NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
403327 |
1wjk   |
10060 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1wjk
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 1548
_Distance_constraint_stats_list.Viol_count 2767
_Distance_constraint_stats_list.Viol_total 3771.794
_Distance_constraint_stats_list.Viol_max 0.946
_Distance_constraint_stats_list.Viol_rms 0.0359
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0061
_Distance_constraint_stats_list.Viol_average_violations_only 0.0682
_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 14 ARG 1.601 0.533 3 1 "[ + . 1 . 2]"
1 15 ALA 0.443 0.112 5 0 "[ . 1 . 2]"
1 16 LEU 1.093 0.055 2 0 "[ . 1 . 2]"
1 17 PRO 0.529 0.051 16 0 "[ . 1 . 2]"
1 18 VAL 0.164 0.021 16 0 "[ . 1 . 2]"
1 19 LEU 10.561 0.363 3 0 "[ . 1 . 2]"
1 20 THR 3.448 0.163 17 0 "[ . 1 . 2]"
1 21 LEU 5.528 0.146 18 0 "[ . 1 . 2]"
1 22 PHE 4.056 0.102 19 0 "[ . 1 . 2]"
1 23 THR 2.554 0.158 14 0 "[ . 1 . 2]"
1 24 LYS 10.814 0.830 20 8 "[ . *****. *-+]"
1 25 ALA 2.134 0.263 14 0 "[ . 1 . 2]"
1 26 PRO 0.247 0.126 13 0 "[ . 1 . 2]"
1 27 CYS 9.119 0.830 20 8 "[ . *****. *-+]"
1 28 PRO 2.391 0.315 1 0 "[ . 1 . 2]"
1 29 LEU 0.957 0.282 19 0 "[ . 1 . 2]"
1 30 CYS 0.088 0.025 16 0 "[ . 1 . 2]"
1 31 ASP 0.652 0.080 13 0 "[ . 1 . 2]"
1 32 GLU 0.411 0.057 7 0 "[ . 1 . 2]"
1 33 ALA 3.157 0.125 6 0 "[ . 1 . 2]"
1 34 LYS 3.815 0.171 17 0 "[ . 1 . 2]"
1 35 GLU 1.498 0.218 15 0 "[ . 1 . 2]"
1 36 VAL 7.294 0.173 11 0 "[ . 1 . 2]"
1 37 LEU 12.451 0.180 17 0 "[ . 1 . 2]"
1 38 GLN 13.236 0.946 9 9 "[ .** +*- *** *2]"
1 39 PRO 4.127 0.155 2 0 "[ . 1 . 2]"
1 40 TYR 15.086 0.453 16 0 "[ . 1 . 2]"
1 41 LYS 15.528 0.946 9 9 "[ .** +** *** *2]"
1 42 ASP 4.704 0.693 15 6 "[ .* -* + * *2]"
1 43 ARG 3.246 0.190 5 0 "[ . 1 . 2]"
1 44 PHE 4.486 0.184 6 0 "[ . 1 . 2]"
1 45 ILE 2.026 0.109 15 0 "[ . 1 . 2]"
1 46 LEU 6.946 0.363 3 0 "[ . 1 . 2]"
1 47 GLN 0.237 0.031 3 0 "[ . 1 . 2]"
1 48 GLU 4.625 0.158 14 0 "[ . 1 . 2]"
1 49 VAL 2.155 0.079 17 0 "[ . 1 . 2]"
1 50 ASP 0.573 0.121 4 0 "[ . 1 . 2]"
1 51 ILE 4.356 0.103 9 0 "[ . 1 . 2]"
1 52 THR 1.456 0.092 4 0 "[ . 1 . 2]"
1 53 LEU 0.233 0.121 4 0 "[ . 1 . 2]"
1 54 PRO 0.442 0.119 4 0 "[ . 1 . 2]"
1 55 GLU 0.502 0.119 4 0 "[ . 1 . 2]"
1 56 ASN 0.481 0.041 17 0 "[ . 1 . 2]"
1 57 SER 4.761 0.262 5 0 "[ . 1 . 2]"
1 58 THR 0.629 0.262 7 0 "[ . 1 . 2]"
1 59 TRP 7.871 0.237 19 0 "[ . 1 . 2]"
1 60 TYR 3.300 0.135 14 0 "[ . 1 . 2]"
1 61 GLU 0.757 0.095 17 0 "[ . 1 . 2]"
1 62 ARG 2.208 0.262 7 0 "[ . 1 . 2]"
1 63 TYR 5.316 0.118 6 0 "[ . 1 . 2]"
1 64 LYS 2.467 0.105 17 0 "[ . 1 . 2]"
1 65 PHE 0.627 0.187 17 0 "[ . 1 . 2]"
1 66 ASP 3.125 0.150 19 0 "[ . 1 . 2]"
1 67 ILE 5.595 0.418 9 0 "[ . 1 . 2]"
1 68 PRO 2.668 0.282 19 0 "[ . 1 . 2]"
1 69 VAL 3.745 0.136 3 0 "[ . 1 . 2]"
1 70 PHE 17.092 0.236 17 0 "[ . 1 . 2]"
1 71 HIS 8.136 0.237 19 0 "[ . 1 . 2]"
1 72 LEU 3.589 0.263 8 0 "[ . 1 . 2]"
1 73 ASN 1.633 0.130 13 0 "[ . 1 . 2]"
1 74 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 75 GLN 1.645 0.332 9 0 "[ . 1 . 2]"
1 76 PHE 4.059 0.094 18 0 "[ . 1 . 2]"
1 77 LEU 7.367 0.940 8 2 "[ . + 1 - . 2]"
1 78 MET 4.279 0.169 17 0 "[ . 1 . 2]"
1 79 MET 7.489 0.183 17 0 "[ . 1 . 2]"
1 80 HIS 7.950 0.236 17 0 "[ . 1 . 2]"
1 81 ARG 12.273 0.651 10 5 "[ * .- +* . *]"
1 82 VAL 9.373 0.321 19 0 "[ . 1 . 2]"
1 83 ASN 1.260 0.315 19 0 "[ . 1 . 2]"
1 84 THR 0.632 0.055 20 0 "[ . 1 . 2]"
1 85 SER 0.232 0.039 11 0 "[ . 1 . 2]"
1 86 LYS 4.098 0.399 4 0 "[ . 1 . 2]"
1 87 LEU 1.386 0.077 8 0 "[ . 1 . 2]"
1 88 GLU 10.719 0.352 15 0 "[ . 1 . 2]"
1 89 LYS 0.259 0.121 8 0 "[ . 1 . 2]"
1 90 GLN 5.258 0.940 8 2 "[ . + 1 * . 2]"
1 91 LEU 6.594 0.453 16 0 "[ . 1 . 2]"
1 92 ARG 2.770 0.260 7 0 "[ . 1 . 2]"
1 93 LYS 1.398 0.233 16 0 "[ . 1 . 2]"
1 94 LEU 1.879 0.841 13 2 "[ . - 1 + . 2]"
1 95 SER 0.509 0.190 7 0 "[ . 1 . 2]"
1 96 GLY 2.858 0.527 16 1 "[ . 1 .+ 2]"
1 97 PRO 2.858 0.527 16 1 "[ . 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 14 ARG H 1 14 ARG HB3 . . 4.160 3.472 2.793 3.845 . 0 0 "[ . 1 . 2]" 1
2 1 14 ARG H 1 14 ARG QD . . 5.140 4.758 3.432 5.129 . 0 0 "[ . 1 . 2]" 1
3 1 14 ARG H 1 14 ARG QG . . 4.510 3.700 2.101 4.284 . 0 0 "[ . 1 . 2]" 1
4 1 14 ARG HA 1 14 ARG QG . . 3.110 2.232 1.975 3.328 0.218 1 0 "[ . 1 . 2]" 1
5 1 14 ARG HA 1 15 ALA H . . 3.090 2.324 2.226 2.670 . 0 0 "[ . 1 . 2]" 1
6 1 14 ARG HB2 1 14 ARG QD . . 2.960 2.585 2.073 3.493 0.533 3 1 "[ + . 1 . 2]" 1
7 1 14 ARG HB2 1 15 ALA H . . 4.610 4.340 3.548 4.722 0.112 5 0 "[ . 1 . 2]" 1
8 1 14 ARG HB3 1 15 ALA H . . 4.750 3.544 2.120 4.489 . 0 0 "[ . 1 . 2]" 1
9 1 14 ARG QG 1 15 ALA H . . 4.590 3.448 2.390 4.591 0.001 3 0 "[ . 1 . 2]" 1
10 1 15 ALA H 1 15 ALA MB . . 3.300 2.806 2.509 2.901 . 0 0 "[ . 1 . 2]" 1
11 1 15 ALA H 1 16 LEU H . . 4.240 4.016 3.776 4.232 . 0 0 "[ . 1 . 2]" 1
12 1 15 ALA HA 1 16 LEU H . . 2.840 2.212 2.186 2.273 . 0 0 "[ . 1 . 2]" 1
13 1 15 ALA HA 1 16 LEU HG . . 4.100 3.683 3.499 4.104 0.004 3 0 "[ . 1 . 2]" 1
14 1 15 ALA MB 1 16 LEU H . . 3.360 3.182 2.915 3.352 . 0 0 "[ . 1 . 2]" 1
15 1 16 LEU H 1 16 LEU HB2 . . 3.030 2.546 2.272 2.679 . 0 0 "[ . 1 . 2]" 1
16 1 16 LEU H 1 16 LEU HB3 . . 3.870 3.650 3.528 3.755 . 0 0 "[ . 1 . 2]" 1
17 1 16 LEU H 1 16 LEU MD1 . . 3.970 3.753 3.571 3.980 0.010 3 0 "[ . 1 . 2]" 1
18 1 16 LEU H 1 16 LEU MD2 . . 3.710 3.543 3.412 3.702 . 0 0 "[ . 1 . 2]" 1
19 1 16 LEU H 1 16 LEU HG . . 3.480 2.505 2.279 2.861 . 0 0 "[ . 1 . 2]" 1
20 1 16 LEU H 1 45 ILE MD . . 3.900 3.555 3.131 3.905 0.005 14 0 "[ . 1 . 2]" 1
21 1 16 LEU HA 1 16 LEU MD1 . . 3.930 3.907 3.776 3.939 0.009 1 0 "[ . 1 . 2]" 1
22 1 16 LEU HA 1 16 LEU MD2 . . 2.650 2.070 1.971 2.320 . 0 0 "[ . 1 . 2]" 1
23 1 16 LEU HA 1 16 LEU HG . . 4.150 3.156 3.072 3.212 . 0 0 "[ . 1 . 2]" 1
24 1 16 LEU HA 1 17 PRO HD2 . . 2.860 2.762 2.678 2.775 . 0 0 "[ . 1 . 2]" 1
25 1 16 LEU HA 1 17 PRO HD3 . . 3.040 2.020 1.975 2.027 . 0 0 "[ . 1 . 2]" 1
26 1 16 LEU HB2 1 16 LEU MD1 . . 3.220 2.266 2.220 2.433 . 0 0 "[ . 1 . 2]" 1
27 1 16 LEU HB2 1 17 PRO HD2 . . 4.100 3.487 3.412 3.880 . 0 0 "[ . 1 . 2]" 1
28 1 16 LEU HB2 1 44 PHE HA . . 4.270 2.720 2.479 3.392 . 0 0 "[ . 1 . 2]" 1
29 1 16 LEU HB3 1 16 LEU MD1 . . 3.270 2.384 2.214 2.434 . 0 0 "[ . 1 . 2]" 1
30 1 16 LEU HB3 1 17 PRO HD2 . . 3.610 2.003 1.975 2.262 . 0 0 "[ . 1 . 2]" 1
31 1 16 LEU HB3 1 17 PRO HD3 . . 3.760 2.965 2.920 3.288 . 0 0 "[ . 1 . 2]" 1
32 1 16 LEU HB3 1 17 PRO QG . . 4.210 3.977 3.958 4.158 . 0 0 "[ . 1 . 2]" 1
33 1 16 LEU HB3 1 44 PHE H . . 5.090 4.521 4.305 4.753 . 0 0 "[ . 1 . 2]" 1
34 1 16 LEU HB3 1 44 PHE HA . . 3.950 1.997 1.981 2.082 . 0 0 "[ . 1 . 2]" 1
35 1 16 LEU HB3 1 44 PHE QB . . 4.510 3.229 3.133 3.445 . 0 0 "[ . 1 . 2]" 1
36 1 16 LEU HB3 1 45 ILE H . . 4.430 3.931 3.606 4.107 . 0 0 "[ . 1 . 2]" 1
37 1 16 LEU MD1 1 17 PRO HD2 . . 4.410 3.971 3.719 4.049 . 0 0 "[ . 1 . 2]" 1
38 1 16 LEU MD1 1 43 ARG HA . . 4.110 3.453 3.110 3.656 . 0 0 "[ . 1 . 2]" 1
39 1 16 LEU MD1 1 44 PHE H . . 3.900 3.510 3.251 3.884 . 0 0 "[ . 1 . 2]" 1
40 1 16 LEU MD1 1 44 PHE HA . . 4.240 2.448 2.395 2.502 . 0 0 "[ . 1 . 2]" 1
