 1 . 2]" 1
1485 1 81 LYS HB2 1 83 TYR QD . . 4.890 4.747 4.268 5.269 0.379 8 0 "[ . 1 . 2]" 1
1486 1 81 LYS HB2 1 83 TYR QE . . 3.900 2.834 2.254 3.501 . 0 0 "[ . 1 . 2]" 1
1487 1 81 LYS HB3 1 81 LYS HG3 . . 2.430 2.475 2.370 2.629 0.199 13 0 "[ . 1 . 2]" 1
1488 1 81 LYS HB3 1 82 LYS H . . 3.240 3.138 2.654 3.548 0.308 11 0 "[ . 1 . 2]" 1
1489 1 81 LYS HB3 1 83 TYR QE . . 2.970 2.412 1.860 3.140 0.170 2 0 "[ . 1 . 2]" 1
1490 1 81 LYS HD2 1 82 LYS H . . 4.790 3.477 2.382 5.011 0.221 14 0 "[ . 1 . 2]" 1
1491 1 81 LYS HD2 1 83 TYR QE . . 5.500 4.945 3.439 5.587 0.087 18 0 "[ . 1 . 2]" 1
1492 1 81 LYS HD3 1 82 LYS H . . 4.920 3.613 1.887 5.096 0.176 2 0 "[ . 1 . 2]" 1
1493 1 81 LYS HG2 1 82 LYS H . . 5.110 4.350 3.668 4.992 . 0 0 "[ . 1 . 2]" 1
1494 1 81 LYS HG2 1 83 TYR QE . . 5.500 4.547 3.091 5.261 . 0 0 "[ . 1 . 2]" 1
1495 1 82 LYS H 1 82 LYS HB2 . . 3.240 2.611 2.440 2.733 . 0 0 "[ . 1 . 2]" 1
1496 1 82 LYS H 1 82 LYS HB3 . . 3.900 3.691 2.510 3.845 . 0 0 "[ . 1 . 2]" 1
1497 1 82 LYS H 1 82 LYS QE . . 5.430 4.739 2.151 5.877 0.447 3 0 "[ . 1 . 2]" 1
1498 1 82 LYS H 1 82 LYS HG2 . . 4.290 3.796 2.337 4.438 0.148 3 0 "[ . 1 . 2]" 1
1499 1 82 LYS H 1 83 TYR H . . 4.590 4.465 4.353 4.548 . 0 0 "[ . 1 . 2]" 1
1500 1 82 LYS H 1 83 TYR QE . . 4.380 4.514 4.318 4.707 0.327 4 0 "[ . 1 . 2]" 1
1501 1 82 LYS HA 1 82 LYS HG3 . . 4.080 3.113 2.423 3.931 . 0 0 "[ . 1 . 2]" 1
1502 1 82 LYS HA 1 83 TYR H . . 3.060 2.222 2.079 2.336 . 0 0 "[ . 1 . 2]" 1
1503 1 82 LYS HA 1 83 TYR QD . . 3.450 3.071 2.661 3.405 . 0 0 "[ . 1 . 2]" 1
1504 1 82 LYS HB2 1 82 LYS QE . . 4.290 4.044 3.132 4.518 0.228 1 0 "[ . 1 . 2]" 1
1505 1 82 LYS HB2 1 83 TYR H . . 4.430 3.879 3.765 4.239 . 0 0 "[ . 1 . 2]" 1
1506 1 82 LYS HB2 1 83 TYR QD . . 5.500 5.393 4.970 5.639 0.139 8 0 "[ . 1 . 2]" 1
1507 1 82 LYS HB3 1 82 LYS QE . . 4.700 4.087 3.959 4.611 . 0 0 "[ . 1 . 2]" 1
1508 1 82 LYS HB3 1 83 TYR H . . 4.470 2.858 2.539 3.899 . 0 0 "[ . 1 . 2]" 1
1509 1 83 TYR H 1 83 TYR HB2 . . 3.600 2.738 2.678 2.871 . 0 0 "[ . 1 . 2]" 1
1510 1 83 TYR H 1 83 TYR HB3 . . 3.960 3.835 3.790 3.924 . 0 0 "[ . 1 . 2]" 1
1511 1 83 TYR H 1 83 TYR QD . . 3.020 3.056 2.794 3.305 0.285 8 0 "[ . 1 . 2]" 1
1512 1 83 TYR H 1 83 TYR QE . . 5.500 5.092 4.906 5.231 . 0 0 "[ . 1 . 2]" 1
1513 1 83 TYR H 1 84 GLY H . . 5.400 4.358 4.254 4.446 . 0 0 "[ . 1 . 2]" 1
1514 1 83 TYR H 1 105 GLU HG3 . . 5.500 4.751 4.464 5.546 0.046 17 0 "[ . 1 . 2]" 1
1515 1 83 TYR HA 1 83 TYR QD . . 3.680 3.070 2.650 3.262 . 0 0 "[ . 1 . 2]" 1
1516 1 83 TYR HA 1 84 GLY H . . 2.980 2.259 2.182 2.348 . 0 0 "[ . 1 . 2]" 1
1517 1 83 TYR HA 1 84 GLY HA3 . . 4.820 4.345 4.267 4.422 . 0 0 "[ . 1 . 2]" 1
1518 1 83 TYR HB2 1 84 GLY H . . 4.490 4.019 3.732 4.298 . 0 0 "[ . 1 . 2]" 1
1519 1 83 TYR HB2 1 102 ALA MB . . 5.170 4.656 4.144 5.097 . 0 0 "[ . 1 . 2]" 1
1520 1 83 TYR HB2 1 103 TYR H . . 5.500 5.438 4.980 5.653 0.153 15 0 "[ . 1 . 2]" 1
1521 1 83 TYR HB2 1 110 VAL MG1 . . 4.850 3.958 3.503 4.578 . 0 0 "[ . 1 . 2]" 1
1522 1 83 TYR HB3 1 84 GLY H . . 3.860 2.979 2.670 3.332 . 0 0 "[ . 1 . 2]" 1
1523 1 83 TYR HB3 1 102 ALA MB . . 4.690 3.674 3.319 3.951 . 0 0 "[ . 1 . 2]" 1
1524 1 83 TYR HB3 1 110 VAL MG1 . . 3.760 2.931 2.491 3.547 . 0 0 "[ . 1 . 2]" 1
1525 1 83 TYR QD 1 84 GLY H . . 4.740 4.101 3.831 4.418 . 0 0 "[ . 1 . 2]" 1
1526 1 83 TYR QD 1 104 ASP H . . 5.500 3.348 2.817 3.859 . 0 0 "[ . 1 . 2]" 1
1527 1 83 TYR QD 1 104 ASP HA . . 2.740 2.382 1.801 2.841 0.101 4 0 "[ . 1 . 2]" 1
1528 1 83 TYR QD 1 104 ASP QB . . 3.690 2.945 2.499 3.619 . 0 0 "[ . 1 . 2]" 1
1529 1 83 TYR QD 1 105 GLU H . . 5.010 4.593 4.034 4.939 . 0 0 "[ . 1 . 2]" 1
1530 1 83 TYR QD 1 110 VAL MG1 . . 2.880 2.128 1.748 2.477 . 0 0 "[ . 1 . 2]" 1
1531 1 83 TYR QD 1 110 VAL MG2 . . 3.840 2.870 2.587 3.256 . 0 0 "[ . 1 . 2]" 1
1532 1 83 TYR QE 1 104 ASP HA . . 3.820 3.482 2.866 3.810 . 0 0 "[ . 1 . 2]" 1
1533 1 83 TYR QE 1 104 ASP QB . . 3.250 2.258 1.793 3.170 . 0 0 "[ . 1 . 2]" 1
1534 1 83 TYR QE 1 105 GLU H . . 5.410 4.983 4.574 5.439 0.029 10 0 "[ . 1 . 2]" 1
1535 1 83 TYR QE 1 110 VAL HB . . 5.230 3.395 2.883 3.826 . 0 0 "[ . 1 . 2]" 1
1536 1 83 TYR QE 1 110 VAL MG1 . . 3.110 3.153 2.549 3.378 0.268 9 0 "[ . 1 . 2]" 1
1537 1 83 TYR QE 1 110 VAL MG2 . . 2.680 1.804 1.450 2.068 . 0 0 "[ . 1 . 2]" 1
1538 1 84 GLY H 1 85 GLY H . . 4.510 4.402 4.101 4.544 0.034 18 0 "[ . 1 . 2]" 1
1539 1 84 GLY H 1 102 ALA HA . . 5.270 4.652 4.307 5.177 . 0 0 "[ . 1 . 2]" 1
1540 1 84 GLY H 1 102 ALA MB . . 5.030 4.361 3.913 4.835 . 0 0 "[ . 1 . 2]" 1
1541 1 84 GLY H 1 103 TYR H . . 3.990 3.058 2.656 3.435 . 0 0 "[ . 1 . 2]" 1
1542 1 84 GLY H 1 103 TYR HB2 . . 5.420 4.800 2.819 5.421 0.001 9 0 "[ . 1 . 2]" 1
1543 1 84 GLY H 1 103 TYR QD . . 3.560 3.619 2.821 3.970 0.410 8 0 "[ . 1 . 2]" 1
1544 1 84 GLY H 1 104 ASP HA . . 4.940 3.670 3.153 4.106 . 0 0 "[ . 1 . 2]" 1
1545 1 84 GLY HA2 1 85 GLY H . . 3.230 2.253 2.142 2.577 . 0 0 "[ . 1 . 2]" 1
1546 1 84 GLY HA3 1 85 GLY H . . 3.530 3.058 2.652 3.340 . 0 0 "[ . 1 . 2]" 1
1547 1 84 GLY HA3 1 103 TYR H . . 5.120 4.401 3.930 4.604 . 0 0 "[ . 1 . 2]" 1
1548 1 85 GLY H 1 103 TYR H . . 5.500 4.997 4.630 5.265 . 0 0 "[ . 1 . 2]" 1
1549 1 85 GLY HA2 1 86 VAL H . . 3.100 2.415 2.253 2.573 . 0 0 "[ . 1 . 2]" 1
1550 1 85 GLY HA2 1 102 ALA H . . 5.300 4.419 4.182 4.591 . 0 0 "[ . 1 . 2]" 1
1551 1 85 GLY HA2 1 102 ALA MB . . 4.140 2.651 2.317 3.098 . 0 0 "[ . 1 . 2]" 1
1552 1 85 GLY HA2 1 103 TYR H . . 4.250 3.618 3.306 3.848 . 0 0 "[ . 1 . 2]" 1
1553 1 85 GLY HA3 1 86 VAL H . . 3.290 2.642 2.450 2.904 . 0 0 "[ . 1 . 2]" 1
1554 1 85 GLY HA3 1 102 ALA HA . . 3.560 3.395 2.912 3.694 0.134 14 0 "[ . 1 . 2]" 1
1555 1 85 GLY HA3 1 102 ALA MB . . 3.740 2.780 2.425 3.371 . 0 0 "[ . 1 . 2]" 1
1556 1 85 GLY HA3 1 103 TYR H . . 5.010 4.858 4.334 5.099 0.089 12 0 "[ . 1 . 2]" 1
1557 1 86 VAL H 1 86 VAL MG1 . . 3.410 2.536 2.362 2.690 . 0 0 "[ . 1 . 2]" 1
1558 1 86 VAL H 1 86 VAL MG2 . . 4.470 4.011 3.947 4.096 . 0 0 "[ . 1 . 2]" 1
1559 1 86 VAL H 1 101 LEU H . . 3.720 3.305 2.850 3.644 . 0 0 "[ . 1 . 2]" 1
1560 1 86 VAL H 1 101 LEU QB . . 4.920 3.944 3.510 4.271 . 0 0 "[ . 1 . 2]" 1
1561 1 86 VAL H 1 102 ALA H . . 5.500 4.936 4.526 5.176 . 0 0 "[ . 1 . 2]" 1
1562 1 86 VAL H 1 102 ALA HA . . 3.930 3.779 3.544 3.944 0.014 4 0 "[ . 1 . 2]" 1
1563 1 86 VAL H 1 102 ALA MB . . 4.120 3.660 3.241 4.102 . 0 0 "[ . 1 . 2]" 1
1564 1 86 VAL HA 1 86 VAL MG2 . . 3.310 2.504 2.458 2.561 . 0 0 "[ . 1 . 2]" 1
1565 1 86 VAL HA 1 87 ILE H . . 2.850 2.163 2.119 2.260 . 0 0 "[ . 1 . 2]" 1
1566 1 86 VAL HB 1 87 ILE H . . 4.140 4.263 4.178 4.397 0.257 6 0 "[ . 1 . 2]" 1
1567 1 86 VAL MG1 1 101 LEU H . . 4.270 2.925 2.559 3.290 . 0 0 "[ . 1 . 2]" 1
1568 1 86 VAL MG1 1 103 TYR QE . . 4.130 3.192 2.141 3.800 . 0 0 "[ . 1 . 2]" 1
1569 1 86 VAL MG2 1 87 ILE H . . 3.410 2.967 2.577 3.368 . 0 0 "[ . 1 . 2]" 1
1570 1 86 VAL MG2 1 88 ILE H . . 4.690 2.906 2.687 3.138 . 0 0 "[ . 1 . 2]" 1
1571 1 86 VAL MG2 1 101 LEU H . . 4.510 4.350 4.125 4.659 0.149 15 0 "[ . 1 . 2]" 1
1572 1 86 VAL MG2 1 103 TYR QE . . 5.500 5.358 4.619 5.745 0.245 4 0 "[ . 1 . 2]" 1
1573 1 87 ILE H 1 87 ILE HB . . 3.480 2.569 2.480 2.654 . 0 0 "[ . 1 . 2]" 1
1574 1 87 ILE H 1 87 ILE MD . . 4.360 3.831 3.581 4.006 . 0 0 "[ . 1 . 2]" 1
1575 1 87 ILE H 1 87 ILE HG12 . . 3.980 3.968 3.641 4.176 0.196 19 0 "[ . 1 . 2]" 1
1576 1 87 ILE H 1 87 ILE HG13 . . 4.710 2.728 2.325 3.018 . 0 0 "[ . 1 . 2]" 1
1577 1 87 ILE H 1 87 ILE MG . . 4.250 3.855 3.799 3.889 . 0 0 "[ . 1 . 2]" 1
1578 1 87 ILE H 1 88 ILE H . . 4.960 3.899 3.771 4.073 . 0 0 "[ . 1 . 2]" 1
1579 1 87 ILE H 1 88 ILE MG . . 5.460 4.775 4.570 4.927 . 0 0 "[ . 1 . 2]" 1
1580 1 87 ILE HA 1 87 ILE MD . . 3.880 3.917 3.879 3.942 0.062 6 0 "[ . 1 . 2]" 1
1581 1 87 ILE HA 1 87 ILE HG12 . . 3.690 2.656 2.551 2.711 . 0 0 "[ . 1 . 2]" 1
1582 1 87 ILE HA 1 87 ILE HG13 . . 3.650 2.936 2.849 3.004 . 0 0 "[ . 1 . 2]" 1
1583 1 87 ILE HA 1 87 ILE MG . . 3.100 2.489 2.435 2.553 . 0 0 "[ . 1 . 2]" 1
1584 1 87 ILE HA 1 88 ILE H . . 2.890 2.212 2.160 2.249 . 0 0 "[ . 1 . 2]" 1
1585 1 87 ILE HA 1 101 LEU H . . 4.620 3.524 3.201 3.979 . 0 0 "[ . 1 . 2]" 1
1586 1 87 ILE HB 1 88 ILE H . . 4.930 4.497 4.458 4.520 . 0 0 "[ . 1 . 2]" 1
1587 1 87 ILE MD 1 98 ASN HB3 . . 5.260 4.655 4.251 5.332 0.072 1 0 "[ . 1 . 2]" 1
1588 1 87 ILE HG12 1 88 ILE H . . 5.070 4.847 4.696 4.931 . 0 0 "[ . 1 . 2]" 1
1589 1 87 ILE HG12 1 100 SER HA . . 5.090 2.771 2.297 3.414 . 0 0 "[ . 1 . 2]" 1
1590 1 87 ILE HG13 1 87 ILE MG . . 3.200 3.236 3.222 3.253 0.053 11 0 "[ . 1 . 2]" 1
1591 1 87 ILE HG13 1 100 SER H . . 5.500 5.648 5.509 5.806 0.306 1 0 "[ . 1 . 2]" 1
1592 1 87 ILE HG13 1 100 SER HA . . 4.260 3.300 2.964 3.644 . 0 0 "[ . 1 . 2]" 1
1593 1 87 ILE HG13 1 100 SER HB3 . . 4.900 4.620 3.348 5.072 0.172 5 0 "[ . 1 . 2]" 1
1594 1 87 ILE MG 1 88 ILE H . . 3.490 3.552 3.467 3.628 0.138 16 0 "[ . 1 . 2]" 1
1595 1 87 ILE MG 1 89 VAL QG . . 4.090 3.462 2.432 4.090 0.000 14 0 "[ . 1 . 2]" 1
1596 1 87 ILE MG 1 98 ASN H . . 5.500 4.827 4.590 5.036 . 0 0 "[ . 1 . 2]" 1
1597 1 87 ILE MG 1 98 ASN HB2 . . 3.940 3.029 2.479 3.414 . 0 0 "[ . 1 . 2]" 1
1598 1 87 ILE MG 1 98 ASN HB3 . . 3.330 2.134 1.905 2.433 . 0 0 "[ . 1 . 2]" 1
1599 1 87 ILE MG 1 98 ASN HD21 . . 5.500 4.163 3.110 5.092 . 0 0 "[ . 1 . 2]" 1
1600 1 87 ILE MG 1 98 ASN HD22 . . 5.410 4.933 4.436 5.337 . 0 0 "[ . 1 . 2]" 1
1601 1 87 ILE MG 1 99 TYR H . . 5.010 4.255 3.825 4.613 . 0 0 "[ . 1 . 2]" 1
1602 1 87 ILE MG 1 100 SER HA . . 4.220 3.632 3.215 4.114 . 0 0 "[ . 1 . 2]" 1
1603 1 87 ILE MG 1 100 SER HB2 . . 5.310 3.563 2.834 4.867 . 0 0 "[ . 1 . 2]" 1
1604 1 87 ILE MG 1 100 SER HB3 . . 4.950 4.643 3.997 4.973 0.023 10 0 "[ . 1 . 2]" 1
1605 1 88 ILE H 1 88 ILE HB . . 3.970 3.080 2.976 3.160 . 0 0 "[ . 1 . 2]" 1
1606 1 88 ILE H 1 88 ILE MG . . 3.190 1.969 1.870 2.097 . 0 0 "[ . 1 . 2]" 1
1607 1 88 ILE H 1 89 VAL H . . 4.990 4.151 3.950 4.339 . 0 0 "[ . 1 . 2]" 1
1608 1 88 ILE H 1 89 VAL HA . . 5.500 5.049 4.650 5.253 . 0 0 "[ . 1 . 2]" 1
1609 1 88 ILE H 1 99 TYR H . . 3.890 3.936 3.467 4.145 0.255 11 0 "[ . 1 . 2]" 1
1610 1 88 ILE H 1 99 TYR HB2 . . 4.790 3.703 3.347 4.090 . 0 0 "[ . 1 . 2]" 1