41 1 16 LEU MD1 1 44 PHE QB . . 4.070 4.085 4.043 4.105 0.035 12 0 "[ . 1 . 2]" 1
42 1 16 LEU MD1 1 45 ILE H . . 4.280 4.309 4.293 4.335 0.055 2 0 "[ . 1 . 2]" 1
43 1 16 LEU MD1 1 45 ILE HG13 . . 3.640 3.545 3.346 3.666 0.026 18 0 "[ . 1 . 2]" 1
44 1 16 LEU MD2 1 17 PRO HD2 . . 3.160 3.088 2.352 3.174 0.014 6 0 "[ . 1 . 2]" 1
45 1 16 LEU MD2 1 17 PRO HD3 . . 3.630 2.908 2.392 3.172 . 0 0 "[ . 1 . 2]" 1
46 1 16 LEU MD2 1 43 ARG HA . . 3.760 3.703 3.524 3.770 0.010 10 0 "[ . 1 . 2]" 1
47 1 16 LEU MD2 1 44 PHE HA . . 4.120 3.706 3.449 3.921 . 0 0 "[ . 1 . 2]" 1
48 1 17 PRO HB2 1 18 VAL H . . 3.810 2.825 2.406 3.060 . 0 0 "[ . 1 . 2]" 1
49 1 17 PRO HB2 1 44 PHE QB . . 4.090 3.648 3.531 3.700 . 0 0 "[ . 1 . 2]" 1
50 1 17 PRO HB2 1 72 LEU QD . . 3.130 2.011 1.838 2.316 . 0 0 "[ . 1 . 2]" 1
51 1 17 PRO HB2 1 73 ASN HD21 . . 4.970 3.447 2.875 4.110 . 0 0 "[ . 1 . 2]" 1
52 1 17 PRO HB2 1 73 ASN HD22 . . 4.550 3.559 2.978 4.144 . 0 0 "[ . 1 . 2]" 1
53 1 17 PRO HB2 1 94 LEU QD . . 3.450 2.814 2.281 3.149 . 0 0 "[ . 1 . 2]" 1
54 1 17 PRO HB3 1 18 VAL H . . 3.930 3.459 3.258 3.587 . 0 0 "[ . 1 . 2]" 1
55 1 17 PRO HB3 1 44 PHE QB . . 4.670 4.689 4.627 4.721 0.051 16 0 "[ . 1 . 2]" 1
56 1 17 PRO HB3 1 72 LEU QD . . 3.390 2.971 2.774 3.261 . 0 0 "[ . 1 . 2]" 1
57 1 17 PRO HB3 1 73 ASN HD21 . . 4.560 2.995 2.334 3.693 . 0 0 "[ . 1 . 2]" 1
58 1 17 PRO HB3 1 73 ASN HD22 . . 3.860 2.334 1.949 2.705 . 0 0 "[ . 1 . 2]" 1
59 1 17 PRO HB3 1 94 LEU QD . . 3.280 2.602 2.142 2.967 . 0 0 "[ . 1 . 2]" 1
60 1 17 PRO HD2 1 44 PHE HA . . 4.180 2.738 2.674 2.827 . 0 0 "[ . 1 . 2]" 1
61 1 17 PRO HD2 1 44 PHE QB . . 4.450 2.341 2.251 2.496 . 0 0 "[ . 1 . 2]" 1
62 1 17 PRO QG 1 18 VAL H . . 4.630 4.464 4.173 4.612 . 0 0 "[ . 1 . 2]" 1
63 1 17 PRO QG 1 44 PHE HA . . 4.230 4.173 4.032 4.244 0.014 12 0 "[ . 1 . 2]" 1
64 1 17 PRO QG 1 44 PHE QB . . 3.590 2.424 2.349 2.472 . 0 0 "[ . 1 . 2]" 1
65 1 17 PRO QG 1 44 PHE QD . . 3.890 3.506 3.357 3.621 . 0 0 "[ . 1 . 2]" 1
66 1 17 PRO QG 1 45 ILE H . . 5.040 4.759 4.500 5.007 . 0 0 "[ . 1 . 2]" 1
67 1 17 PRO QG 1 72 LEU QD . . 3.470 2.387 2.129 2.688 . 0 0 "[ . 1 . 2]" 1
68 1 17 PRO QG 1 73 ASN HD22 . . 4.320 3.811 3.344 4.309 . 0 0 "[ . 1 . 2]" 1
69 1 17 PRO QG 1 91 LEU HA . . 4.200 3.558 3.346 3.845 . 0 0 "[ . 1 . 2]" 1
70 1 17 PRO QG 1 91 LEU MD2 . . 2.950 2.336 2.139 2.553 . 0 0 "[ . 1 . 2]" 1
71 1 18 VAL H 1 18 VAL HB . . 3.280 2.398 2.306 2.513 . 0 0 "[ . 1 . 2]" 1
72 1 18 VAL H 1 18 VAL QG . . 3.210 2.695 2.571 2.856 . 0 0 "[ . 1 . 2]" 1
73 1 18 VAL H 1 19 LEU H . . 5.050 4.301 4.196 4.435 . 0 0 "[ . 1 . 2]" 1
74 1 18 VAL H 1 72 LEU QD . . 4.210 3.545 3.144 3.874 . 0 0 "[ . 1 . 2]" 1
75 1 18 VAL H 1 73 ASN H . . 4.140 3.410 3.085 3.655 . 0 0 "[ . 1 . 2]" 1
76 1 18 VAL H 1 73 ASN HD22 . . 4.820 4.665 4.134 4.840 0.020 7 0 "[ . 1 . 2]" 1
77 1 18 VAL HA 1 18 VAL QG . . 3.190 2.077 2.048 2.093 . 0 0 "[ . 1 . 2]" 1
78 1 18 VAL HA 1 19 LEU H . . 3.230 2.188 2.182 2.216 . 0 0 "[ . 1 . 2]" 1
79 1 18 VAL HA 1 44 PHE QB . . 4.430 3.584 3.414 3.727 . 0 0 "[ . 1 . 2]" 1
80 1 18 VAL HA 1 45 ILE H . . 3.860 2.811 2.715 2.875 . 0 0 "[ . 1 . 2]" 1
81 1 18 VAL HA 1 45 ILE HB . . 3.590 2.449 2.201 2.767 . 0 0 "[ . 1 . 2]" 1
82 1 18 VAL HA 1 45 ILE MD . . 4.230 3.714 3.362 4.197 . 0 0 "[ . 1 . 2]" 1
83 1 18 VAL HA 1 45 ILE MG . . 3.740 3.510 3.265 3.716 . 0 0 "[ . 1 . 2]" 1
84 1 18 VAL HB 1 19 LEU H . . 4.920 4.470 4.320 4.582 . 0 0 "[ . 1 . 2]" 1
85 1 18 VAL HB 1 73 ASN H . . 4.430 4.220 4.079 4.388 . 0 0 "[ . 1 . 2]" 1
86 1 18 VAL HB 1 73 ASN HA . . 4.220 4.138 3.958 4.241 0.021 16 0 "[ . 1 . 2]" 1
87 1 18 VAL QG 1 19 LEU H . . 3.390 3.015 2.780 3.217 . 0 0 "[ . 1 . 2]" 1
88 1 18 VAL QG 1 19 LEU HA . . 4.130 3.807 3.733 3.882 . 0 0 "[ . 1 . 2]" 1
89 1 18 VAL QG 1 20 THR H . . 4.340 3.770 3.665 3.864 . 0 0 "[ . 1 . 2]" 1
90 1 18 VAL QG 1 45 ILE H . . 4.000 3.552 3.430 3.666 . 0 0 "[ . 1 . 2]" 1
91 1 18 VAL QG 1 45 ILE HB . . 3.060 2.216 1.966 2.487 . 0 0 "[ . 1 . 2]" 1
92 1 18 VAL QG 1 47 GLN H . . 4.370 3.651 3.493 3.751 . 0 0 "[ . 1 . 2]" 1
93 1 18 VAL QG 1 47 GLN HB2 . . 3.280 2.424 2.294 2.585 . 0 0 "[ . 1 . 2]" 1
94 1 18 VAL QG 1 47 GLN HB3 . . 3.730 3.458 3.261 3.705 . 0 0 "[ . 1 . 2]" 1
95 1 18 VAL QG 1 47 GLN QE . . 4.600 3.346 1.922 4.337 . 0 0 "[ . 1 . 2]" 1
96 1 18 VAL QG 1 47 GLN QG . . 3.630 3.320 2.947 3.469 . 0 0 "[ . 1 . 2]" 1
97 1 18 VAL QG 1 73 ASN H . . 4.650 4.359 4.302 4.408 . 0 0 "[ . 1 . 2]" 1
98 1 19 LEU H 1 19 LEU HB2 . . 3.790 2.796 2.616 2.942 . 0 0 "[ . 1 . 2]" 1
99 1 19 LEU H 1 19 LEU HB3 . . 3.860 2.441 2.396 2.511 . 0 0 "[ . 1 . 2]" 1
100 1 19 LEU H 1 19 LEU MD2 . . 4.920 4.156 4.100 4.217 . 0 0 "[ . 1 . 2]" 1
101 1 19 LEU H 1 19 LEU HG . . 4.860 4.386 4.337 4.414 . 0 0 "[ . 1 . 2]" 1
102 1 19 LEU H 1 44 PHE QB . . 4.230 3.249 2.964 3.468 . 0 0 "[ . 1 . 2]" 1
103 1 19 LEU H 1 44 PHE QD . . 4.160 3.574 3.397 3.757 . 0 0 "[ . 1 . 2]" 1
104 1 19 LEU H 1 45 ILE H . . 4.100 3.347 3.220 3.549 . 0 0 "[ . 1 . 2]" 1
105 1 19 LEU H 1 45 ILE HB . . 4.420 3.793 3.616 4.040 . 0 0 "[ . 1 . 2]" 1
106 1 19 LEU H 1 45 ILE MG . . 4.790 4.158 3.983 4.324 . 0 0 "[ . 1 . 2]" 1
107 1 19 LEU H 1 47 GLN H . . 4.530 3.528 3.393 3.759 . 0 0 "[ . 1 . 2]" 1
108 1 19 LEU HA 1 19 LEU MD1 . . 3.210 2.392 2.350 2.455 . 0 0 "[ . 1 . 2]" 1
109 1 19 LEU HA 1 19 LEU MD2 . . 4.210 3.927 3.909 3.954 . 0 0 "[ . 1 . 2]" 1
110 1 19 LEU HA 1 19 LEU HG . . 3.820 2.812 2.762 2.889 . 0 0 "[ . 1 . 2]" 1
111 1 19 LEU HA 1 20 THR H . . 3.060 2.181 2.177 2.185 . 0 0 "[ . 1 . 2]" 1
112 1 19 LEU HA 1 71 HIS H . . 4.700 4.150 4.038 4.354 . 0 0 "[ . 1 . 2]" 1
113 1 19 LEU HA 1 72 LEU HA . . 3.900 2.688 2.608 2.764 . 0 0 "[ . 1 . 2]" 1
114 1 19 LEU HA 1 72 LEU QD . . 3.420 2.854 2.790 2.888 . 0 0 "[ . 1 . 2]" 1
115 1 19 LEU HA 1 73 ASN H . . 4.400 3.679 3.409 3.892 . 0 0 "[ . 1 . 2]" 1
116 1 19 LEU HB2 1 19 LEU MD1 . . 3.660 2.249 2.220 2.266 . 0 0 "[ . 1 . 2]" 1
117 1 19 LEU HB2 1 19 LEU MD2 . . 3.310 2.694 2.650 2.734 . 0 0 "[ . 1 . 2]" 1
118 1 19 LEU HB2 1 20 THR H . . 4.730 4.442 4.375 4.485 . 0 0 "[ . 1 . 2]" 1
119 1 19 LEU HB2 1 44 PHE QB . . 4.140 3.362 3.212 3.510 . 0 0 "[ . 1 . 2]" 1
120 1 19 LEU HB2 1 44 PHE QD . . 4.210 3.580 3.462 3.719 . 0 0 "[ . 1 . 2]" 1
121 1 19 LEU HB2 1 46 LEU MD1 . . 3.840 4.020 3.799 4.203 0.363 3 0 "[ . 1 . 2]" 1
122 1 19 LEU HB2 1 72 LEU QD . . 4.190 2.560 2.309 2.716 . 0 0 "[ . 1 . 2]" 1
123 1 19 LEU HB3 1 19 LEU MD2 . . 3.620 1.999 1.966 2.058 . 0 0 "[ . 1 . 2]" 1
124 1 19 LEU HB3 1 20 THR H . . 4.670 4.454 4.436 4.485 . 0 0 "[ . 1 . 2]" 1
125 1 19 LEU HB3 1 44 PHE QB . . 3.820 3.752 3.598 4.004 0.184 6 0 "[ . 1 . 2]" 1
126 1 19 LEU HB3 1 44 PHE QD . . 4.410 2.994 2.877 3.104 . 0 0 "[ . 1 . 2]" 1
127 1 19 LEU HB3 1 45 ILE H . . 5.200 4.773 4.618 4.932 . 0 0 "[ . 1 . 2]" 1
128 1 19 LEU HB3 1 46 LEU MD1 . . 4.190 2.642 2.402 2.849 . 0 0 "[ . 1 . 2]" 1
129 1 19 LEU HB3 1 72 LEU QD . . 3.910 4.004 3.829 4.104 0.194 4 0 "[ . 1 . 2]" 1
130 1 19 LEU MD1 1 20 THR H . . 3.740 3.551 3.456 3.674 . 0 0 "[ . 1 . 2]" 1