1611 1 88 ILE H 1 99 TYR HB3 . . 5.500 4.418 4.022 4.851 . 0 0 "[ . 1 . 2]" 1
1612 1 88 ILE H 1 99 TYR QD . . 5.500 5.358 4.989 5.617 0.117 3 0 "[ . 1 . 2]" 1
1613 1 88 ILE H 1 100 SER HA . . 4.300 3.630 3.275 3.991 . 0 0 "[ . 1 . 2]" 1
1614 1 88 ILE H 1 101 LEU H . . 5.360 3.808 3.356 4.318 . 0 0 "[ . 1 . 2]" 1
1615 1 88 ILE HA 1 88 ILE MD . . 4.250 3.838 3.745 3.915 . 0 0 "[ . 1 . 2]" 1
1616 1 88 ILE HA 1 88 ILE MG . . 3.680 3.260 3.246 3.279 . 0 0 "[ . 1 . 2]" 1
1617 1 88 ILE HA 1 89 VAL H . . 2.820 2.108 2.053 2.160 . 0 0 "[ . 1 . 2]" 1
1618 1 88 ILE HB 1 88 ILE MD . . 3.390 2.448 2.372 2.507 . 0 0 "[ . 1 . 2]" 1
1619 1 88 ILE HB 1 89 VAL H . . 4.330 4.327 4.148 4.423 0.093 20 0 "[ . 1 . 2]" 1
1620 1 88 ILE MD 1 88 ILE MG . . 2.750 2.050 2.000 2.096 . 0 0 "[ . 1 . 2]" 1
1621 1 88 ILE MD 1 89 VAL H . . 5.400 4.839 4.506 5.063 . 0 0 "[ . 1 . 2]" 1
1622 1 88 ILE MG 1 89 VAL H . . 4.390 4.308 4.219 4.361 . 0 0 "[ . 1 . 2]" 1
1623 1 88 ILE MG 1 89 VAL HA . . 4.940 4.746 4.537 4.947 0.007 11 0 "[ . 1 . 2]" 1
1624 1 88 ILE MG 1 99 TYR H . . 4.050 3.653 3.394 4.089 0.039 15 0 "[ . 1 . 2]" 1
1625 1 88 ILE MG 1 99 TYR HB2 . . 3.430 2.439 2.028 2.905 . 0 0 "[ . 1 . 2]" 1
1626 1 88 ILE MG 1 99 TYR QD . . 4.270 3.826 3.216 4.417 0.147 15 0 "[ . 1 . 2]" 1
1627 1 89 VAL H 1 89 VAL HB . . 3.180 2.592 2.252 3.590 0.410 13 0 "[ . 1 . 2]" 1
1628 1 89 VAL H 1 89 VAL QG . . 3.120 2.120 1.845 2.441 . 0 0 "[ . 1 . 2]" 1
1629 1 89 VAL H 1 90 VAL H . . 4.820 4.509 4.412 4.620 . 0 0 "[ . 1 . 2]" 1
1630 1 89 VAL HA 1 89 VAL QG . . 3.150 2.294 2.148 2.621 . 0 0 "[ . 1 . 2]" 1
1631 1 89 VAL HA 1 90 VAL H . . 2.890 2.153 2.051 2.323 . 0 0 "[ . 1 . 2]" 1
1632 1 89 VAL HA 1 90 VAL HB . . 4.650 4.514 4.091 4.764 0.114 5 0 "[ . 1 . 2]" 1
1633 1 89 VAL HA 1 90 VAL QG . . 5.190 3.641 3.218 4.260 . 0 0 "[ . 1 . 2]" 1
1634 1 89 VAL HA 1 97 VAL H . . 5.070 4.350 3.757 5.145 0.075 11 0 "[ . 1 . 2]" 1
1635 1 89 VAL HA 1 98 ASN H . . 5.040 4.235 3.825 4.537 . 0 0 "[ . 1 . 2]" 1
1636 1 89 VAL HA 1 98 ASN HA . . 3.440 1.835 1.411 2.162 . 0 0 "[ . 1 . 2]" 1
1637 1 89 VAL HA 1 98 ASN HB3 . . 4.910 3.768 2.957 4.493 . 0 0 "[ . 1 . 2]" 1
1638 1 89 VAL HA 1 99 TYR H . . 4.210 3.077 2.268 3.694 . 0 0 "[ . 1 . 2]" 1
1639 1 89 VAL HB 1 90 VAL H . . 4.410 3.923 2.785 4.334 . 0 0 "[ . 1 . 2]" 1
1640 1 89 VAL HB 1 98 ASN HA . . 4.860 3.875 2.417 4.881 0.021 3 0 "[ . 1 . 2]" 1
1641 1 89 VAL QG 1 90 VAL H . . 3.330 2.417 2.061 2.999 . 0 0 "[ . 1 . 2]" 1
1642 1 89 VAL QG 1 90 VAL HA . . 5.210 3.326 3.136 3.609 . 0 0 "[ . 1 . 2]" 1
1643 1 89 VAL QG 1 96 ASN HA . . 4.760 3.363 2.993 4.561 . 0 0 "[ . 1 . 2]" 1
1644 1 89 VAL QG 1 96 ASN HB2 . . 3.940 3.334 3.033 3.826 . 0 0 "[ . 1 . 2]" 1
1645 1 89 VAL QG 1 96 ASN HB3 . . 3.920 2.052 1.573 3.031 . 0 0 "[ . 1 . 2]" 1
1646 1 89 VAL QG 1 96 ASN HD21 . . 5.500 2.556 1.878 4.927 . 0 0 "[ . 1 . 2]" 1
1647 1 89 VAL QG 1 96 ASN HD22 . . 4.460 3.498 2.869 4.449 . 0 0 "[ . 1 . 2]" 1
1648 1 89 VAL QG 1 98 ASN HA . . 3.650 2.823 2.408 3.528 . 0 0 "[ . 1 . 2]" 1
1649 1 89 VAL QG 1 98 ASN HB2 . . 5.500 4.083 3.700 4.970 . 0 0 "[ . 1 . 2]" 1
1650 1 89 VAL QG 1 98 ASN HD21 . . 5.200 3.254 2.378 4.300 . 0 0 "[ . 1 . 2]" 1
1651 1 89 VAL QG 1 98 ASN HD22 . . 5.500 2.960 2.267 3.930 . 0 0 "[ . 1 . 2]" 1
1652 1 90 VAL H 1 90 VAL HB . . 3.430 2.879 2.217 3.474 0.044 16 0 "[ . 1 . 2]" 1
1653 1 90 VAL H 1 90 VAL QG . . 3.690 2.546 2.000 3.015 . 0 0 "[ . 1 . 2]" 1
1654 1 90 VAL H 1 91 LYS H . . 4.880 4.182 3.983 4.483 . 0 0 "[ . 1 . 2]" 1
1655 1 90 VAL H 1 96 ASN HA . . 5.190 3.882 3.254 4.870 . 0 0 "[ . 1 . 2]" 1
1656 1 90 VAL H 1 98 ASN HA . . 3.960 3.341 2.613 4.071 0.111 16 0 "[ . 1 . 2]" 1
1657 1 90 VAL H 1 99 TYR QD . . 4.610 3.900 2.837 4.463 . 0 0 "[ . 1 . 2]" 1
1658 1 90 VAL H 1 99 TYR QE . . 5.320 4.864 4.091 5.414 0.094 19 0 "[ . 1 . 2]" 1
1659 1 90 VAL HA 1 90 VAL QG . . 3.290 2.271 2.101 2.458 . 0 0 "[ . 1 . 2]" 1
1660 1 90 VAL HA 1 91 LYS H . . 2.910 2.105 2.016 2.227 . 0 0 "[ . 1 . 2]" 1
1661 1 90 VAL HA 1 91 LYS QB . . 4.880 4.387 4.078 4.580 . 0 0 "[ . 1 . 2]" 1
1662 1 90 VAL HB 1 91 LYS H . . 4.970 4.267 4.075 4.473 . 0 0 "[ . 1 . 2]" 1
1663 1 90 VAL HB 1 92 TYR QE . . 3.470 3.575 2.470 4.642 1.172 14 7 "[ - * * *+.** 2]" 1
1664 1 90 VAL HB 1 97 VAL H . . 4.500 3.743 2.515 4.665 0.165 14 0 "[ . 1 . 2]" 1
1665 1 90 VAL HB 1 97 VAL MG2 . . 4.670 4.636 3.849 5.126 0.456 13 0 "[ . 1 . 2]" 1
1666 1 90 VAL HB 1 99 TYR QE . . 3.500 3.231 2.232 3.706 0.206 5 0 "[ . 1 . 2]" 1
1667 1 90 VAL QG 1 91 LYS H . . 3.440 2.802 2.483 3.085 . 0 0 "[ . 1 . 2]" 1
1668 1 90 VAL QG 1 92 TYR H . . 5.500 2.874 1.997 3.459 . 0 0 "[ . 1 . 2]" 1
1669 1 90 VAL QG 1 92 TYR QD . . 3.460 2.684 2.240 3.157 . 0 0 "[ . 1 . 2]" 1
1670 1 90 VAL QG 1 92 TYR QE . . 2.810 2.247 1.662 2.769 . 0 0 "[ . 1 . 2]" 1
1671 1 90 VAL QG 1 98 ASN HA . . 5.290 4.297 3.860 4.686 . 0 0 "[ . 1 . 2]" 1
1672 1 90 VAL QG 1 99 TYR H . . 5.180 3.507 3.102 3.947 . 0 0 "[ . 1 . 2]" 1
1673 1 90 VAL QG 1 99 TYR HB2 . . 5.500 3.659 2.704 4.402 . 0 0 "[ . 1 . 2]" 1
1674 1 90 VAL QG 1 99 TYR QD . . 2.690 2.305 1.999 3.035 0.345 9 0 "[ . 1 . 2]" 1