131 1 19 LEU MD1 1 44 PHE HZ . . 4.240 4.263 4.231 4.295 0.055 19 0 "[ . 1 . 2]" 1
132 1 19 LEU MD1 1 70 PHE HA . . 4.250 3.654 3.509 3.804 . 0 0 "[ . 1 . 2]" 1
133 1 19 LEU MD1 1 70 PHE HB2 . . 3.900 3.592 3.463 3.735 . 0 0 "[ . 1 . 2]" 1
134 1 19 LEU MD1 1 70 PHE HB3 . . 3.410 2.086 1.978 2.220 . 0 0 "[ . 1 . 2]" 1
135 1 19 LEU MD1 1 70 PHE QD . . 2.990 2.973 2.866 3.025 0.035 14 0 "[ . 1 . 2]" 1
136 1 19 LEU MD1 1 71 HIS H . . 4.160 3.444 3.250 3.691 . 0 0 "[ . 1 . 2]" 1
137 1 19 LEU MD1 1 72 LEU HA . . 3.810 2.529 2.353 2.674 . 0 0 "[ . 1 . 2]" 1
138 1 19 LEU MD1 1 72 LEU HB2 . . 4.120 2.855 2.767 2.996 . 0 0 "[ . 1 . 2]" 1
139 1 19 LEU MD1 1 72 LEU HB3 . . 3.850 3.894 3.862 3.959 0.109 20 0 "[ . 1 . 2]" 1
140 1 19 LEU MD1 1 72 LEU QD . . 2.770 2.458 2.249 2.576 . 0 0 "[ . 1 . 2]" 1
141 1 19 LEU MD1 1 72 LEU HG . . 3.880 1.806 1.769 1.909 . 0 0 "[ . 1 . 2]" 1
142 1 19 LEU MD2 1 20 THR H . . 4.710 4.734 4.686 4.793 0.083 17 0 "[ . 1 . 2]" 1
143 1 19 LEU MD2 1 37 LEU MD1 . . 2.990 1.824 1.748 1.921 . 0 0 "[ . 1 . 2]" 1
144 1 19 LEU MD2 1 37 LEU MD2 . . 3.140 3.052 2.905 3.148 0.008 19 0 "[ . 1 . 2]" 1
145 1 19 LEU MD2 1 37 LEU HG . . 4.400 4.120 4.027 4.235 . 0 0 "[ . 1 . 2]" 1
146 1 19 LEU MD2 1 44 PHE QB . . 4.710 4.385 4.345 4.528 . 0 0 "[ . 1 . 2]" 1
147 1 19 LEU MD2 1 44 PHE QD . . 3.280 3.340 3.317 3.365 0.085 6 0 "[ . 1 . 2]" 1
148 1 19 LEU MD2 1 44 PHE QE . . 3.480 2.213 2.074 2.298 . 0 0 "[ . 1 . 2]" 1
149 1 19 LEU MD2 1 44 PHE HZ . . 4.140 2.492 2.350 2.625 . 0 0 "[ . 1 . 2]" 1
150 1 19 LEU MD2 1 46 LEU MD1 . . 2.870 1.799 1.699 1.859 . 0 0 "[ . 1 . 2]" 1
151 1 19 LEU MD2 1 46 LEU MD2 . . 3.650 3.586 3.399 3.687 0.037 15 0 "[ . 1 . 2]" 1
152 1 19 LEU MD2 1 70 PHE HB3 . . 4.560 3.379 3.206 3.459 . 0 0 "[ . 1 . 2]" 1
153 1 19 LEU MD2 1 70 PHE QD . . 2.990 2.060 1.975 2.156 . 0 0 "[ . 1 . 2]" 1
154 1 19 LEU HG 1 20 THR H . . 3.880 3.275 3.208 3.346 . 0 0 "[ . 1 . 2]" 1
155 1 19 LEU HG 1 70 PHE HA . . 4.670 3.689 3.580 3.805 . 0 0 "[ . 1 . 2]" 1
156 1 19 LEU HG 1 70 PHE QD . . 2.950 3.014 2.981 3.073 0.123 17 0 "[ . 1 . 2]" 1
157 1 19 LEU HG 1 71 HIS H . . 4.890 3.480 3.250 3.679 . 0 0 "[ . 1 . 2]" 1
158 1 20 THR H 1 20 THR HB . . 3.540 2.669 2.453 2.763 . 0 0 "[ . 1 . 2]" 1
159 1 20 THR H 1 20 THR MG . . 4.110 3.653 3.610 3.709 . 0 0 "[ . 1 . 2]" 1
160 1 20 THR H 1 21 LEU H . . 5.040 4.416 4.294 4.555 . 0 0 "[ . 1 . 2]" 1
161 1 20 THR H 1 70 PHE HA . . 4.700 4.608 4.508 4.781 0.081 19 0 "[ . 1 . 2]" 1
162 1 20 THR H 1 71 HIS H . . 3.890 2.837 2.693 3.052 . 0 0 "[ . 1 . 2]" 1
163 1 20 THR H 1 71 HIS HB2 . . 4.360 2.971 2.757 3.198 . 0 0 "[ . 1 . 2]" 1
164 1 20 THR H 1 71 HIS HB3 . . 5.080 4.169 4.046 4.315 . 0 0 "[ . 1 . 2]" 1
165 1 20 THR H 1 72 LEU HA . . 4.280 3.843 3.735 3.928 . 0 0 "[ . 1 . 2]" 1
166 1 20 THR H 1 72 LEU QD . . 4.610 4.532 4.436 4.566 . 0 0 "[ . 1 . 2]" 1
167 1 20 THR HA 1 21 LEU H . . 3.090 2.166 2.150 2.197 . 0 0 "[ . 1 . 2]" 1
168 1 20 THR HA 1 47 GLN H . . 4.010 2.977 2.808 3.136 . 0 0 "[ . 1 . 2]" 1
169 1 20 THR HB 1 21 LEU H . . 5.240 4.317 4.115 4.479 . 0 0 "[ . 1 . 2]" 1
170 1 20 THR HB 1 22 PHE QE . . 3.980 2.861 2.474 3.292 . 0 0 "[ . 1 . 2]" 1
171 1 20 THR HB 1 70 PHE HA . . 4.820 4.466 4.213 4.841 0.021 19 0 "[ . 1 . 2]" 1
172 1 20 THR HB 1 71 HIS H . . 3.970 2.848 2.644 3.148 . 0 0 "[ . 1 . 2]" 1
173 1 20 THR HB 1 71 HIS HA . . 4.840 4.660 4.536 4.799 . 0 0 "[ . 1 . 2]" 1
174 1 20 THR HB 1 71 HIS HB2 . . 3.300 1.925 1.897 1.954 . 0 0 "[ . 1 . 2]" 1
175 1 20 THR HB 1 71 HIS HB3 . . 3.730 3.617 3.437 3.676 . 0 0 "[ . 1 . 2]" 1
176 1 20 THR MG 1 21 LEU H . . 3.500 3.290 2.982 3.516 0.016 2 0 "[ . 1 . 2]" 1
177 1 20 THR MG 1 22 PHE QD . . 3.600 3.644 3.579 3.677 0.077 20 0 "[ . 1 . 2]" 1
178 1 20 THR MG 1 22 PHE QE . . 3.680 2.647 2.384 2.846 . 0 0 "[ . 1 . 2]" 1
179 1 20 THR MG 1 22 PHE HZ . . 4.010 2.546 2.318 2.849 . 0 0 "[ . 1 . 2]" 1
180 1 20 THR MG 1 47 GLN H . . 4.640 4.528 4.360 4.648 0.008 2 0 "[ . 1 . 2]" 1
181 1 20 THR MG 1 47 GLN HB2 . . 4.040 3.759 3.490 4.067 0.027 17 0 "[ . 1 . 2]" 1
182 1 20 THR MG 1 47 GLN HB3 . . 3.840 2.424 2.250 2.621 . 0 0 "[ . 1 . 2]" 1
183 1 20 THR MG 1 47 GLN QG . . 3.970 3.599 3.169 3.823 . 0 0 "[ . 1 . 2]" 1
184 1 20 THR MG 1 49 VAL HB . . 3.740 3.378 3.073 3.618 . 0 0 "[ . 1 . 2]" 1
185 1 20 THR MG 1 49 VAL QG . . 4.030 1.983 1.778 2.302 . 0 0 "[ . 1 . 2]" 1
186 1 20 THR MG 1 71 HIS H . . 4.630 4.371 4.250 4.591 . 0 0 "[ . 1 . 2]" 1
187 1 20 THR MG 1 71 HIS HB2 . . 4.230 3.474 3.401 3.598 . 0 0 "[ . 1 . 2]" 1
188 1 20 THR MG 1 71 HIS HB3 . . 4.570 4.660 4.602 4.733 0.163 17 0 "[ . 1 . 2]" 1
189 1 21 LEU H 1 21 LEU HB2 . . 3.820 3.189 3.019 3.374 . 0 0 "[ . 1 . 2]" 1
190 1 21 LEU H 1 21 LEU HB3 . . 3.590 2.290 2.175 2.439 . 0 0 "[ . 1 . 2]" 1
191 1 21 LEU H 1 21 LEU MD2 . . 5.070 4.278 4.149 4.419 . 0 0 "[ . 1 . 2]" 1
192 1 21 LEU H 1 21 LEU HG . . 4.590 4.014 3.967 4.145 . 0 0 "[ . 1 . 2]" 1
193 1 21 LEU H 1 22 PHE H . . 4.970 4.399 4.298 4.475 . 0 0 "[ . 1 . 2]" 1
194 1 21 LEU H 1 46 LEU MD1 . . 4.210 3.164 2.806 3.464 . 0 0 "[ . 1 . 2]" 1
195 1 21 LEU H 1 47 GLN H . . 4.440 3.125 2.935 3.402 . 0 0 "[ . 1 . 2]" 1
196 1 21 LEU H 1 47 GLN HB2 . . 4.950 4.237 3.981 4.483 . 0 0 "[ . 1 . 2]" 1
197 1 21 LEU H 1 47 GLN HB3 . . 4.350 3.055 2.825 3.295 . 0 0 "[ . 1 . 2]" 1
198 1 21 LEU H 1 49 VAL H . . 4.300 3.504 3.249 3.769 . 0 0 "[ . 1 . 2]" 1
199 1 21 LEU HA 1 21 LEU MD1 . . 3.220 2.328 2.085 2.448 . 0 0 "[ . 1 . 2]" 1
200 1 21 LEU HA 1 22 PHE H . . 3.120 2.180 2.176 2.187 . 0 0 "[ . 1 . 2]" 1
201 1 21 LEU HA 1 22 PHE QD . . 4.330 3.975 3.711 4.136 . 0 0 "[ . 1 . 2]" 1
202 1 21 LEU HA 1 69 VAL H . . 5.210 4.769 4.564 4.932 . 0 0 "[ . 1 . 2]" 1
203 1 21 LEU HA 1 70 PHE HA . . 3.840 3.097 2.961 3.203 . 0 0 "[ . 1 . 2]" 1
204 1 21 LEU HA 1 71 HIS H . . 4.930 4.181 3.955 4.292 . 0 0 "[ . 1 . 2]" 1
205 1 21 LEU HB2 1 21 LEU MD1 . . 3.010 2.406 2.308 2.546 . 0 0 "[ . 1 . 2]" 1
206 1 21 LEU HB2 1 21 LEU MD2 . . 3.470 2.366 2.269 2.454 . 0 0 "[ . 1 . 2]" 1
207 1 21 LEU HB2 1 22 PHE H . . 4.610 4.127 4.074 4.225 . 0 0 "[ . 1 . 2]" 1
208 1 21 LEU HB2 1 48 GLU HA . . 4.230 4.298 4.262 4.376 0.146 18 0 "[ . 1 . 2]" 1
209 1 21 LEU HB3 1 21 LEU MD2 . . 3.210 2.295 2.212 2.377 . 0 0 "[ . 1 . 2]" 1
210 1 21 LEU HB3 1 22 PHE H . . 4.480 4.516 4.489 4.541 0.061 7 0 "[ . 1 . 2]" 1
211 1 21 LEU HB3 1 48 GLU HA . . 3.970 2.685 2.586 2.753 . 0 0 "[ . 1 . 2]" 1
212 1 21 LEU HB3 1 49 VAL H . . 4.890 4.126 4.014 4.229 . 0 0 "[ . 1 . 2]" 1
213 1 21 LEU HB3 1 70 PHE QD . . 5.030 5.096 5.063 5.147 0.117 18 0 "[ . 1 . 2]" 1
214 1 21 LEU MD1 1 22 PHE H . . 3.480 2.235 2.041 2.385 . 0 0 "[ . 1 . 2]" 1
215 1 21 LEU MD1 1 23 THR H . . 5.360 3.442 3.106 3.931 . 0 0 "[ . 1 . 2]" 1
216 1 21 LEU MD1 1 23 THR HB . . 3.870 2.664 2.264 2.999 . 0 0 "[ . 1 . 2]" 1
217 1 21 LEU MD1 1 23 THR MG . . 3.450 3.061 2.658 3.358 . 0 0 "[ . 1 . 2]" 1
218 1 21 LEU MD1 1 33 ALA MB . . 3.350 3.104 2.837 3.363 0.013 13 0 "[ . 1 . 2]" 1
219 1 21 LEU MD1 1 34 LYS QE . . 4.470 3.790 2.885 4.334 . 0 0 "[ . 1 . 2]" 1
220 1 21 LEU MD1 1 46 LEU HG . . 4.780 4.796 4.725 4.842 0.062 19 0 "[ . 1 . 2]" 1
221 1 21 LEU MD1 1 67 ILE MG . . 4.410 4.346 4.183 4.443 0.033 2 0 "[ . 1 . 2]" 1
222 1 21 LEU MD1 1 68 PRO HB2 . . 3.200 2.831 2.468 3.021 . 0 0 "[ . 1 . 2]" 1
223 1 21 LEU MD1 1 68 PRO HB3 . . 3.420 3.049 2.685 3.280 . 0 0 "[ . 1 . 2]" 1
224 1 21 LEU MD1 1 69 VAL H . . 3.990 3.769 3.586 3.944 . 0 0 "[ . 1 . 2]" 1
225 1 21 LEU MD1 1 70 PHE HA . . 4.260 4.176 3.710 4.287 0.027 9 0 "[ . 1 . 2]" 1
226 1 21 LEU MD1 1 70 PHE QE . . 3.210 2.904 2.656 3.226 0.016 14 0 "[ . 1 . 2]" 1
227 1 21 LEU MD2 1 22 PHE H . . 4.690 4.745 4.708 4.792 0.102 19 0 "[ . 1 . 2]" 1
228 1 21 LEU MD2 1 23 THR HB . . 4.310 3.662 3.450 3.846 . 0 0 "[ . 1 . 2]" 1
229 1 21 LEU MD2 1 23 THR MG . . 3.160 3.115 2.853 3.199 0.039 18 0 "[ . 1 . 2]" 1
230 1 21 LEU MD2 1 33 ALA MB . . 3.550 3.523 3.407 3.579 0.029 14 0 "[ . 1 . 2]" 1
231 1 21 LEU MD2 1 34 LYS H . . 4.800 3.800 3.609 3.942 . 0 0 "[ . 1 . 2]" 1
232 1 21 LEU MD2 1 34 LYS HA . . 4.030 3.079 2.909 3.275 . 0 0 "[ . 1 . 2]" 1
233 1 21 LEU MD2 1 34 LYS QD . . 3.870 3.040 2.557 3.534 . 0 0 "[ . 1 . 2]" 1
234 1 21 LEU MD2 1 34 LYS QE . . 3.690 2.304 1.910 2.819 . 0 0 "[ . 1 . 2]" 1
235 1 21 LEU MD2 1 34 LYS HG2 . . 3.310 1.964 1.821 2.140 . 0 0 "[ . 1 . 2]" 1
236 1 21 LEU MD2 1 46 LEU MD1 . . 2.990 2.147 1.928 2.414 . 0 0 "[ . 1 . 2]" 1
237 1 21 LEU MD2 1 46 LEU MD2 . . 3.260 1.935 1.860 1.987 . 0 0 "[ . 1 . 2]" 1
238 1 21 LEU MD2 1 46 LEU HG . . 4.790 2.302 2.206 2.699 . 0 0 "[ . 1 . 2]" 1
239 1 21 LEU MD2 1 48 GLU HB2 . . 4.800 4.299 4.095 4.520 . 0 0 "[ . 1 . 2]" 1
240 1 21 LEU MD2 1 48 GLU HG2 . . 4.240 2.510 2.222 2.803 . 0 0 "[ . 1 . 2]" 1
241 1 21 LEU MD2 1 48 GLU HG3 . . 3.850 2.062 1.908 2.293 . 0 0 "[ . 1 . 2]" 1
242 1 21 LEU MD2 1 70 PHE QE . . 4.030 3.241 3.023 3.391 . 0 0 "[ . 1 . 2]" 1
243 1 21 LEU HG 1 23 THR H . . 4.350 3.668 3.461 3.877 . 0 0 "[ . 1 . 2]" 1
244 1 21 LEU HG 1 23 THR HB . . 3.800 3.566 3.225 3.823 0.023 7 0 "[ . 1 . 2]" 1
245 1 21 LEU HG 1 23 THR MG . . 3.060 2.539 2.379 2.748 . 0 0 "[ . 1 . 2]" 1
246 1 22 PHE H 1 22 PHE QB . . 3.580 2.257 2.214 2.309 . 0 0 "[ . 1 . 2]" 1
247 1 22 PHE H 1 22 PHE QD . . 3.740 2.946 2.799 3.049 . 0 0 "[ . 1 . 2]" 1
248 1 22 PHE H 1 23 THR H . . 4.760 4.160 4.103 4.253 . 0 0 "[ . 1 . 2]" 1
249 1 22 PHE H 1 23 THR MG . . 4.790 4.740 4.533 4.843 0.053 14 0 "[ . 1 . 2]" 1
250 1 22 PHE H 1 69 VAL H . . 4.110 3.058 2.901 3.136 . 0 0 "[ . 1 . 2]" 1
251 1 22 PHE H 1 69 VAL HB . . 4.140 3.813 3.560 4.004 . 0 0 "[ . 1 . 2]" 1
252 1 22 PHE H 1 69 VAL MG1 . . 5.010 4.481 4.317 4.649 . 0 0 "[ . 1 . 2]" 1
253 1 22 PHE H 1 70 PHE HA . . 4.580 4.077 3.883 4.282 . 0 0 "[ . 1 . 2]" 1
254 1 22 PHE HA 1 23 THR H . . 3.150 2.232 2.204 2.248 . 0 0 "[ . 1 . 2]" 1
255 1 22 PHE HA 1 23 THR MG . . 4.540 3.608 3.430 3.740 . 0 0 "[ . 1 . 2]" 1
256 1 22 PHE HA 1 49 VAL H . . 4.050 2.828 2.661 2.998 . 0 0 "[ . 1 . 2]" 1
257 1 22 PHE HA 1 49 VAL HB . . 3.730 2.755 2.677 2.800 . 0 0 "[ . 1 . 2]" 1
258 1 22 PHE HA 1 49 VAL QG . . 3.850 3.538 3.498 3.562 . 0 0 "[ . 1 . 2]" 1
259 1 22 PHE HA 1 51 ILE MG . . 3.940 3.205 3.067 3.409 . 0 0 "[ . 1 . 2]" 1
260 1 22 PHE QB 1 23 THR H . . 4.350 3.717 3.615 3.763 . 0 0 "[ . 1 . 2]" 1
261 1 22 PHE QB 1 49 VAL HB . . 4.380 4.028 3.869 4.119 . 0 0 "[ . 1 . 2]" 1
262 1 22 PHE QB 1 51 ILE H . . 5.190 4.564 4.308 4.742 . 0 0 "[ . 1 . 2]" 1
263 1 22 PHE QB 1 51 ILE MG . . 3.200 2.255 2.007 2.403 . 0 0 "[ . 1 . 2]" 1
264 1 22 PHE QB 1 63 TYR HB3 . . 4.300 4.107 3.906 4.269 . 0 0 "[ . 1 . 2]" 1
265 1 22 PHE QB 1 63 TYR QD . . 4.870 4.251 3.906 4.450 . 0 0 "[ . 1 . 2]" 1
266 1 22 PHE QB 1 67 ILE MD . . 4.120 3.851 3.649 4.039 . 0 0 "[ . 1 . 2]" 1
267 1 22 PHE QB 1 67 ILE MG . . 3.470 2.254 1.992 2.599 . 0 0 "[ . 1 . 2]" 1
268 1 22 PHE QB 1 69 VAL H . . 3.890 2.409 2.105 2.782 . 0 0 "[ . 1 . 2]" 1
269 1 22 PHE QB 1 69 VAL HB . . 3.300 2.383 2.195 2.540 . 0 0 "[ . 1 . 2]" 1
270 1 22 PHE QB 1 69 VAL MG1 . . 3.840 3.748 3.561 3.879 0.039 15 0 "[ . 1 . 2]" 1
271 1 22 PHE QB 1 69 VAL MG2 . . 3.590 3.440 3.161 3.598 0.008 19 0 "[ . 1 . 2]" 1
272 1 22 PHE QD 1 23 THR H . . 4.370 4.396 4.360 4.428 0.058 3 0 "[ . 1 . 2]" 1
273 1 22 PHE QD 1 49 VAL HB . . 3.750 2.333 1.991 2.570 . 0 0 "[ . 1 . 2]" 1
274 1 22 PHE QD 1 49 VAL QG . . 3.200 2.155 2.022 2.302 . 0 0 "[ . 1 . 2]" 1
275 1 22 PHE QD 1 51 ILE MD . . 4.870 4.353 4.209 4.543 . 0 0 "[ . 1 . 2]" 1
276 1 22 PHE QD 1 51 ILE MG . . 3.050 1.912 1.817 2.204 . 0 0 "[ . 1 . 2]" 1
277 1 22 PHE QD 1 59 TRP QB . . 3.590 2.921 2.571 3.176 . 0 0 "[ . 1 . 2]" 1
278 1 22 PHE QD 1 67 ILE MG . . 4.770 3.885 3.628 4.188 . 0 0 "[ . 1 . 2]" 1
279 1 22 PHE QD 1 69 VAL H . . 4.360 3.766 3.409 4.042 . 0 0 "[ . 1 . 2]" 1
280 1 22 PHE QD 1 69 VAL HB . . 2.950 2.417 2.073 2.634 . 0 0 "[ . 1 . 2]" 1
281 1 22 PHE QD 1 69 VAL MG1 . . 3.420 2.671 2.268 2.982 . 0 0 "[ . 1 . 2]" 1
282 1 22 PHE QD 1 69 VAL MG2 . . 4.110 3.990 3.746 4.146 0.036 20 0 "[ . 1 . 2]" 1
283 1 22 PHE QD 1 70 PHE HA . . 4.220 4.141 3.874 4.240 0.020 14 0 "[ . 1 . 2]" 1
284 1 22 PHE QE 1 49 VAL QG . . 3.570 1.894 1.794 2.047 . 0 0 "[ . 1 . 2]" 1
285 1 22 PHE QE 1 59 TRP QB . . 4.810 2.923 2.569 3.411 . 0 0 "[ . 1 . 2]" 1
286 1 22 PHE QE 1 59 TRP HD1 . . 4.180 3.497 3.242 4.029 . 0 0 "[ . 1 . 2]" 1
287 1 22 PHE QE 1 59 TRP HE1 . . 4.930 3.857 3.738 4.106 . 0 0 "[ . 1 . 2]" 1
288 1 22 PHE QE 1 59 TRP HZ2 . . 4.320 4.295 4.149 4.373 0.053 3 0 "[ . 1 . 2]" 1
289 1 22 PHE QE 1 69 VAL MG1 . . 4.570 3.466 2.870 3.817 . 0 0 "[ . 1 . 2]" 1
290 1 22 PHE HZ 1 59 TRP HE1 . . 4.760 4.179 3.889 4.707 . 0 0 "[ . 1 . 2]" 1
291 1 22 PHE HZ 1 59 TRP HE3 . . 4.440 3.675 3.406 4.005 . 0 0 "[ . 1 . 2]" 1
292 1 22 PHE HZ 1 59 TRP HZ3 . . 4.460 3.439 2.932 3.781 . 0 0 "[ . 1 . 2]" 1
293 1 23 THR H 1 23 THR MG . . 3.570 1.970 1.860 2.134 . 0 0 "[ . 1 . 2]" 1
294 1 23 THR H 1 24 LYS H . . 5.500 4.509 4.463 4.555 . 0 0 "[ . 1 . 2]" 1
295 1 23 THR H 1 24 LYS HB3 . . 5.390 5.112 4.980 5.319 . 0 0 "[ . 1 . 2]" 1
296 1 23 THR H 1 48 GLU HG2 . . 5.500 4.360 4.183 4.566 . 0 0 "[ . 1 . 2]" 1
297 1 23 THR H 1 48 GLU HG3 . . 5.290 5.187 4.931 5.448 0.158 14 0 "[ . 1 . 2]" 1
298 1 23 THR H 1 49 VAL H . . 4.400 3.707 3.476 3.853 . 0 0 "[ . 1 . 2]" 1
299 1 23 THR H 1 49 VAL QG . . 5.210 4.632 4.567 4.684 . 0 0 "[ . 1 . 2]" 1
300 1 23 THR H 1 51 ILE H . . 4.340 4.138 4.006 4.232 . 0 0 "[ . 1 . 2]" 1
301 1 23 THR H 1 51 ILE MG . . 3.970 3.985 3.840 4.032 0.062 17 0 "[ . 1 . 2]" 1
302 1 23 THR HA 1 23 THR MG . . 3.560 3.227 3.197 3.240 . 0 0 "[ . 1 . 2]" 1
303 1 23 THR HA 1 67 ILE MD . . 4.230 3.797 3.311 4.173 . 0 0 "[ . 1 . 2]" 1
304 1 23 THR HA 1 67 ILE MG . . 3.810 3.615 3.370 3.823 0.013 16 0 "[ . 1 . 2]" 1
305 1 23 THR HB 1 30 CYS QB . . 3.610 1.993 1.938 2.179 . 0 0 "[ . 1 . 2]" 1
306 1 23 THR MG 1 24 LYS H . . 3.820 3.724 3.510 3.868 0.048 14 0 "[ . 1 . 2]" 1
307 1 23 THR MG 1 30 CYS QB . . 4.060 3.433 3.230 3.521 . 0 0 "[ . 1 . 2]" 1
308 1 23 THR MG 1 48 GLU HB3 . . 3.980 3.281 2.971 3.659 . 0 0 "[ . 1 . 2]" 1
309 1 23 THR MG 1 48 GLU HG2 . . 3.530 2.192 2.013 2.411 . 0 0 "[ . 1 . 2]" 1