1675 1 90 VAL QG 1 99 TYR QE . . 3.690 2.169 1.563 3.012 . 0 0 "[ . 1 . 2]" 1
1676 1 91 LYS H 1 91 LYS QB . . 3.210 2.467 2.231 2.602 . 0 0 "[ . 1 . 2]" 1
1677 1 91 LYS H 1 91 LYS HG2 . . 3.980 3.616 3.185 4.319 0.339 17 0 "[ . 1 . 2]" 1
1678 1 91 LYS H 1 96 ASN HA . . 5.500 4.781 4.389 5.038 . 0 0 "[ . 1 . 2]" 1
1679 1 91 LYS HA 1 91 LYS HG2 . . 4.150 2.686 2.517 3.275 . 0 0 "[ . 1 . 2]" 1
1680 1 91 LYS HA 1 92 TYR H . . 2.790 2.265 2.154 2.377 . 0 0 "[ . 1 . 2]" 1
1681 1 91 LYS HA 1 95 GLY H . . 5.500 5.291 4.519 5.654 0.154 8 0 "[ . 1 . 2]" 1
1682 1 91 LYS HA 1 96 ASN HA . . 3.270 2.864 2.417 3.214 . 0 0 "[ . 1 . 2]" 1
1683 1 91 LYS HA 1 97 VAL H . . 4.880 4.383 3.933 4.896 0.016 13 0 "[ . 1 . 2]" 1
1684 1 91 LYS QB 1 92 TYR H . . 4.210 3.817 3.665 3.983 . 0 0 "[ . 1 . 2]" 1
1685 1 91 LYS QB 1 96 ASN HA . . 5.040 4.863 4.459 5.180 0.140 3 0 "[ . 1 . 2]" 1
1686 1 91 LYS HG3 1 96 ASN HD21 . . 5.500 4.178 3.107 5.590 0.090 4 0 "[ . 1 . 2]" 1
1687 1 91 LYS HG3 1 96 ASN HD22 . . 5.500 4.168 3.453 5.207 . 0 0 "[ . 1 . 2]" 1
1688 1 92 TYR H 1 92 TYR QB . . 3.510 2.414 2.347 2.505 . 0 0 "[ . 1 . 2]" 1
1689 1 92 TYR H 1 92 TYR QD . . 3.060 2.606 2.186 3.202 0.142 20 0 "[ . 1 . 2]" 1
1690 1 92 TYR H 1 92 TYR QE . . 4.840 4.524 4.105 4.782 . 0 0 "[ . 1 . 2]" 1
1691 1 92 TYR H 1 95 GLY H . . 4.340 3.941 3.658 4.249 . 0 0 "[ . 1 . 2]" 1
1692 1 92 TYR H 1 96 ASN HA . . 3.870 3.007 2.588 3.298 . 0 0 "[ . 1 . 2]" 1
1693 1 92 TYR H 1 97 VAL H . . 4.810 4.002 3.225 4.565 . 0 0 "[ . 1 . 2]" 1
1694 1 92 TYR HA 1 92 TYR QD . . 3.310 2.854 2.407 3.218 . 0 0 "[ . 1 . 2]" 1
1695 1 92 TYR HA 1 92 TYR QE . . 4.630 4.630 4.503 4.769 0.139 18 0 "[ . 1 . 2]" 1
1696 1 92 TYR HA 1 93 GLU H . . 3.200 2.558 2.396 2.714 . 0 0 "[ . 1 . 2]" 1
1697 1 92 TYR HA 1 94 GLU H . . 5.460 4.496 4.268 4.914 . 0 0 "[ . 1 . 2]" 1
1698 1 92 TYR HA 1 95 GLY H . . 5.500 4.776 4.452 5.189 . 0 0 "[ . 1 . 2]" 1
1699 1 92 TYR QB 1 93 GLU H . . 3.280 2.145 1.887 2.557 . 0 0 "[ . 1 . 2]" 1
1700 1 92 TYR QB 1 94 GLU H . . 3.770 2.764 2.521 3.137 . 0 0 "[ . 1 . 2]" 1
1701 1 92 TYR QB 1 95 GLY H . . 3.660 2.372 1.896 2.549 . 0 0 "[ . 1 . 2]" 1
1702 1 92 TYR QD 1 93 GLU H . . 4.630 3.578 3.348 3.767 . 0 0 "[ . 1 . 2]" 1
1703 1 92 TYR QD 1 94 GLU H . . 5.500 4.889 4.613 5.265 . 0 0 "[ . 1 . 2]" 1
1704 1 92 TYR QD 1 95 GLY H . . 4.290 4.256 3.380 4.506 0.216 3 0 "[ . 1 . 2]" 1
1705 1 92 TYR QD 1 96 ASN HA . . 3.650 3.413 2.678 3.782 0.132 19 0 "[ . 1 . 2]" 1
1706 1 92 TYR QD 1 97 VAL H . . 4.520 3.158 2.140 3.905 . 0 0 "[ . 1 . 2]" 1
1707 1 92 TYR QD 1 97 VAL MG2 . . 3.650 2.464 2.077 3.249 . 0 0 "[ . 1 . 2]" 1
1708 1 92 TYR QE 1 97 VAL H . . 4.310 3.557 2.377 4.354 0.044 14 0 "[ . 1 . 2]" 1
1709 1 92 TYR QE 1 97 VAL HB . . 2.780 2.409 1.655 2.973 0.193 14 0 "[ . 1 . 2]" 1
1710 1 92 TYR QE 1 97 VAL MG2 . . 2.610 2.320 1.903 2.808 0.198 3 0 "[ . 1 . 2]" 1
1711 1 93 GLU H 1 93 GLU HB2 . . 3.180 2.259 2.107 2.430 . 0 0 "[ . 1 . 2]" 1
1712 1 93 GLU H 1 93 GLU HB3 . . 3.330 3.035 2.548 3.530 0.200 2 0 "[ . 1 . 2]" 1
1713 1 93 GLU H 1 93 GLU QG . . 3.650 3.306 2.210 3.954 0.304 17 0 "[ . 1 . 2]" 1
1714 1 93 GLU H 1 94 GLU H . . 3.960 2.832 2.728 3.037 . 0 0 "[ . 1 . 2]" 1
1715 1 93 GLU H 1 95 GLY H . . 5.060 4.110 3.895 4.571 . 0 0 "[ . 1 . 2]" 1
1716 1 93 GLU HA 1 93 GLU HB2 . . 2.980 2.755 2.497 3.029 0.049 9 0 "[ . 1 . 2]" 1
1717 1 93 GLU HA 1 93 GLU QG . . 3.520 2.503 2.268 2.843 . 0 0 "[ . 1 . 2]" 1
1718 1 93 GLU HA 1 94 GLU HG3 . . 5.020 4.700 4.374 5.478 0.458 14 0 "[ . 1 . 2]" 1
1719 1 93 GLU HB2 1 94 GLU H . . 3.960 3.486 2.518 4.037 0.077 4 0 "[ . 1 . 2]" 1
1720 1 94 GLU H 1 94 GLU HB2 . . 3.560 2.743 2.549 2.872 . 0 0 "[ . 1 . 2]" 1
1721 1 94 GLU H 1 94 GLU HG3 . . 3.610 2.894 2.508 3.783 0.173 14 0 "[ . 1 . 2]" 1
1722 1 94 GLU H 1 95 GLY H . . 3.190 2.035 1.858 2.344 . 0 0 "[ . 1 . 2]" 1
1723 1 94 GLU HA 1 94 GLU HB3 . . 3.000 2.442 2.393 2.479 . 0 0 "[ . 1 . 2]" 1
1724 1 94 GLU HA 1 94 GLU HG3 . . 4.010 3.321 3.107 3.840 . 0 0 "[ . 1 . 2]" 1
1725 1 94 GLU HB2 1 95 GLY H . . 4.650 3.117 2.405 3.858 . 0 0 "[ . 1 . 2]" 1
1726 1 94 GLU HB3 1 95 GLY H . . 4.630 4.112 3.598 4.500 . 0 0 "[ . 1 . 2]" 1
1727 1 95 GLY H 1 96 ASN H . . 4.460 4.425 4.130 4.548 0.088 9 0 "[ . 1 . 2]" 1
1728 1 95 GLY H 1 96 ASN HA . . 5.500 5.006 4.697 5.298 . 0 0 "[ . 1 . 2]" 1
1729 1 95 GLY HA2 1 96 ASN H . . 3.120 2.267 2.160 2.496 . 0 0 "[ . 1 . 2]" 1
1730 1 95 GLY HA3 1 96 ASN H . . 3.100 2.993 2.616 3.245 0.145 7 0 "[ . 1 . 2]" 1
1731 1 95 GLY HA3 1 96 ASN HA . . 5.070 4.527 4.352 4.708 . 0 0 "[ . 1 . 2]" 1
1732 1 96 ASN H 1 96 ASN HB2 . . 3.350 2.700 2.577 2.868 . 0 0 "[ . 1 . 2]" 1
1733 1 96 ASN H 1 96 ASN HB3 . . 3.890 3.773 3.694 3.916 0.026 8 0 "[ . 1 . 2]" 1
1734 1 96 ASN H 1 96 ASN HD21 . . 5.500 4.606 2.443 5.068 . 0 0 "[ . 1 . 2]" 1
1735 1 96 ASN H 1 96 ASN HD22 . . 5.060 4.891 4.104 5.148 0.088 9 0 "[ . 1 . 2]" 1
1736 1 96 ASN H 1 97 VAL H . . 4.400 4.366 4.193 4.522 0.122 10 0 "[ . 1 . 2]" 1
1737 1 96 ASN H 1 97 VAL MG2 . . 5.360 4.326 3.715 4.863 . 0 0 "[ . 1 . 2]" 1
1738 1 96 ASN HA 1 96 ASN HD22 . . 5.080 4.305 3.634 4.817 . 0 0 "[ . 1 . 2]" 1
1739 1 96 ASN HA 1 97 VAL H . . 2.850 2.172 2.114 2.252 . 0 0 "[ . 1 . 2]" 1
1740 1 96 ASN HA 1 97 VAL HB . . 4.770 4.829 4.590 4.943 0.173 7 0 "[ . 1 . 2]" 1
1741 1 96 ASN HA 1 97 VAL MG2 . . 4.310 3.699 3.234 4.130 . 0 0 "[ . 1 . 2]" 1
1742 1 96 ASN HB2 1 96 ASN HD22 . . 3.740 3.855 3.507 4.051 0.311 3 0 "[ . 1 . 2]" 1
1743 1 96 ASN HB2 1 97 VAL H . . 4.020 4.113 3.872 4.296 0.276 3 0 "[ . 1 . 2]" 1
1744 1 96 ASN HB2 1 97 VAL HA . . 4.270 4.575 4.455 4.682 0.412 18 0 "[ . 1 . 2]" 1
1745 1 96 ASN HB3 1 96 ASN HD22 . . 3.950 3.533 3.434 4.058 0.108 13 0 "[ . 1 . 2]" 1
1746 1 96 ASN HB3 1 97 VAL H . . 3.870 3.304 2.731 3.762 . 0 0 "[ . 1 . 2]" 1
1747 1 97 VAL H 1 97 VAL HB . . 3.420 2.789 2.570 3.002 . 0 0 "[ . 1 . 2]" 1
1748 1 97 VAL H 1 97 VAL MG1 . . 4.280 3.936 3.834 4.016 . 0 0 "[ . 1 . 2]" 1
1749 1 97 VAL H 1 97 VAL MG2 . . 3.570 2.613 2.285 2.999 . 0 0 "[ . 1 . 2]" 1
1750 1 97 VAL H 1 98 ASN H . . 4.750 4.244 4.129 4.357 . 0 0 "[ . 1 . 2]" 1
1751 1 97 VAL H 1 98 ASN HA . . 5.500 4.719 4.570 4.896 . 0 0 "[ . 1 . 2]" 1
1752 1 97 VAL HA 1 97 VAL MG1 . . 3.380 2.387 2.321 2.513 . 0 0 "[ . 1 . 2]" 1
1753 1 97 VAL HA 1 97 VAL MG2 . . 3.210 2.559 2.395 2.724 . 0 0 "[ . 1 . 2]" 1
1754 1 97 VAL HA 1 98 ASN H . . 2.750 2.134 2.084 2.225 . 0 0 "[ . 1 . 2]" 1
1755 1 97 VAL HA 1 98 ASN HB2 . . 4.680 4.647 4.435 4.815 0.135 20 0 "[ . 1 . 2]" 1
1756 1 97 VAL HA 1 98 ASN HD21 . . 5.500 4.518 2.479 5.854 0.354 8 0 "[ . 1 . 2]" 1
1757 1 97 VAL HA 1 98 ASN HD22 . . 5.500 4.882 3.848 5.420 . 0 0 "[ . 1 . 2]" 1
1758 1 97 VAL HB 1 98 ASN H . . 4.190 4.160 3.732 4.327 0.137 19 0 "[ . 1 . 2]" 1
1759 1 97 VAL HB 1 99 TYR QE . . 4.460 2.576 1.873 3.531 . 0 0 "[ . 1 . 2]" 1
1760 1 97 VAL MG1 1 98 ASN H . . 3.490 2.857 2.347 3.167 . 0 0 "[ . 1 . 2]" 1
1761 1 97 VAL MG1 1 98 ASN HA . . 4.960 4.319 4.047 4.642 . 0 0 "[ . 1 . 2]" 1
1762 1 97 VAL MG1 1 98 ASN HB2 . . 5.500 4.694 4.308 5.067 . 0 0 "[ . 1 . 2]" 1
1763 1 97 VAL MG1 1 114 MET H . . 5.500 4.845 4.437 5.153 . 0 0 "[ . 1 . 2]" 1
1764 1 97 VAL MG1 1 114 MET HA . . 4.380 3.166 2.645 3.999 . 0 0 "[ . 1 . 2]" 1
1765 1 97 VAL MG1 1 114 MET HB2 . . 3.690 2.301 1.757 3.346 . 0 0 "[ . 1 . 2]" 1
1766 1 97 VAL MG1 1 114 MET HB3 . . 3.960 2.512 1.788 3.081 . 0 0 "[ . 1 . 2]" 1
1767 1 97 VAL MG1 1 114 MET ME . . 3.570 2.226 1.504 3.609 0.039 17 0 "[ . 1 . 2]" 1
1768 1 97 VAL MG1 1 114 MET HG2 . . 4.200 3.519 2.291 4.289 0.089 15 0 "[ . 1 . 2]" 1
1769 1 97 VAL MG1 1 114 MET HG3 . . 4.240 3.853 2.987 4.363 0.123 11 0 "[ . 1 . 2]" 1
1770 1 97 VAL MG2 1 98 ASN H . . 4.250 4.221 3.982 4.360 0.110 17 0 "[ . 1 . 2]" 1
1771 1 97 VAL MG2 1 114 MET HB2 . . 5.130 4.534 3.826 5.360 0.230 13 0 "[ . 1 . 2]" 1
1772 1 97 VAL MG2 1 114 MET HB3 . . 5.330 4.898 3.771 5.465 0.135 9 0 "[ . 1 . 2]" 1
1773 1 98 ASN H 1 98 ASN HB2 . . 3.290 2.585 2.420 2.768 . 0 0 "[ . 1 . 2]" 1
1774 1 98 ASN H 1 98 ASN HB3 . . 3.650 3.654 3.624 3.692 0.042 1 0 "[ . 1 . 2]" 1
1775 1 98 ASN H 1 98 ASN HD21 . . 5.260 3.243 1.982 4.698 . 0 0 "[ . 1 . 2]" 1
1776 1 98 ASN H 1 98 ASN HD22 . . 4.730 4.008 3.290 4.682 . 0 0 "[ . 1 . 2]" 1
1777 1 98 ASN HA 1 98 ASN HD22 . . 5.500 4.403 3.838 4.932 . 0 0 "[ . 1 . 2]" 1
1778 1 98 ASN HA 1 99 TYR H . . 2.870 2.311 2.217 2.447 . 0 0 "[ . 1 . 2]" 1
1779 1 98 ASN HA 1 99 TYR HB2 . . 4.490 4.538 4.279 4.650 0.160 2 0 "[ . 1 . 2]" 1
1780 1 98 ASN HB2 1 98 ASN HD22 . . 3.770 3.683 3.496 4.027 0.257 14 0 "[ . 1 . 2]" 1
1781 1 98 ASN HB2 1 99 TYR H . . 5.290 4.473 4.406 4.557 . 0 0 "[ . 1 . 2]" 1
1782 1 98 ASN HB3 1 99 TYR H . . 4.430 4.174 3.901 4.394 . 0 0 "[ . 1 . 2]" 1
1783 1 99 TYR H 1 99 TYR HB2 . . 3.460 2.327 2.123 2.444 . 0 0 "[ . 1 . 2]" 1
1784 1 99 TYR H 1 99 TYR HB3 . . 3.770 3.567 3.441 3.624 . 0 0 "[ . 1 . 2]" 1
1785 1 99 TYR H 1 99 TYR QD . . 2.970 2.535 2.073 2.882 . 0 0 "[ . 1 . 2]" 1
1786 1 99 TYR H 1 99 TYR QE . . 5.320 4.600 4.216 5.021 . 0 0 "[ . 1 . 2]" 1
1787 1 99 TYR HA 1 99 TYR QD . . 3.250 2.892 2.603 3.110 . 0 0 "[ . 1 . 2]" 1
1788 1 99 TYR HA 1 100 SER H . . 2.910 2.207 2.136 2.299 . 0 0 "[ . 1 . 2]" 1
1789 1 99 TYR HA 1 114 MET HB2 . . 4.180 4.085 3.158 4.586 0.406 10 0 "[ . 1 . 2]" 1
1790 1 99 TYR HA 1 114 MET HB3 . . 4.260 3.142 2.203 3.672 . 0 0 "[ . 1 . 2]" 1
1791 1 99 TYR HB2 1 100 SER H . . 4.650 4.516 4.313 4.661 0.011 15 0 "[ . 1 . 2]" 1
1792 1 99 TYR HB2 1 101 LEU QD . . 3.650 3.026 2.280 3.359 . 0 0 "[ . 1 . 2]" 1
1793 1 99 TYR HB3 1 100 SER H . . 4.140 3.784 3.320 4.079 . 0 0 "[ . 1 . 2]" 1
1794 1 99 TYR HB3 1 101 LEU QD . . 3.450 1.904 1.527 2.757 . 0 0 "[ . 1 . 2]" 1
1795 1 99 TYR QD 1 100 SER H . . 4.740 4.341 3.432 4.632 . 0 0 "[ . 1 . 2]" 1
1796 1 99 TYR QD 1 101 LEU QD . . 3.450 2.645 1.933 3.225 . 0 0 "[ . 1 . 2]" 1
1797 1 99 TYR QD 1 114 MET HA . . 4.000 3.583 2.582 4.251 0.251 8 0 "[ . 1 . 2]" 1
1798 1 99 TYR QD 1 114 MET HB3 . . 4.160 3.154 2.271 4.372 0.212 19 0 "[ . 1 . 2]" 1
1799 1 99 TYR QE 1 114 MET HA . . 5.470 4.754 3.759 5.477 0.007 16 0 "[ . 1 . 2]" 1
1800 1 99 TYR QE 1 114 MET HB2 . . 5.240 4.273 3.257 5.311 0.071 19 0 "[ . 1 . 2]" 1