310 1 23 THR MG 1 48 GLU HG3 . . 3.470 3.327 3.078 3.550 0.080 12 0 "[ . 1 . 2]" 1
311 1 23 THR MG 1 49 VAL H . . 4.050 3.826 3.601 4.079 0.029 18 0 "[ . 1 . 2]" 1
312 1 24 LYS H 1 24 LYS HG2 . . 4.080 3.104 2.441 3.599 . 0 0 "[ . 1 . 2]" 1
313 1 24 LYS H 1 24 LYS HG3 . . 4.410 2.809 2.379 2.971 . 0 0 "[ . 1 . 2]" 1
314 1 24 LYS H 1 25 ALA H . . 5.060 4.256 3.956 4.348 . 0 0 "[ . 1 . 2]" 1
315 1 24 LYS H 1 30 CYS QB . . 4.950 2.693 2.291 3.293 . 0 0 "[ . 1 . 2]" 1
316 1 24 LYS H 1 67 ILE MD . . 4.220 4.086 3.711 4.248 0.028 5 0 "[ . 1 . 2]" 1
317 1 24 LYS HA 1 25 ALA H . . 3.300 2.545 2.178 2.735 . 0 0 "[ . 1 . 2]" 1
318 1 24 LYS HA 1 51 ILE H . . 5.180 4.314 4.030 4.450 . 0 0 "[ . 1 . 2]" 1
319 1 24 LYS HA 1 52 THR H . . 4.900 4.007 3.696 4.110 . 0 0 "[ . 1 . 2]" 1
320 1 24 LYS HA 1 52 THR MG . . 3.780 2.031 1.861 2.373 . 0 0 "[ . 1 . 2]" 1
321 1 24 LYS HB2 1 25 ALA H . . 3.710 2.593 2.038 3.537 . 0 0 "[ . 1 . 2]" 1
322 1 24 LYS HB2 1 51 ILE H . . 5.220 4.957 4.756 5.233 0.013 19 0 "[ . 1 . 2]" 1
323 1 24 LYS HB2 1 52 THR MG . . 3.340 1.854 1.767 2.004 . 0 0 "[ . 1 . 2]" 1
324 1 24 LYS HB2 1 67 ILE MD . . 4.100 3.897 3.506 4.245 0.145 14 0 "[ . 1 . 2]" 1
325 1 24 LYS HB3 1 25 ALA H . . 4.070 3.882 3.555 4.333 0.263 14 0 "[ . 1 . 2]" 1
326 1 24 LYS HB3 1 52 THR H . . 4.090 3.906 3.300 4.130 0.040 4 0 "[ . 1 . 2]" 1
327 1 24 LYS HB3 1 52 THR MG . . 3.110 2.444 2.081 2.788 . 0 0 "[ . 1 . 2]" 1
328 1 24 LYS HB3 1 67 ILE MD . . 4.000 3.060 2.513 3.551 . 0 0 "[ . 1 . 2]" 1
329 1 24 LYS HD2 1 67 ILE MD . . 3.370 3.070 1.938 3.788 0.418 9 0 "[ . 1 . 2]" 1
330 1 24 LYS HD3 1 67 ILE MD . . 3.690 2.113 1.756 3.740 0.050 4 0 "[ . 1 . 2]" 1
331 1 24 LYS QE 1 24 LYS HG2 . . 3.370 2.987 2.102 3.336 . 0 0 "[ . 1 . 2]" 1
332 1 24 LYS QE 1 24 LYS HG3 . . 3.040 2.221 1.956 3.101 0.061 4 0 "[ . 1 . 2]" 1
333 1 24 LYS QE 1 25 ALA H . . 5.500 3.873 2.019 5.582 0.082 12 0 "[ . 1 . 2]" 1
334 1 24 LYS QE 1 52 THR MG . . 4.170 3.816 2.527 4.213 0.043 15 0 "[ . 1 . 2]" 1
335 1 24 LYS QE 1 67 ILE MD . . 3.580 3.200 1.733 3.646 0.066 5 0 "[ . 1 . 2]" 1
336 1 24 LYS HG2 1 27 CYS HB2 . . 4.080 4.093 3.454 4.910 0.830 20 8 "[ . *****. *-+]" 1
337 1 24 LYS HG2 1 27 CYS HB3 . . 4.700 4.086 3.759 4.543 . 0 0 "[ . 1 . 2]" 1
338 1 24 LYS HG2 1 67 ILE MD . . 3.200 1.859 1.761 2.022 . 0 0 "[ . 1 . 2]" 1
339 1 24 LYS HG3 1 25 ALA H . . 4.700 3.668 3.105 4.536 . 0 0 "[ . 1 . 2]" 1
340 1 24 LYS HG3 1 27 CYS HB2 . . 4.170 2.920 1.985 4.454 0.284 14 0 "[ . 1 . 2]" 1
341 1 24 LYS HG3 1 27 CYS HB3 . . 4.650 2.924 2.436 3.198 . 0 0 "[ . 1 . 2]" 1
342 1 24 LYS HG3 1 30 CYS QB . . 4.990 4.378 3.863 4.761 . 0 0 "[ . 1 . 2]" 1
343 1 25 ALA H 1 25 ALA MB . . 3.090 2.563 2.215 2.778 . 0 0 "[ . 1 . 2]" 1
344 1 25 ALA H 1 52 THR H . . 5.430 5.393 5.123 5.499 0.069 20 0 "[ . 1 . 2]" 1
345 1 25 ALA H 1 52 THR MG . . 4.220 2.265 1.916 2.846 . 0 0 "[ . 1 . 2]" 1
346 1 25 ALA MB 1 26 PRO HB2 . . 4.740 4.618 4.420 4.866 0.126 13 0 "[ . 1 . 2]" 1
347 1 25 ALA MB 1 26 PRO HB3 . . 4.150 3.801 3.614 4.058 . 0 0 "[ . 1 . 2]" 1
348 1 25 ALA MB 1 26 PRO HD2 . . 5.010 4.653 4.605 4.710 . 0 0 "[ . 1 . 2]" 1
349 1 25 ALA MB 1 26 PRO HD3 . . 4.310 4.078 4.034 4.144 . 0 0 "[ . 1 . 2]" 1
350 1 25 ALA MB 1 26 PRO QG . . 4.740 4.558 4.450 4.704 . 0 0 "[ . 1 . 2]" 1
351 1 25 ALA MB 1 27 CYS H . . 5.070 3.539 3.028 4.162 . 0 0 "[ . 1 . 2]" 1
352 1 27 CYS H 1 28 PRO HD3 . . 5.340 3.531 3.308 3.747 . 0 0 "[ . 1 . 2]" 1
353 1 27 CYS HA 1 28 PRO HD2 . . 3.500 2.229 2.213 2.256 . 0 0 "[ . 1 . 2]" 1
354 1 27 CYS HA 1 28 PRO HD3 . . 3.510 2.110 2.041 2.181 . 0 0 "[ . 1 . 2]" 1
355 1 27 CYS HB2 1 28 PRO HD3 . . 4.580 4.602 4.307 4.895 0.315 1 0 "[ . 1 . 2]" 1
356 1 27 CYS HB2 1 30 CYS QB . . 4.020 3.044 1.954 3.959 . 0 0 "[ . 1 . 2]" 1
357 1 27 CYS HB3 1 30 CYS QB . . 3.880 2.769 2.354 3.194 . 0 0 "[ . 1 . 2]" 1
358 1 28 PRO HA 1 31 ASP H . . 4.980 3.632 3.042 3.918 . 0 0 "[ . 1 . 2]" 1
359 1 28 PRO HA 1 31 ASP QB . . 3.690 2.663 2.384 2.955 . 0 0 "[ . 1 . 2]" 1
360 1 28 PRO HA 1 32 GLU H . . 4.690 4.238 3.569 4.747 0.057 7 0 "[ . 1 . 2]" 1
361 1 28 PRO HB2 1 29 LEU QD . . 4.480 2.848 2.402 3.319 . 0 0 "[ . 1 . 2]" 1
362 1 28 PRO HB2 1 31 ASP QB . . 4.800 4.579 4.241 4.838 0.038 12 0 "[ . 1 . 2]" 1
363 1 28 PRO HB3 1 29 LEU QD . . 4.750 4.163 3.667 4.636 . 0 0 "[ . 1 . 2]" 1
364 1 28 PRO HB3 1 31 ASP QB . . 4.710 4.569 4.142 4.775 0.065 13 0 "[ . 1 . 2]" 1
365 1 28 PRO HD2 1 29 LEU H . . 4.260 2.346 2.253 2.722 . 0 0 "[ . 1 . 2]" 1
366 1 28 PRO HD3 1 29 LEU H . . 4.850 3.694 3.656 3.834 . 0 0 "[ . 1 . 2]" 1
367 1 28 PRO QG 1 29 LEU QD . . 3.930 2.410 1.936 2.889 . 0 0 "[ . 1 . 2]" 1
368 1 29 LEU H 1 29 LEU HB2 . . 4.030 2.479 2.178 2.823 . 0 0 "[ . 1 . 2]" 1
369 1 29 LEU H 1 29 LEU HG . . 4.140 2.898 1.957 4.044 . 0 0 "[ . 1 . 2]" 1
370 1 29 LEU HA 1 29 LEU QD . . 2.900 2.220 1.978 2.602 . 0 0 "[ . 1 . 2]" 1
371 1 29 LEU HA 1 29 LEU HG . . 3.820 3.156 2.405 3.733 . 0 0 "[ . 1 . 2]" 1
372 1 29 LEU HA 1 32 GLU H . . 3.860 3.253 3.016 3.844 . 0 0 "[ . 1 . 2]" 1
373 1 29 LEU HA 1 32 GLU HB2 . . 3.430 3.068 2.809 3.437 0.007 19 0 "[ . 1 . 2]" 1
374 1 29 LEU HA 1 32 GLU HB3 . . 3.770 3.300 2.895 3.777 0.007 13 0 "[ . 1 . 2]" 1
375 1 29 LEU HB2 1 29 LEU QD . . 3.240 2.295 1.955 2.497 . 0 0 "[ . 1 . 2]" 1
376 1 29 LEU HB2 1 68 PRO HD2 . . 3.950 3.950 3.734 4.007 0.057 13 0 "[ . 1 . 2]" 1
377 1 29 LEU HB2 1 68 PRO HD3 . . 3.800 2.477 2.282 2.620 . 0 0 "[ . 1 . 2]" 1
378 1 29 LEU HB3 1 29 LEU QD . . 3.170 2.159 2.026 2.562 . 0 0 "[ . 1 . 2]" 1
379 1 29 LEU HB3 1 68 PRO HD2 . . 3.700 3.457 2.974 3.982 0.282 19 0 "[ . 1 . 2]" 1
380 1 29 LEU HB3 1 68 PRO HD3 . . 3.610 2.663 2.028 3.303 . 0 0 "[ . 1 . 2]" 1
381 1 29 LEU QD 1 32 GLU HB2 . . 4.530 4.143 3.651 4.455 . 0 0 "[ . 1 . 2]" 1
382 1 29 LEU QD 1 68 PRO HD2 . . 3.820 3.443 2.775 3.789 . 0 0 "[ . 1 . 2]" 1
383 1 29 LEU QD 1 68 PRO HD3 . . 3.900 2.984 2.549 3.583 . 0 0 "[ . 1 . 2]" 1
384 1 29 LEU HG 1 68 PRO HD3 . . 4.670 4.424 3.421 4.687 0.017 3 0 "[ . 1 . 2]" 1
385 1 30 CYS H 1 31 ASP H . . 5.120 2.889 2.585 3.184 . 0 0 "[ . 1 . 2]" 1
386 1 30 CYS H 1 33 ALA MB . . 4.300 4.079 3.813 4.306 0.006 3 0 "[ . 1 . 2]" 1
387 1 30 CYS HA 1 32 GLU H . . 5.040 4.799 4.383 5.065 0.025 16 0 "[ . 1 . 2]" 1
388 1 30 CYS HA 1 33 ALA H . . 3.930 3.590 3.229 3.867 . 0 0 "[ . 1 . 2]" 1
389 1 30 CYS HA 1 33 ALA MB . . 3.220 2.227 1.947 2.537 . 0 0 "[ . 1 . 2]" 1
390 1 30 CYS HA 1 68 PRO HB2 . . 4.190 3.632 3.263 4.001 . 0 0 "[ . 1 . 2]" 1
391 1 30 CYS HA 1 68 PRO HB3 . . 3.900 2.568 1.994 3.063 . 0 0 "[ . 1 . 2]" 1
392 1 30 CYS QB 1 31 ASP H . . 4.100 2.944 2.111 3.697 . 0 0 "[ . 1 . 2]" 1
393 1 30 CYS QB 1 33 ALA MB . . 4.630 3.852 3.573 4.061 . 0 0 "[ . 1 . 2]" 1
394 1 31 ASP H 1 31 ASP QB . . 3.380 2.103 1.996 2.450 . 0 0 "[ . 1 . 2]" 1
395 1 31 ASP HA 1 34 LYS H . . 4.460 4.026 3.873 4.299 . 0 0 "[ . 1 . 2]" 1
396 1 31 ASP HA 1 34 LYS QB . . 3.680 3.539 3.229 3.760 0.080 13 0 "[ . 1 . 2]" 1
397 1 31 ASP HA 1 34 LYS QD . . 3.630 2.723 1.993 3.576 . 0 0 "[ . 1 . 2]" 1
398 1 31 ASP HA 1 34 LYS QE . . 4.420 4.106 2.883 4.425 0.005 17 0 "[ . 1 . 2]" 1
399 1 31 ASP QB 1 32 GLU H . . 3.560 2.331 2.026 2.521 . 0 0 "[ . 1 . 2]" 1
400 1 32 GLU H 1 32 GLU HB2 . . 3.370 2.100 2.038 2.176 . 0 0 "[ . 1 . 2]" 1
401 1 32 GLU H 1 32 GLU HB3 . . 3.320 2.968 2.833 3.090 . 0 0 "[ . 1 . 2]" 1
402 1 32 GLU H 1 32 GLU HG3 . . 4.170 4.158 4.076 4.226 0.056 13 0 "[ . 1 . 2]" 1
403 1 32 GLU H 1 33 ALA H . . 3.540 2.781 2.538 2.966 . 0 0 "[ . 1 . 2]" 1
404 1 32 GLU H 1 33 ALA MB . . 4.330 4.176 3.969 4.340 0.010 7 0 "[ . 1 . 2]" 1
405 1 32 GLU H 1 34 LYS H . . 4.810 4.615 4.439 4.789 . 0 0 "[ . 1 . 2]" 1
406 1 32 GLU HA 1 32 GLU HG3 . . 3.450 2.085 2.055 2.122 . 0 0 "[ . 1 . 2]" 1
407 1 32 GLU HA 1 34 LYS H . . 4.870 4.623 4.503 4.858 . 0 0 "[ . 1 . 2]" 1
408 1 32 GLU HA 1 35 GLU H . . 3.800 3.265 3.181 3.394 . 0 0 "[ . 1 . 2]" 1
409 1 32 GLU HA 1 36 VAL MG2 . . 4.000 3.883 3.573 4.015 0.015 4 0 "[ . 1 . 2]" 1
410 1 32 GLU HB2 1 33 ALA H . . 3.730 3.427 3.276 3.558 . 0 0 "[ . 1 . 2]" 1
411 1 32 GLU HB3 1 33 ALA H . . 3.850 2.572 2.364 2.837 . 0 0 "[ . 1 . 2]" 1
412 1 32 GLU HB3 1 33 ALA MB . . 4.310 4.084 3.934 4.241 . 0 0 "[ . 1 . 2]" 1
413 1 32 GLU HG2 1 36 VAL MG2 . . 3.650 3.319 2.719 3.582 . 0 0 "[ . 1 . 2]" 1
414 1 32 GLU HG3 1 33 ALA H . . 4.970 4.683 4.555 4.800 . 0 0 "[ . 1 . 2]" 1
415 1 32 GLU HG3 1 36 VAL MG2 . . 3.600 3.500 3.166 3.617 0.017 19 0 "[ . 1 . 2]" 1
416 1 33 ALA H 1 33 ALA MB . . 2.830 2.002 1.970 2.053 . 0 0 "[ . 1 . 2]" 1
417 1 33 ALA H 1 34 LYS QB . . 5.020 4.948 4.868 5.030 0.010 9 0 "[ . 1 . 2]" 1
418 1 33 ALA H 1 36 VAL MG2 . . 5.000 3.740 3.492 3.853 . 0 0 "[ . 1 . 2]" 1
419 1 33 ALA H 1 82 VAL MG2 . . 3.960 3.789 3.558 4.030 0.070 3 0 "[ . 1 . 2]" 1
420 1 33 ALA HA 1 35 GLU H . . 4.690 4.578 4.494 4.668 . 0 0 "[ . 1 . 2]" 1
421 1 33 ALA HA 1 36 VAL H . . 4.370 3.294 3.249 3.366 . 0 0 "[ . 1 . 2]" 1
422 1 33 ALA HA 1 36 VAL HB . . 3.380 2.819 2.759 2.870 . 0 0 "[ . 1 . 2]" 1
423 1 33 ALA HA 1 36 VAL MG1 . . 3.910 3.990 3.957 4.035 0.125 6 0 "[ . 1 . 2]" 1
424 1 33 ALA HA 1 36 VAL MG2 . . 3.910 2.150 1.943 2.322 . 0 0 "[ . 1 . 2]" 1
425 1 33 ALA HA 1 82 VAL MG2 . . 2.950 1.916 1.800 2.038 . 0 0 "[ . 1 . 2]" 1
426 1 33 ALA MB 1 34 LYS H . . 3.150 2.408 2.288 2.464 . 0 0 "[ . 1 . 2]" 1
427 1 33 ALA MB 1 34 LYS HA . . 4.130 3.632 3.601 3.666 . 0 0 "[ . 1 . 2]" 1
428 1 33 ALA MB 1 34 LYS HG3 . . 3.560 3.200 3.087 3.364 . 0 0 "[ . 1 . 2]" 1
429 1 33 ALA MB 1 35 GLU H . . 4.500 4.501 4.450 4.522 0.022 4 0 "[ . 1 . 2]" 1
430 1 33 ALA MB 1 36 VAL H . . 4.960 4.267 4.248 4.283 . 0 0 "[ . 1 . 2]" 1
431 1 33 ALA MB 1 82 VAL HB . . 3.870 3.921 3.768 3.956 0.086 4 0 "[ . 1 . 2]" 1
432 1 33 ALA MB 1 82 VAL MG1 . . 4.050 3.724 3.490 4.078 0.028 7 0 "[ . 1 . 2]" 1
433 1 33 ALA MB 1 82 VAL MG2 . . 2.440 1.799 1.759 1.884 . 0 0 "[ . 1 . 2]" 1
434 1 34 LYS H 1 34 LYS QB . . 3.190 2.420 2.326 2.496 . 0 0 "[ . 1 . 2]" 1
435 1 34 LYS H 1 34 LYS QE . . 5.010 4.380 3.170 4.811 . 0 0 "[ . 1 . 2]" 1
436 1 34 LYS H 1 34 LYS HG2 . . 3.660 3.572 3.368 3.705 0.045 14 0 "[ . 1 . 2]" 1
437 1 34 LYS H 1 34 LYS HG3 . . 3.940 2.149 1.954 2.286 . 0 0 "[ . 1 . 2]" 1
438 1 34 LYS H 1 35 GLU H . . 3.430 2.959 2.932 2.988 . 0 0 "[ . 1 . 2]" 1
439 1 34 LYS H 1 36 VAL H . . 5.220 3.983 3.955 4.005 . 0 0 "[ . 1 . 2]" 1
440 1 34 LYS H 1 82 VAL MG2 . . 4.760 4.278 4.129 4.389 . 0 0 "[ . 1 . 2]" 1
441 1 34 LYS HA 1 34 LYS HG2 . . 3.260 2.735 2.335 3.019 . 0 0 "[ . 1 . 2]" 1
442 1 34 LYS HA 1 34 LYS HG3 . . 3.260 2.596 2.420 2.913 . 0 0 "[ . 1 . 2]" 1
443 1 34 LYS HA 1 36 VAL H . . 4.780 3.878 3.817 3.935 . 0 0 "[ . 1 . 2]" 1
444 1 34 LYS HA 1 37 LEU H . . 3.850 3.077 3.012 3.124 . 0 0 "[ . 1 . 2]" 1
445 1 34 LYS HA 1 37 LEU HB2 . . 3.910 2.505 2.431 2.534 . 0 0 "[ . 1 . 2]" 1
446 1 34 LYS HA 1 37 LEU HB3 . . 4.180 4.209 4.136 4.233 0.053 19 0 "[ . 1 . 2]" 1
447 1 34 LYS HA 1 37 LEU MD1 . . 3.310 3.442 3.408 3.481 0.171 17 0 "[ . 1 . 2]" 1
448 1 34 LYS HA 1 37 LEU HG . . 4.510 3.313 3.256 3.419 . 0 0 "[ . 1 . 2]" 1
449 1 34 LYS QB 1 34 LYS QD . . 2.790 2.035 1.945 2.136 . 0 0 "[ . 1 . 2]" 1
450 1 34 LYS QB 1 34 LYS QE . . 3.690 3.257 2.679 3.551 . 0 0 "[ . 1 . 2]" 1
451 1 34 LYS QB 1 35 GLU H . . 3.710 2.513 2.458 2.569 . 0 0 "[ . 1 . 2]" 1
452 1 34 LYS QB 1 35 GLU HA . . 4.380 3.866 3.857 3.880 . 0 0 "[ . 1 . 2]" 1
453 1 34 LYS QB 1 35 GLU HG2 . . 3.680 3.421 3.146 3.594 . 0 0 "[ . 1 . 2]" 1
454 1 34 LYS QB 1 36 VAL H . . 5.220 4.417 4.381 4.455 . 0 0 "[ . 1 . 2]" 1
455 1 34 LYS QE 1 34 LYS HG3 . . 3.670 2.835 2.016 3.251 . 0 0 "[ . 1 . 2]" 1
456 1 35 GLU H 1 35 GLU QB . . 3.050 2.644 2.617 2.665 . 0 0 "[ . 1 . 2]" 1
457 1 35 GLU H 1 35 GLU HG2 . . 3.670 2.343 1.944 2.512 . 0 0 "[ . 1 . 2]" 1
458 1 35 GLU H 1 35 GLU HG3 . . 3.720 2.062 1.942 2.394 . 0 0 "[ . 1 . 2]" 1
459 1 35 GLU H 1 36 VAL H . . 3.450 2.745 2.714 2.766 . 0 0 "[ . 1 . 2]" 1
460 1 35 GLU H 1 36 VAL MG2 . . 3.980 3.755 3.673 3.849 . 0 0 "[ . 1 . 2]" 1
461 1 35 GLU HA 1 35 GLU QB . . 2.760 2.327 2.319 2.339 . 0 0 "[ . 1 . 2]" 1
462 1 35 GLU HA 1 35 GLU HG2 . . 3.250 2.527 2.483 2.592 . 0 0 "[ . 1 . 2]" 1
463 1 35 GLU HA 1 37 LEU H . . 4.700 3.831 3.748 3.921 . 0 0 "[ . 1 . 2]" 1
464 1 35 GLU HA 1 38 GLN H . . 3.950 3.479 3.099 3.790 . 0 0 "[ . 1 . 2]" 1
465 1 35 GLU HA 1 38 GLN HG2 . . 3.380 3.437 3.400 3.598 0.218 15 0 "[ . 1 . 2]" 1
466 1 35 GLU HA 1 38 GLN HG3 . . 3.580 2.127 1.990 2.562 . 0 0 "[ . 1 . 2]" 1
467 1 35 GLU QB 1 36 VAL H . . 3.570 2.973 2.933 3.016 . 0 0 "[ . 1 . 2]" 1
468 1 35 GLU QB 1 36 VAL MG2 . . 3.980 2.820 2.777 2.884 . 0 0 "[ . 1 . 2]" 1
469 1 35 GLU HG2 1 36 VAL H . . 4.800 4.634 4.370 4.736 . 0 0 "[ . 1 . 2]" 1
470 1 35 GLU HG3 1 36 VAL H . . 4.420 4.195 4.100 4.375 . 0 0 "[ . 1 . 2]" 1
471 1 35 GLU HG3 1 36 VAL MG2 . . 4.320 4.328 4.290 4.378 0.058 13 0 "[ . 1 . 2]" 1
472 1 36 VAL H 1 36 VAL MG1 . . 3.750 3.734 3.728 3.740 . 0 0 "[ . 1 . 2]" 1
473 1 36 VAL H 1 36 VAL MG2 . . 2.800 1.983 1.907 2.128 . 0 0 "[ . 1 . 2]" 1
474 1 36 VAL H 1 37 LEU H . . 3.580 2.356 2.318 2.392 . 0 0 "[ . 1 . 2]" 1
475 1 36 VAL H 1 38 GLN H . . 5.150 3.863 3.648 4.071 . 0 0 "[ . 1 . 2]" 1
476 1 36 VAL H 1 82 VAL MG2 . . 4.840 4.141 4.017 4.223 . 0 0 "[ . 1 . 2]" 1
477 1 36 VAL HA 1 36 VAL MG2 . . 2.730 2.533 2.498 2.550 . 0 0 "[ . 1 . 2]" 1
478 1 36 VAL HA 1 37 LEU MD2 . . 4.340 4.427 4.401 4.470 0.130 2 0 "[ . 1 . 2]" 1
479 1 36 VAL HA 1 38 GLN H . . 4.260 3.575 3.417 3.821 . 0 0 "[ . 1 . 2]" 1
480 1 36 VAL HB 1 37 LEU H . . 3.690 3.222 3.144 3.292 . 0 0 "[ . 1 . 2]" 1
481 1 36 VAL HB 1 82 VAL MG1 . . 3.810 2.245 1.961 2.571 . 0 0 "[ . 1 . 2]" 1
482 1 36 VAL HB 1 82 VAL MG2 . . 3.380 2.792 2.670 2.907 . 0 0 "[ . 1 . 2]" 1
483 1 36 VAL MG1 1 37 LEU H . . 4.490 4.083 4.034 4.125 . 0 0 "[ . 1 . 2]" 1
484 1 36 VAL MG1 1 40 TYR QE . . 3.380 3.404 3.375 3.434 0.054 8 0 "[ . 1 . 2]" 1
485 1 36 VAL MG1 1 82 VAL H . . 4.430 4.142 3.952 4.320 . 0 0 "[ . 1 . 2]" 1
486 1 36 VAL MG1 1 82 VAL HB . . 3.090 2.063 1.963 2.281 . 0 0 "[ . 1 . 2]" 1
487 1 36 VAL MG1 1 82 VAL MG1 . . 2.950 2.030 1.804 2.420 . 0 0 "[ . 1 . 2]" 1
488 1 36 VAL MG2 1 37 LEU H . . 3.700 3.855 3.842 3.873 0.173 11 0 "[ . 1 . 2]" 1