1801 1 99 TYR QE 1 114 MET HB3 . . 5.380 3.430 2.537 4.562 . 0 0 "[ . 1 . 2]" 1
1802 1 99 TYR QE 1 114 MET ME . . 4.080 3.834 1.826 4.327 0.247 19 0 "[ . 1 . 2]" 1
1803 1 99 TYR QE 1 114 MET HG2 . . 5.130 3.318 2.375 5.300 0.170 5 0 "[ . 1 . 2]" 1
1804 1 99 TYR QE 1 114 MET HG3 . . 4.850 4.193 2.550 4.954 0.104 9 0 "[ . 1 . 2]" 1
1805 1 100 SER H 1 100 SER HB2 . . 3.600 2.692 2.520 3.026 . 0 0 "[ . 1 . 2]" 1
1806 1 100 SER H 1 100 SER HB3 . . 3.870 2.774 2.493 3.670 . 0 0 "[ . 1 . 2]" 1
1807 1 100 SER H 1 101 LEU QD . . 4.850 3.701 3.241 4.713 . 0 0 "[ . 1 . 2]" 1
1808 1 100 SER H 1 113 THR HA . . 5.230 4.999 4.780 5.261 0.031 15 0 "[ . 1 . 2]" 1
1809 1 100 SER H 1 113 THR MG . . 5.500 4.823 4.296 5.384 . 0 0 "[ . 1 . 2]" 1
1810 1 100 SER H 1 114 MET HA . . 3.690 2.808 2.124 3.493 . 0 0 "[ . 1 . 2]" 1
1811 1 100 SER H 1 114 MET HB3 . . 4.790 4.589 3.762 5.008 0.218 13 0 "[ . 1 . 2]" 1
1812 1 100 SER HA 1 101 LEU H . . 2.860 2.264 2.181 2.364 . 0 0 "[ . 1 . 2]" 1
1813 1 100 SER HB2 1 101 LEU H . . 4.430 4.549 4.438 4.644 0.214 16 0 "[ . 1 . 2]" 1
1814 1 100 SER HB2 1 113 THR MG . . 4.780 4.741 4.042 5.078 0.298 6 0 "[ . 1 . 2]" 1
1815 1 101 LEU H 1 101 LEU QB . . 3.730 2.375 2.175 2.688 . 0 0 "[ . 1 . 2]" 1
1816 1 101 LEU H 1 101 LEU QD . . 4.200 2.624 1.983 3.453 . 0 0 "[ . 1 . 2]" 1
1817 1 101 LEU H 1 101 LEU HG . . 5.160 3.603 2.586 4.486 . 0 0 "[ . 1 . 2]" 1
1818 1 101 LEU H 1 102 ALA H . . 5.160 4.475 4.112 4.645 . 0 0 "[ . 1 . 2]" 1
1819 1 101 LEU HA 1 101 LEU QD . . 3.540 2.224 1.842 3.144 . 0 0 "[ . 1 . 2]" 1
1820 1 101 LEU HA 1 101 LEU HG . . 3.480 3.257 2.356 3.705 0.225 14 0 "[ . 1 . 2]" 1
1821 1 101 LEU HA 1 102 ALA H . . 2.860 2.188 2.028 2.427 . 0 0 "[ . 1 . 2]" 1
1822 1 101 LEU HA 1 102 ALA MB . . 4.950 3.912 3.796 4.021 . 0 0 "[ . 1 . 2]" 1
1823 1 101 LEU HA 1 109 LEU MD1 . . 4.140 3.717 2.639 4.297 0.157 4 0 "[ . 1 . 2]" 1
1824 1 101 LEU QB 1 102 ALA H . . 4.190 3.054 2.712 3.522 . 0 0 "[ . 1 . 2]" 1
1825 1 101 LEU QB 1 103 TYR QE . . 4.730 3.315 2.116 3.990 . 0 0 "[ . 1 . 2]" 1
1826 1 101 LEU QB 1 109 LEU MD1 . . 4.210 2.831 1.575 3.666 . 0 0 "[ . 1 . 2]" 1
1827 1 101 LEU QD 1 102 ALA H . . 4.710 3.325 2.456 4.428 . 0 0 "[ . 1 . 2]" 1
1828 1 101 LEU QD 1 103 TYR QE . . 4.540 4.003 3.520 4.518 . 0 0 "[ . 1 . 2]" 1
1829 1 101 LEU QD 1 109 LEU MD1 . . 3.560 1.927 1.576 2.562 . 0 0 "[ . 1 . 2]" 1
1830 1 101 LEU QD 1 109 LEU MD2 . . 4.720 2.917 1.841 3.983 . 0 0 "[ . 1 . 2]" 1
1831 1 101 LEU QD 1 112 PHE QD . . 2.980 1.719 1.418 2.128 . 0 0 "[ . 1 . 2]" 1
1832 1 101 LEU QD 1 112 PHE QE . . 3.560 2.670 2.375 3.054 . 0 0 "[ . 1 . 2]" 1
1833 1 101 LEU QD 1 113 THR H . . 4.960 2.881 2.062 4.368 . 0 0 "[ . 1 . 2]" 1
1834 1 101 LEU HG 1 102 ALA H . . 4.710 4.822 4.325 5.165 0.455 2 0 "[ . 1 . 2]" 1
1835 1 101 LEU HG 1 109 LEU MD1 . . 4.790 3.770 2.676 4.853 0.063 5 0 "[ . 1 . 2]" 1
1836 1 101 LEU HG 1 112 PHE HA . . 4.510 4.292 3.249 4.830 0.320 13 0 "[ . 1 . 2]" 1
1837 1 101 LEU HG 1 112 PHE QD . . 2.920 3.224 1.863 4.453 1.533 16 6 "[ * * - * * .+ 2]" 1
1838 1 101 LEU HG 1 113 THR H . . 5.300 4.739 3.151 5.411 0.111 4 0 "[ . 1 . 2]" 1
1839 1 102 ALA H 1 102 ALA MB . . 3.410 2.698 2.428 2.850 . 0 0 "[ . 1 . 2]" 1
1840 1 102 ALA H 1 103 TYR H . . 4.920 4.296 4.073 4.461 . 0 0 "[ . 1 . 2]" 1
1841 1 102 ALA H 1 109 LEU MD1 . . 3.890 3.436 2.457 4.099 0.209 15 0 "[ . 1 . 2]" 1
1842 1 102 ALA H 1 109 LEU MD2 . . 5.500 3.642 2.101 5.679 0.179 9 0 "[ . 1 . 2]" 1
1843 1 102 ALA H 1 110 VAL H . . 4.270 4.157 3.808 4.414 0.144 13 0 "[ . 1 . 2]" 1
1844 1 102 ALA H 1 110 VAL MG1 . . 4.700 4.432 4.170 4.761 0.061 2 0 "[ . 1 . 2]" 1
1845 1 102 ALA H 1 111 SER H . . 3.840 3.401 3.145 3.680 . 0 0 "[ . 1 . 2]" 1
1846 1 102 ALA H 1 111 SER HB2 . . 4.220 3.922 2.973 4.535 0.315 19 0 "[ . 1 . 2]" 1
1847 1 102 ALA H 1 111 SER HB3 . . 5.500 4.206 2.649 5.188 . 0 0 "[ . 1 . 2]" 1
1848 1 102 ALA HA 1 103 TYR H . . 2.900 2.203 2.091 2.349 . 0 0 "[ . 1 . 2]" 1
1849 1 102 ALA HA 1 103 TYR HB3 . . 4.890 4.934 4.565 5.381 0.491 11 0 "[ . 1 . 2]" 1
1850 1 102 ALA HA 1 110 VAL MG1 . . 4.950 4.307 4.125 4.888 . 0 0 "[ . 1 . 2]" 1
1851 1 102 ALA MB 1 103 TYR H . . 3.470 2.798 2.530 3.148 . 0 0 "[ . 1 . 2]" 1
1852 1 102 ALA MB 1 110 VAL MG1 . . 3.190 2.719 2.462 3.080 . 0 0 "[ . 1 . 2]" 1
1853 1 102 ALA MB 1 111 SER H . . 4.150 3.445 2.952 3.982 . 0 0 "[ . 1 . 2]" 1
1854 1 102 ALA MB 1 111 SER HB2 . . 3.420 2.003 1.583 2.875 . 0 0 "[ . 1 . 2]" 1
1855 1 102 ALA MB 1 112 PHE HA . . 5.430 4.913 4.505 5.505 0.075 10 0 "[ . 1 . 2]" 1
1856 1 103 TYR H 1 103 TYR HB2 . . 4.050 3.587 2.520 3.974 . 0 0 "[ . 1 . 2]" 1
1857 1 103 TYR H 1 103 TYR HB3 . . 3.550 3.695 3.559 3.821 0.271 16 0 "[ . 1 . 2]" 1
1858 1 103 TYR H 1 110 VAL MG1 . . 5.060 3.505 3.262 4.500 . 0 0 "[ . 1 . 2]" 1
1859 1 103 TYR H 1 110 VAL MG2 . . 5.500 5.648 5.487 5.821 0.321 3 0 "[ . 1 . 2]" 1
1860 1 103 TYR HA 1 104 ASP H . . 2.990 2.473 2.330 2.603 . 0 0 "[ . 1 . 2]" 1
1861 1 103 TYR HA 1 108 ASN H . . 4.810 4.804 3.870 5.033 0.223 13 0 "[ . 1 . 2]" 1
1862 1 103 TYR HA 1 109 LEU HA . . 3.570 2.674 2.061 3.103 . 0 0 "[ . 1 . 2]" 1
1863 1 103 TYR HA 1 109 LEU MD1 . . 5.020 4.743 3.633 5.785 0.765 10 3 "[ . + *- 2]" 1
1864 1 103 TYR HA 1 110 VAL H . . 3.830 2.375 1.868 2.905 . 0 0 "[ . 1 . 2]" 1
1865 1 103 TYR HA 1 110 VAL MG1 . . 4.160 2.800 2.387 3.419 . 0 0 "[ . 1 . 2]" 1
1866 1 103 TYR HA 1 110 VAL MG2 . . 4.470 3.931 3.628 4.373 . 0 0 "[ . 1 . 2]" 1
1867 1 103 TYR HA 1 111 SER H . . 5.030 3.854 3.643 4.120 . 0 0 "[ . 1 . 2]" 1
1868 1 103 TYR HB2 1 104 ASP H . . 3.960 2.621 2.155 3.452 . 0 0 "[ . 1 . 2]" 1
1869 1 103 TYR HB2 1 107 MET H . . 4.450 3.878 3.365 4.662 0.212 8 0 "[ . 1 . 2]" 1
1870 1 103 TYR HB2 1 107 MET HA . . 3.490 2.810 1.890 3.600 0.110 18 0 "[ . 1 . 2]" 1
1871 1 103 TYR HB2 1 107 MET ME . . 5.000 4.404 2.763 5.238 0.238 5 0 "[ . 1 . 2]" 1
1872 1 103 TYR HB2 1 108 ASN H . . 4.790 3.608 2.798 4.851 0.061 7 0 "[ . 1 . 2]" 1
1873 1 103 TYR HB3 1 104 ASP H . . 4.700 3.219 2.409 3.598 . 0 0 "[ . 1 . 2]" 1
1874 1 103 TYR HB3 1 107 MET HA . . 4.710 3.755 1.972 4.750 0.040 18 0 "[ . 1 . 2]" 1
1875 1 103 TYR QE 1 107 MET ME . . 4.440 3.405 2.300 4.594 0.154 12 0 "[ . 1 . 2]" 1
1876 1 103 TYR QE 1 109 LEU MD1 . . 4.020 3.694 2.839 4.297 0.277 3 0 "[ . 1 . 2]" 1
1877 1 104 ASP H 1 104 ASP QB . . 3.580 2.518 2.108 2.916 . 0 0 "[ . 1 . 2]" 1
1878 1 104 ASP H 1 106 ASP H . . 5.500 4.556 4.078 4.921 . 0 0 "[ . 1 . 2]" 1
1879 1 104 ASP H 1 107 MET HA . . 5.000 4.081 3.265 5.040 0.040 12 0 "[ . 1 . 2]" 1
1880 1 104 ASP H 1 108 ASN H . . 4.000 3.103 2.511 3.435 . 0 0 "[ . 1 . 2]" 1
1881 1 104 ASP H 1 108 ASN HB3 . . 5.500 5.337 4.590 5.760 0.260 7 0 "[ . 1 . 2]" 1
1882 1 104 ASP H 1 108 ASN HD22 . . 5.500 5.560 5.039 5.873 0.373 3 0 "[ . 1 . 2]" 1
1883 1 104 ASP H 1 109 LEU HA . . 4.830 4.346 3.944 4.737 . 0 0 "[ . 1 . 2]" 1
1884 1 104 ASP H 1 110 VAL H . . 4.670 4.422 3.851 4.916 0.246 3 0 "[ . 1 . 2]" 1
1885 1 104 ASP H 1 110 VAL MG1 . . 4.120 3.996 3.741 4.228 0.108 2 0 "[ . 1 . 2]" 1
1886 1 104 ASP H 1 110 VAL MG2 . . 3.830 3.907 3.423 4.082 0.252 7 0 "[ . 1 . 2]" 1
1887 1 104 ASP HA 1 105 GLU H . . 3.290 2.536 2.353 2.758 . 0 0 "[ . 1 . 2]" 1
1888 1 104 ASP HA 1 105 GLU HA . . 5.130 4.441 4.339 4.524 . 0 0 "[ . 1 . 2]" 1
1889 1 104 ASP HA 1 106 ASP H . . 5.220 4.220 3.826 4.615 . 0 0 "[ . 1 . 2]" 1
1890 1 104 ASP HA 1 110 VAL MG1 . . 5.070 4.202 3.701 4.674 . 0 0 "[ . 1 . 2]" 1
1891 1 104 ASP HA 1 110 VAL MG2 . . 4.590 4.458 3.912 4.903 0.313 10 0 "[ . 1 . 2]" 1
1892 1 104 ASP QB 1 105 GLU H . . 3.410 2.622 2.016 3.319 . 0 0 "[ . 1 . 2]" 1
1893 1 104 ASP QB 1 106 ASP H . . 3.180 2.696 2.234 3.205 0.025 14 0 "[ . 1 . 2]" 1
1894 1 104 ASP QB 1 107 MET H . . 4.090 3.395 2.568 4.116 0.026 18 0 "[ . 1 . 2]" 1
1895 1 104 ASP QB 1 110 VAL MG1 . . 5.430 4.219 3.713 4.828 . 0 0 "[ . 1 . 2]" 1
1896 1 104 ASP QB 1 110 VAL MG2 . . 3.860 3.355 2.753 4.042 0.182 8 0 "[ . 1 . 2]" 1
1897 1 105 GLU H 1 105 GLU HB2 . . 3.440 2.455 2.360 2.609 . 0 0 "[ . 1 . 2]" 1
1898 1 105 GLU H 1 105 GLU HB3 . . 3.590 3.595 3.567 3.643 0.053 2 0 "[ . 1 . 2]" 1
1899 1 105 GLU H 1 105 GLU HG2 . . 3.930 3.670 3.428 3.891 . 0 0 "[ . 1 . 2]" 1
1900 1 105 GLU H 1 105 GLU HG3 . . 3.720 2.338 2.090 2.556 . 0 0 "[ . 1 . 2]" 1
1901 1 105 GLU H 1 106 ASP H . . 3.860 2.698 2.519 2.804 . 0 0 "[ . 1 . 2]" 1
1902 1 105 GLU HA 1 105 GLU HG2 . . 3.770 2.741 2.496 3.384 . 0 0 "[ . 1 . 2]" 1
1903 1 105 GLU HA 1 105 GLU HG3 . . 3.880 2.842 2.599 3.053 . 0 0 "[ . 1 . 2]" 1
1904 1 105 GLU HB2 1 106 ASP H . . 5.010 3.002 2.523 3.370 . 0 0 "[ . 1 . 2]" 1
1905 1 105 GLU HG3 1 106 ASP H . . 5.340 4.579 4.429 4.736 . 0 0 "[ . 1 . 2]" 1
1906 1 106 ASP H 1 107 MET H . . 3.200 2.624 2.331 3.278 0.078 8 0 "[ . 1 . 2]" 1
1907 1 106 ASP H 1 107 MET HA . . 5.180 4.735 4.508 5.106 . 0 0 "[ . 1 . 2]" 1
1908 1 106 ASP H 1 108 ASN H . . 4.220 4.143 3.917 4.337 0.117 13 0 "[ . 1 . 2]" 1
1909 1 106 ASP H 1 108 ASN HD22 . . 5.500 4.715 4.082 5.421 . 0 0 "[ . 1 . 2]" 1
1910 1 107 MET H 1 107 MET ME . . 5.490 4.708 3.618 5.250 . 0 0 "[ . 1 . 2]" 1
1911 1 107 MET H 1 107 MET HG2 . . 5.420 4.587 3.431 5.457 0.037 13 0 "[ . 1 . 2]" 1
1912 1 107 MET H 1 107 MET HG3 . . 4.590 4.223 3.119 4.968 0.378 12 0 "[ . 1 . 2]" 1
1913 1 107 MET H 1 108 ASN H . . 3.460 2.188 1.545 2.611 . 0 0 "[ . 1 . 2]" 1
1914 1 107 MET H 1 108 ASN HA . . 5.490 4.866 3.953 5.270 . 0 0 "[ . 1 . 2]" 1
1915 1 107 MET HA 1 107 MET ME . . 3.690 3.097 1.763 3.798 0.108 14 0 "[ . 1 . 2]" 1
1916 1 107 MET HB2 1 107 MET ME . . 4.250 2.969 1.962 4.092 . 0 0 "[ . 1 . 2]" 1
1917 1 107 MET HB2 1 108 ASN H . . 5.500 4.310 3.931 4.661 . 0 0 "[ . 1 . 2]" 1
1918 1 107 MET HB3 1 107 MET ME . . 4.390 2.984 1.814 4.173 . 0 0 "[ . 1 . 2]" 1
1919 1 108 ASN H 1 108 ASN HB2 . . 3.360 3.008 2.603 3.587 0.227 17 0 "[ . 1 . 2]" 1
1920 1 108 ASN H 1 108 ASN HB3 . . 3.980 3.496 2.874 3.922 . 0 0 "[ . 1 . 2]" 1
1921 1 108 ASN H 1 108 ASN HD21 . . 5.460 2.958 2.203 4.492 . 0 0 "[ . 1 . 2]" 1
1922 1 108 ASN HA 1 108 ASN HD22 . . 5.500 4.871 4.549 5.453 . 0 0 "[ . 1 . 2]" 1
1923 1 108 ASN HA 1 109 LEU H . . 3.170 2.228 2.171 2.275 . 0 0 "[ . 1 . 2]" 1