489 1 36 VAL MG2 1 38 GLN H . . 5.170 4.902 4.849 4.956 . 0 0 "[ . 1 . 2]" 1
490 1 36 VAL MG2 1 82 VAL H . . 4.740 4.372 4.183 4.548 . 0 0 "[ . 1 . 2]" 1
491 1 36 VAL MG2 1 82 VAL HB . . 3.390 2.817 2.648 3.055 . 0 0 "[ . 1 . 2]" 1
492 1 36 VAL MG2 1 82 VAL MG2 . . 3.010 2.915 2.809 3.053 0.043 3 0 "[ . 1 . 2]" 1
493 1 37 LEU H 1 37 LEU HB2 . . 3.260 2.414 2.390 2.434 . 0 0 "[ . 1 . 2]" 1
494 1 37 LEU H 1 37 LEU HB3 . . 3.810 3.616 3.601 3.630 . 0 0 "[ . 1 . 2]" 1
495 1 37 LEU H 1 37 LEU MD1 . . 4.140 4.148 4.108 4.195 0.055 19 0 "[ . 1 . 2]" 1
496 1 37 LEU H 1 37 LEU MD2 . . 3.800 3.288 3.206 3.368 . 0 0 "[ . 1 . 2]" 1
497 1 37 LEU H 1 38 GLN H . . 3.620 2.378 2.108 2.605 . 0 0 "[ . 1 . 2]" 1
498 1 37 LEU H 1 38 GLN HG2 . . 5.290 5.142 5.069 5.284 . 0 0 "[ . 1 . 2]" 1
499 1 37 LEU HA 1 37 LEU MD2 . . 2.890 1.939 1.903 1.972 . 0 0 "[ . 1 . 2]" 1
500 1 37 LEU HA 1 37 LEU HG . . 3.740 3.298 3.270 3.320 . 0 0 "[ . 1 . 2]" 1
501 1 37 LEU HA 1 39 PRO HD2 . . 3.840 2.940 2.894 2.988 . 0 0 "[ . 1 . 2]" 1
502 1 37 LEU HA 1 40 TYR H . . 3.930 3.185 3.090 3.253 . 0 0 "[ . 1 . 2]" 1
503 1 37 LEU HA 1 40 TYR QD . . 2.670 2.000 1.961 2.077 . 0 0 "[ . 1 . 2]" 1
504 1 37 LEU HA 1 82 VAL MG1 . . 3.930 3.848 3.774 3.937 0.007 11 0 "[ . 1 . 2]" 1
505 1 37 LEU HB2 1 37 LEU MD1 . . 3.440 2.552 2.539 2.577 . 0 0 "[ . 1 . 2]" 1
506 1 37 LEU HB2 1 38 GLN H . . 4.350 3.835 3.538 4.050 . 0 0 "[ . 1 . 2]" 1
507 1 37 LEU HB2 1 70 PHE QE . . 4.160 4.281 4.239 4.340 0.180 17 0 "[ . 1 . 2]" 1
508 1 37 LEU HB3 1 37 LEU MD1 . . 2.990 2.200 2.175 2.212 . 0 0 "[ . 1 . 2]" 1
509 1 37 LEU HB3 1 37 LEU MD2 . . 3.180 2.596 2.565 2.627 . 0 0 "[ . 1 . 2]" 1
510 1 37 LEU HB3 1 38 GLN H . . 4.740 4.416 4.286 4.502 . 0 0 "[ . 1 . 2]" 1
511 1 37 LEU HB3 1 38 GLN HA . . 5.020 4.877 4.824 4.925 . 0 0 "[ . 1 . 2]" 1
512 1 37 LEU HB3 1 40 TYR H . . 4.980 4.133 4.011 4.271 . 0 0 "[ . 1 . 2]" 1
513 1 37 LEU HB3 1 44 PHE QE . . 3.700 3.123 2.954 3.271 . 0 0 "[ . 1 . 2]" 1
514 1 37 LEU HB3 1 44 PHE HZ . . 3.500 2.684 2.392 2.869 . 0 0 "[ . 1 . 2]" 1
515 1 37 LEU MD1 1 44 PHE HZ . . 3.460 2.264 2.026 2.454 . 0 0 "[ . 1 . 2]" 1
516 1 37 LEU MD1 1 70 PHE QD . . 3.170 2.343 2.260 2.461 . 0 0 "[ . 1 . 2]" 1
517 1 37 LEU MD1 1 70 PHE QE . . 2.980 1.770 1.757 1.784 . 0 0 "[ . 1 . 2]" 1
518 1 37 LEU MD2 1 38 GLN H . . 4.950 4.363 4.261 4.448 . 0 0 "[ . 1 . 2]" 1
519 1 37 LEU MD2 1 40 TYR H . . 5.240 4.370 4.213 4.450 . 0 0 "[ . 1 . 2]" 1
520 1 37 LEU MD2 1 40 TYR HB3 . . 4.160 3.293 3.113 3.456 . 0 0 "[ . 1 . 2]" 1
521 1 37 LEU MD2 1 40 TYR QD . . 3.280 2.951 2.821 3.047 . 0 0 "[ . 1 . 2]" 1
522 1 37 LEU MD2 1 40 TYR QE . . 3.910 3.968 3.935 4.020 0.110 2 0 "[ . 1 . 2]" 1
523 1 37 LEU MD2 1 44 PHE QE . . 3.710 3.334 3.166 3.507 . 0 0 "[ . 1 . 2]" 1
524 1 37 LEU MD2 1 44 PHE HZ . . 3.130 2.262 2.100 2.437 . 0 0 "[ . 1 . 2]" 1
525 1 37 LEU MD2 1 70 PHE QE . . 3.460 3.477 3.350 3.523 0.063 12 0 "[ . 1 . 2]" 1
526 1 37 LEU MD2 1 82 VAL MG1 . . 2.750 1.779 1.708 1.918 . 0 0 "[ . 1 . 2]" 1
527 1 37 LEU HG 1 70 PHE QE . . 4.630 2.829 2.709 2.898 . 0 0 "[ . 1 . 2]" 1
528 1 37 LEU HG 1 82 VAL MG1 . . 4.480 2.490 2.291 2.817 . 0 0 "[ . 1 . 2]" 1
529 1 38 GLN H 1 38 GLN HB2 . . 3.290 2.056 2.025 2.063 . 0 0 "[ . 1 . 2]" 1
530 1 38 GLN H 1 38 GLN HB3 . . 3.290 3.337 3.251 3.357 0.067 10 0 "[ . 1 . 2]" 1
531 1 38 GLN H 1 38 GLN HG2 . . 3.740 3.626 3.511 3.716 . 0 0 "[ . 1 . 2]" 1
532 1 38 GLN H 1 39 PRO HD2 . . 3.450 2.256 2.078 2.424 . 0 0 "[ . 1 . 2]" 1
533 1 38 GLN H 1 39 PRO HD3 . . 3.400 2.528 2.363 2.690 . 0 0 "[ . 1 . 2]" 1
534 1 38 GLN H 1 39 PRO QG . . 4.340 4.055 3.891 4.210 . 0 0 "[ . 1 . 2]" 1
535 1 38 GLN HA 1 38 GLN HE21 . . 4.880 4.232 2.869 4.395 . 0 0 "[ . 1 . 2]" 1
536 1 38 GLN HA 1 38 GLN HG2 . . 3.810 1.972 1.959 1.980 . 0 0 "[ . 1 . 2]" 1
537 1 38 GLN HA 1 38 GLN HG3 . . 3.290 3.198 3.141 3.303 0.013 11 0 "[ . 1 . 2]" 1
538 1 38 GLN HA 1 40 TYR H . . 4.590 3.648 3.602 3.741 . 0 0 "[ . 1 . 2]" 1
539 1 38 GLN HA 1 41 LYS H . . 4.100 3.673 3.316 4.114 0.014 5 0 "[ . 1 . 2]" 1
540 1 38 GLN HA 1 41 LYS HB3 . . 3.790 3.563 2.408 4.736 0.946 9 9 "[ .** +*- *** *2]" 1
541 1 38 GLN HA 1 41 LYS HG2 . . 4.040 3.355 1.966 4.043 0.003 18 0 "[ . 1 . 2]" 1
542 1 38 GLN HB2 1 39 PRO HD2 . . 3.810 3.153 3.120 3.299 . 0 0 "[ . 1 . 2]" 1
543 1 38 GLN HB2 1 39 PRO HD3 . . 3.180 2.039 1.979 2.255 . 0 0 "[ . 1 . 2]" 1
544 1 38 GLN HB2 1 39 PRO QG . . 4.090 4.001 3.947 4.199 0.109 11 0 "[ . 1 . 2]" 1
545 1 38 GLN HB3 1 39 PRO HD2 . . 3.900 3.756 3.556 3.836 . 0 0 "[ . 1 . 2]" 1
546 1 38 GLN HB3 1 39 PRO HD3 . . 3.270 2.427 2.182 2.526 . 0 0 "[ . 1 . 2]" 1
547 1 38 GLN HB3 1 39 PRO QG . . 4.000 4.068 3.860 4.155 0.155 2 0 "[ . 1 . 2]" 1
548 1 38 GLN HE21 1 38 GLN HG3 . . 3.370 2.895 2.769 3.522 0.152 15 0 "[ . 1 . 2]" 1
549 1 38 GLN HE21 1 39 PRO QG . . 4.900 4.946 4.917 5.025 0.125 11 0 "[ . 1 . 2]" 1
550 1 39 PRO HB2 1 40 TYR H . . 4.110 4.030 3.947 4.065 . 0 0 "[ . 1 . 2]" 1
551 1 39 PRO HB2 1 40 TYR QD . . 3.890 3.956 3.840 4.037 0.147 2 0 "[ . 1 . 2]" 1
552 1 39 PRO HB3 1 40 TYR H . . 4.630 4.612 4.571 4.630 . 0 0 "[ . 1 . 2]" 1
553 1 39 PRO HD2 1 40 TYR H . . 4.020 2.717 2.602 2.772 . 0 0 "[ . 1 . 2]" 1
554 1 39 PRO HD2 1 40 TYR QD . . 3.420 2.141 2.032 2.273 . 0 0 "[ . 1 . 2]" 1
555 1 39 PRO HD2 1 40 TYR QE . . 3.780 3.446 3.141 3.636 . 0 0 "[ . 1 . 2]" 1
556 1 39 PRO HD3 1 40 TYR H . . 4.470 3.832 3.777 3.860 . 0 0 "[ . 1 . 2]" 1
557 1 39 PRO HD3 1 40 TYR QD . . 3.990 3.850 3.757 3.991 0.001 2 0 "[ . 1 . 2]" 1
558 1 39 PRO QG 1 40 TYR H . . 4.240 3.707 3.582 3.763 . 0 0 "[ . 1 . 2]" 1
559 1 39 PRO QG 1 40 TYR QD . . 3.540 2.660 2.560 2.817 . 0 0 "[ . 1 . 2]" 1
560 1 39 PRO QG 1 40 TYR QE . . 3.520 2.228 2.030 2.354 . 0 0 "[ . 1 . 2]" 1
561 1 40 TYR H 1 40 TYR HB2 . . 3.850 2.444 2.370 2.562 . 0 0 "[ . 1 . 2]" 1
562 1 40 TYR H 1 40 TYR HB3 . . 3.520 3.630 3.588 3.691 0.171 2 0 "[ . 1 . 2]" 1
563 1 40 TYR H 1 40 TYR QD . . 3.530 2.626 2.521 2.770 . 0 0 "[ . 1 . 2]" 1
564 1 40 TYR H 1 40 TYR QE . . 4.720 4.735 4.604 4.801 0.081 16 0 "[ . 1 . 2]" 1
565 1 40 TYR H 1 41 LYS H . . 3.180 2.172 1.916 2.500 . 0 0 "[ . 1 . 2]" 1
566 1 40 TYR H 1 41 LYS HA . . 4.910 4.302 4.252 4.369 . 0 0 "[ . 1 . 2]" 1
567 1 40 TYR H 1 41 LYS HG2 . . 5.140 4.202 3.078 4.768 . 0 0 "[ . 1 . 2]" 1
568 1 40 TYR HA 1 40 TYR QD . . 3.830 3.000 2.903 3.055 . 0 0 "[ . 1 . 2]" 1
569 1 40 TYR HA 1 43 ARG HB2 . . 3.800 2.139 1.996 2.511 . 0 0 "[ . 1 . 2]" 1
570 1 40 TYR HB2 1 41 LYS H . . 4.840 3.703 3.460 4.044 . 0 0 "[ . 1 . 2]" 1
571 1 40 TYR HB2 1 43 ARG HB2 . . 4.100 3.963 3.713 4.290 0.190 5 0 "[ . 1 . 2]" 1
572 1 40 TYR HB2 1 44 PHE QE . . 3.560 3.387 3.050 3.560 0.000 19 0 "[ . 1 . 2]" 1
573 1 40 TYR HB2 1 87 LEU MD2 . . 4.380 3.077 2.812 3.258 . 0 0 "[ . 1 . 2]" 1
574 1 40 TYR HB2 1 91 LEU MD1 . . 4.590 4.694 4.313 5.043 0.453 16 0 "[ . 1 . 2]" 1
575 1 40 TYR HB3 1 41 LYS H . . 4.670 4.408 4.306 4.540 . 0 0 "[ . 1 . 2]" 1
576 1 40 TYR HB3 1 44 PHE QE . . 3.580 2.228 1.979 2.439 . 0 0 "[ . 1 . 2]" 1