1924 1 108 ASN HB2 1 108 ASN HD21 . . 3.650 2.363 2.151 3.420 . 0 0 "[ . 1 . 2]" 1
1925 1 108 ASN HB2 1 108 ASN HD22 . . 3.450 3.514 3.416 3.952 0.502 7 1 "[ . + 1 . 2]" 1
1926 1 108 ASN HB2 1 109 LEU H . . 4.520 3.877 3.117 4.384 . 0 0 "[ . 1 . 2]" 1
1927 1 108 ASN HB3 1 108 ASN HD22 . . 3.920 3.864 3.447 4.027 0.107 14 0 "[ . 1 . 2]" 1
1928 1 108 ASN HB3 1 109 LEU H . . 3.830 3.686 3.239 4.144 0.314 5 0 "[ . 1 . 2]" 1
1929 1 109 LEU H 1 109 LEU QB . . 3.500 2.304 2.149 2.543 . 0 0 "[ . 1 . 2]" 1
1930 1 109 LEU H 1 109 LEU MD1 . . 4.280 3.809 3.248 4.255 . 0 0 "[ . 1 . 2]" 1
1931 1 109 LEU H 1 109 LEU HG . . 3.920 3.710 3.046 4.590 0.670 14 1 "[ . 1 +. 2]" 1
1932 1 109 LEU H 1 110 VAL H . . 4.880 4.419 4.259 4.556 . 0 0 "[ . 1 . 2]" 1
1933 1 109 LEU HA 1 109 LEU MD1 . . 3.270 2.910 1.885 3.747 0.477 2 0 "[ . 1 . 2]" 1
1934 1 109 LEU HA 1 109 LEU HG . . 4.070 3.145 2.071 3.747 . 0 0 "[ . 1 . 2]" 1
1935 1 109 LEU HA 1 110 VAL H . . 2.890 2.059 1.967 2.204 . 0 0 "[ . 1 . 2]" 1
1936 1 109 LEU HA 1 110 VAL MG1 . . 4.230 4.265 4.118 4.492 0.262 2 0 "[ . 1 . 2]" 1
1937 1 109 LEU HA 1 110 VAL MG2 . . 4.840 4.939 4.146 5.165 0.325 8 0 "[ . 1 . 2]" 1
1938 1 109 LEU HA 1 111 SER H . . 3.800 3.415 3.114 3.794 . 0 0 "[ . 1 . 2]" 1
1939 1 109 LEU QB 1 110 VAL H . . 4.240 3.206 2.708 3.820 . 0 0 "[ . 1 . 2]" 1
1940 1 109 LEU QB 1 111 SER H . . 3.920 3.497 3.153 3.894 . 0 0 "[ . 1 . 2]" 1
1941 1 109 LEU QB 1 112 PHE QB . . 4.070 3.377 2.811 4.292 0.222 14 0 "[ . 1 . 2]" 1
1942 1 109 LEU MD1 1 110 VAL H . . 3.870 3.822 3.008 4.629 0.759 20 2 "[ . 1 . -+]" 1
1943 1 109 LEU MD1 1 111 SER H . . 4.210 3.937 3.325 4.507 0.297 1 0 "[ . 1 . 2]" 1
1944 1 109 LEU MD1 1 112 PHE QB . . 4.560 2.591 1.533 3.463 . 0 0 "[ . 1 . 2]" 1
1945 1 109 LEU MD1 1 112 PHE QD . . 4.100 3.462 2.260 4.201 0.101 6 0 "[ . 1 . 2]" 1
1946 1 109 LEU MD2 1 112 PHE QB . . 5.410 3.569 1.811 4.986 . 0 0 "[ . 1 . 2]" 1
1947 1 110 VAL H 1 110 VAL MG1 . . 3.190 2.732 2.492 3.255 0.065 2 0 "[ . 1 . 2]" 1
1948 1 110 VAL H 1 110 VAL MG2 . . 3.710 3.794 3.638 3.929 0.219 11 0 "[ . 1 . 2]" 1
1949 1 110 VAL H 1 111 SER H . . 2.870 1.836 1.527 2.150 . 0 0 "[ . 1 . 2]" 1
1950 1 110 VAL HA 1 110 VAL HB . . 3.010 2.765 2.719 2.930 . 0 0 "[ . 1 . 2]" 1
1951 1 110 VAL HA 1 110 VAL MG2 . . 3.180 2.214 2.167 2.246 . 0 0 "[ . 1 . 2]" 1
1952 1 110 VAL HB 1 111 SER H . . 4.530 3.772 3.412 3.981 . 0 0 "[ . 1 . 2]" 1
1953 1 110 VAL MG1 1 111 SER H . . 3.610 2.779 2.485 3.223 . 0 0 "[ . 1 . 2]" 1
1954 1 110 VAL MG1 1 111 SER HB2 . . 3.950 2.909 2.431 3.488 . 0 0 "[ . 1 . 2]" 1
1955 1 110 VAL MG1 1 111 SER HB3 . . 5.100 3.855 2.865 4.412 . 0 0 "[ . 1 . 2]" 1
1956 1 110 VAL MG2 1 111 SER H . . 4.980 4.373 4.282 4.476 . 0 0 "[ . 1 . 2]" 1
1957 1 111 SER H 1 111 SER HB2 . . 3.980 3.096 2.900 3.509 . 0 0 "[ . 1 . 2]" 1
1958 1 111 SER H 1 112 PHE H . . 4.450 3.657 2.853 4.183 . 0 0 "[ . 1 . 2]" 1
1959 1 111 SER H 1 112 PHE HA . . 4.690 4.617 4.301 4.856 0.166 6 0 "[ . 1 . 2]" 1
1960 1 111 SER H 1 112 PHE QB . . 5.500 4.463 4.059 4.773 . 0 0 "[ . 1 . 2]" 1
1961 1 111 SER HA 1 112 PHE H . . 2.810 2.260 2.158 2.448 . 0 0 "[ . 1 . 2]" 1
1962 1 112 PHE H 1 112 PHE QB . . 3.710 2.473 2.230 2.817 . 0 0 "[ . 1 . 2]" 1
1963 1 112 PHE H 1 112 PHE QD . . 5.500 4.125 4.012 4.240 . 0 0 "[ . 1 . 2]" 1
1964 1 112 PHE H 1 113 THR MG . . 4.920 4.663 3.635 5.284 0.364 10 0 "[ . 1 . 2]" 1
1965 1 112 PHE HA 1 112 PHE QD . . 3.210 3.114 2.942 3.251 0.041 12 0 "[ . 1 . 2]" 1
1966 1 112 PHE HA 1 113 THR H . . 2.970 2.134 2.049 2.186 . 0 0 "[ . 1 . 2]" 1
1967 1 112 PHE HA 1 113 THR MG . . 5.500 4.795 3.956 5.454 . 0 0 "[ . 1 . 2]" 1
1968 1 112 PHE QB 1 113 THR H . . 4.780 3.826 3.534 3.977 . 0 0 "[ . 1 . 2]" 1
1969 1 112 PHE QD 1 113 THR H . . 5.070 3.787 2.902 4.201 . 0 0 "[ . 1 . 2]" 1
1970 1 112 PHE QD 1 113 THR HA . . 3.740 3.820 3.500 4.009 0.269 19 0 "[ . 1 . 2]" 1
1971 1 113 THR H 1 113 THR MG . . 4.110 3.651 2.926 4.046 . 0 0 "[ . 1 . 2]" 1
1972 1 113 THR H 1 114 MET H . . 4.840 4.379 4.308 4.423 . 0 0 "[ . 1 . 2]" 1
1973 1 113 THR HA 1 114 MET H . . 3.040 2.424 2.178 2.572 . 0 0 "[ . 1 . 2]" 1
1974 1 113 THR HB 1 114 MET H . . 3.060 2.809 2.237 3.225 0.165 10 0 "[ . 1 . 2]" 1
1975 1 113 THR MG 1 114 MET H . . 4.200 2.797 1.734 3.851 . 0 0 "[ . 1 . 2]" 1
1976 1 113 THR MG 1 114 MET HA . . 5.130 4.879 4.079 5.415 0.285 1 0 "[ . 1 . 2]" 1
1977 1 114 MET H 1 114 MET HB2 . . 4.120 3.453 2.472 3.918 . 0 0 "[ . 1 . 2]" 1
1978 1 114 MET H 1 114 MET ME . . 4.570 4.401 3.414 4.750 0.180 4 0 "[ . 1 . 2]" 1
1979 1 114 MET H 1 114 MET HG2 . . 3.850 3.514 2.610 4.120 0.270 17 0 "[ . 1 . 2]" 1
1980 1 114 MET H 1 114 MET HG3 . . 4.040 2.764 2.326 4.107 0.067 5 0 "[ . 1 . 2]" 1
1981 1 114 MET HA 1 114 MET HB2 . . 3.000 2.723 2.473 3.029 0.029 20 0 "[ . 1 . 2]" 1
1982 1 114 MET HA 1 114 MET HG2 . . 3.600 3.645 2.761 4.224 0.624 3 6 "[ *+ . 1** -. * 2]" 1
1983 1 114 MET HA 1 114 MET HG3 . . 4.120 3.529 2.602 4.249 0.129 5 0 "[ . 1 . 2]" 1
1984 1 114 MET ME 1 114 MET HG3 . . 3.230 2.928 2.389 3.408 0.178 13 0 "[ . 1 . 2]" 1
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