577 1 40 TYR HB3 1 44 PHE HZ . . 3.740 2.603 2.332 2.873 . 0 0 "[ . 1 . 2]" 1
578 1 40 TYR HB3 1 87 LEU MD2 . . 4.510 2.471 2.237 2.688 . 0 0 "[ . 1 . 2]" 1
579 1 40 TYR QD 1 43 ARG HB3 . . 3.860 3.425 3.157 3.723 . 0 0 "[ . 1 . 2]" 1
580 1 40 TYR QD 1 43 ARG HD2 . . 4.130 3.945 3.053 4.193 0.063 7 0 "[ . 1 . 2]" 1
581 1 40 TYR QD 1 43 ARG HD3 . . 4.170 4.169 3.822 4.252 0.082 5 0 "[ . 1 . 2]" 1
582 1 40 TYR QD 1 84 THR MG . . 4.260 3.818 3.569 4.201 . 0 0 "[ . 1 . 2]" 1
583 1 40 TYR QD 1 87 LEU MD1 . . 3.830 3.737 3.550 3.878 0.048 5 0 "[ . 1 . 2]" 1
584 1 40 TYR QD 1 87 LEU MD2 . . 3.530 2.529 2.251 2.933 . 0 0 "[ . 1 . 2]" 1
585 1 40 TYR QD 1 91 LEU MD1 . . 3.350 2.289 2.122 2.520 . 0 0 "[ . 1 . 2]" 1
586 1 40 TYR QE 1 84 THR HB . . 4.980 3.450 3.156 3.765 . 0 0 "[ . 1 . 2]" 1
587 1 40 TYR QE 1 84 THR MG . . 2.830 2.335 2.028 2.740 . 0 0 "[ . 1 . 2]" 1
588 1 40 TYR QE 1 87 LEU MD2 . . 3.460 3.316 3.094 3.486 0.026 20 0 "[ . 1 . 2]" 1
589 1 40 TYR QE 1 88 GLU H . . 5.270 3.919 3.748 4.326 . 0 0 "[ . 1 . 2]" 1
590 1 40 TYR QE 1 88 GLU HA . . 3.800 3.551 3.296 3.774 . 0 0 "[ . 1 . 2]" 1
591 1 40 TYR QE 1 88 GLU HB3 . . 3.780 3.811 3.790 3.848 0.068 16 0 "[ . 1 . 2]" 1
592 1 40 TYR QE 1 88 GLU HG2 . . 3.650 2.012 1.978 2.130 . 0 0 "[ . 1 . 2]" 1
593 1 40 TYR QE 1 88 GLU HG3 . . 3.170 3.387 3.279 3.522 0.352 15 0 "[ . 1 . 2]" 1
594 1 40 TYR QE 1 91 LEU MD1 . . 3.620 3.123 2.850 3.396 . 0 0 "[ . 1 . 2]" 1
595 1 41 LYS H 1 41 LYS HB3 . . 3.360 2.906 2.256 3.558 0.198 6 0 "[ . 1 . 2]" 1
596 1 41 LYS H 1 41 LYS HG2 . . 3.700 2.835 2.216 3.542 . 0 0 "[ . 1 . 2]" 1
597 1 41 LYS H 1 41 LYS HG3 . . 3.850 2.927 2.098 3.641 . 0 0 "[ . 1 . 2]" 1
598 1 41 LYS H 1 42 ASP H . . 3.940 2.581 2.263 2.696 . 0 0 "[ . 1 . 2]" 1
599 1 41 LYS H 1 43 ARG H . . 5.160 3.570 3.349 3.766 . 0 0 "[ . 1 . 2]" 1
600 1 41 LYS HA 1 41 LYS HB2 . . 2.960 2.664 2.323 3.031 0.071 11 0 "[ . 1 . 2]" 1
601 1 41 LYS HA 1 41 LYS HG3 . . 3.730 3.434 2.944 3.699 . 0 0 "[ . 1 . 2]" 1
602 1 41 LYS HA 1 42 ASP H . . 3.580 3.572 3.430 3.631 0.051 9 0 "[ . 1 . 2]" 1
603 1 41 LYS HA 1 43 ARG H . . 4.070 3.997 3.762 4.103 0.033 12 0 "[ . 1 . 2]" 1
604 1 41 LYS HA 1 44 PHE H . . 4.710 4.011 3.764 4.304 . 0 0 "[ . 1 . 2]" 1
605 1 41 LYS HA 1 44 PHE QE . . 3.540 3.563 3.525 3.605 0.065 2 0 "[ . 1 . 2]" 1
606 1 41 LYS HB2 1 41 LYS HG3 . . 3.050 2.588 2.382 2.987 . 0 0 "[ . 1 . 2]" 1
607 1 41 LYS HB2 1 42 ASP H . . 4.450 3.497 2.547 4.392 . 0 0 "[ . 1 . 2]" 1
608 1 41 LYS HB3 1 42 ASP H . . 4.670 3.825 3.418 4.232 . 0 0 "[ . 1 . 2]" 1
609 1 41 LYS HG2 1 42 ASP H . . 4.340 3.901 2.568 5.033 0.693 15 6 "[ .* -* + * *2]" 1
610 1 42 ASP H 1 42 ASP HB2 . . 3.770 2.514 2.030 3.665 . 0 0 "[ . 1 . 2]" 1
611 1 42 ASP H 1 42 ASP HB3 . . 3.770 2.991 2.303 3.526 . 0 0 "[ . 1 . 2]" 1
612 1 42 ASP H 1 43 ARG H . . 3.400 2.244 1.902 2.500 . 0 0 "[ . 1 . 2]" 1
613 1 42 ASP H 1 43 ARG HG2 . . 5.200 4.180 3.644 4.778 . 0 0 "[ . 1 . 2]" 1
614 1 42 ASP H 1 44 PHE H . . 4.780 4.115 3.722 4.609 . 0 0 "[ . 1 . 2]" 1
615 1 42 ASP HA 1 44 PHE H . . 4.670 3.692 3.290 4.393 . 0 0 "[ . 1 . 2]" 1
616 1 42 ASP HB2 1 43 ARG H . . 4.380 3.790 3.251 4.324 . 0 0 "[ . 1 . 2]" 1
617 1 42 ASP HB3 1 43 ARG H . . 4.770 3.637 3.145 4.386 . 0 0 "[ . 1 . 2]" 1
618 1 43 ARG H 1 43 ARG HB2 . . 3.440 2.237 2.177 2.343 . 0 0 "[ . 1 . 2]" 1
619 1 43 ARG H 1 43 ARG HB3 . . 3.900 3.496 3.467 3.541 . 0 0 "[ . 1 . 2]" 1
620 1 43 ARG H 1 43 ARG HG2 . . 3.460 2.740 2.365 3.227 . 0 0 "[ . 1 . 2]" 1
621 1 43 ARG H 1 43 ARG HG3 . . 3.830 3.541 2.829 3.773 . 0 0 "[ . 1 . 2]" 1
622 1 43 ARG H 1 44 PHE H . . 3.180 2.582 2.484 2.698 . 0 0 "[ . 1 . 2]" 1
623 1 43 ARG H 1 44 PHE QD . . 5.130 4.686 4.479 4.908 . 0 0 "[ . 1 . 2]" 1
624 1 43 ARG HA 1 43 ARG HD2 . . 3.730 3.784 3.742 3.916 0.186 9 0 "[ . 1 . 2]" 1
625 1 43 ARG HA 1 43 ARG HD3 . . 3.720 3.043 2.637 3.736 0.016 5 0 "[ . 1 . 2]" 1
626 1 43 ARG HA 1 43 ARG HG2 . . 3.460 2.541 2.111 2.801 . 0 0 "[ . 1 . 2]" 1
627 1 43 ARG HB2 1 44 PHE H . . 4.290 3.138 2.649 3.472 . 0 0 "[ . 1 . 2]" 1
628 1 43 ARG HB2 1 44 PHE QD . . 3.630 3.354 2.979 3.642 0.012 17 0 "[ . 1 . 2]" 1
629 1 43 ARG HB2 1 91 LEU MD1 . . 4.070 3.244 2.599 3.569 . 0 0 "[ . 1 . 2]" 1
630 1 43 ARG HB3 1 43 ARG HD2 . . 3.890 3.189 1.974 3.543 . 0 0 "[ . 1 . 2]" 1
631 1 43 ARG HB3 1 43 ARG HD3 . . 4.000 2.439 2.237 3.170 . 0 0 "[ . 1 . 2]" 1
632 1 43 ARG HB3 1 44 PHE H . . 4.490 3.797 3.216 4.133 . 0 0 "[ . 1 . 2]" 1
633 1 43 ARG HB3 1 44 PHE QD . . 3.880 2.831 2.537 2.996 . 0 0 "[ . 1 . 2]" 1
634 1 43 ARG HB3 1 91 LEU MD1 . . 3.750 2.379 1.976 2.889 . 0 0 "[ . 1 . 2]" 1
635 1 43 ARG HB3 1 91 LEU MD2 . . 3.780 2.350 1.978 3.226 . 0 0 "[ . 1 . 2]" 1
636 1 43 ARG HD2 1 91 LEU MD1 . . 3.950 3.169 1.871 3.818 . 0 0 "[ . 1 . 2]" 1
637 1 43 ARG HD3 1 91 LEU MD1 . . 4.000 2.865 2.307 3.687 . 0 0 "[ . 1 . 2]" 1
638 1 43 ARG HG3 1 44 PHE QD . . 4.950 4.973 4.877 5.083 0.133 2 0 "[ . 1 . 2]" 1
639 1 44 PHE H 1 45 ILE H . . 4.940 4.365 4.346 4.386 . 0 0 "[ . 1 . 2]" 1
640 1 44 PHE HA 1 45 ILE H . . 3.460 2.659 2.590 2.751 . 0 0 "[ . 1 . 2]" 1
641 1 44 PHE HA 1 45 ILE MD . . 4.740 4.423 4.217 4.650 . 0 0 "[ . 1 . 2]" 1
642 1 44 PHE QB 1 45 ILE H . . 3.310 2.119 1.950 2.249 . 0 0 "[ . 1 . 2]" 1
643 1 44 PHE QB 1 45 ILE HB . . 4.690 4.215 4.125 4.303 . 0 0 "[ . 1 . 2]" 1
644 1 44 PHE QB 1 72 LEU QD . . 3.990 3.380 3.142 3.559 . 0 0 "[ . 1 . 2]" 1
645 1 44 PHE QB 1 91 LEU MD1 . . 4.470 4.243 3.795 4.458 . 0 0 "[ . 1 . 2]" 1
646 1 44 PHE QB 1 91 LEU MD2 . . 3.550 2.667 2.551 2.972 . 0 0 "[ . 1 . 2]" 1
647 1 44 PHE QD 1 45 ILE H . . 3.580 3.237 3.074 3.356 . 0 0 "[ . 1 . 2]" 1
648 1 44 PHE QD 1 45 ILE HA . . 3.850 3.563 3.490 3.665 . 0 0 "[ . 1 . 2]" 1
649 1 44 PHE QD 1 46 LEU H . . 4.700 2.908 2.854 2.960 . 0 0 "[ . 1 . 2]" 1
650 1 44 PHE QD 1 46 LEU HA . . 3.690 3.165 3.052 3.300 . 0 0 "[ . 1 . 2]" 1
651 1 44 PHE QD 1 46 LEU HB2 . . 3.350 2.970 2.905 3.084 . 0 0 "[ . 1 . 2]" 1
652 1 44 PHE QD 1 46 LEU HB3 . . 4.790 4.297 4.247 4.395 . 0 0 "[ . 1 . 2]" 1
653 1 44 PHE QD 1 46 LEU MD1 . . 3.720 3.634 3.522 3.730 0.010 3 0 "[ . 1 . 2]" 1
654 1 44 PHE QD 1 46 LEU MD2 . . 5.100 4.789 4.687 4.873 . 0 0 "[ . 1 . 2]" 1
655 1 44 PHE QD 1 72 LEU QD . . 4.380 3.645 3.431 3.906 . 0 0 "[ . 1 . 2]" 1
656 1 44 PHE QD 1 87 LEU MD1 . . 3.350 2.814 2.595 2.983 . 0 0 "[ . 1 . 2]" 1
657 1 44 PHE QD 1 91 LEU MD1 . . 2.890 2.586 2.183 2.835 . 0 0 "[ . 1 . 2]" 1
658 1 44 PHE QD 1 91 LEU MD2 . . 3.350 1.842 1.769 1.957 . 0 0 "[ . 1 . 2]" 1
659 1 44 PHE QE 1 46 LEU H . . 5.140 3.949 3.848 4.033 . 0 0 "[ . 1 . 2]" 1
660 1 44 PHE QE 1 46 LEU HB2 . . 3.430 2.073 2.029 2.097 . 0 0 "[ . 1 . 2]" 1
661 1 44 PHE QE 1 46 LEU HB3 . . 3.780 3.808 3.768 3.833 0.053 20 0 "[ . 1 . 2]" 1
662 1 44 PHE QE 1 46 LEU MD1 . . 3.250 2.254 2.108 2.473 . 0 0 "[ . 1 . 2]" 1
663 1 44 PHE QE 1 46 LEU HG . . 4.550 4.515 4.387 4.585 0.035 3 0 "[ . 1 . 2]" 1
664 1 44 PHE QE 1 87 LEU MD1 . . 3.740 1.987 1.900 2.140 . 0 0 "[ . 1 . 2]" 1
665 1 44 PHE QE 1 87 LEU MD2 . . 3.480 1.946 1.831 2.000 . 0 0 "[ . 1 . 2]" 1
666 1 44 PHE HZ 1 87 LEU MD1 . . 3.970 3.583 3.443 3.796 . 0 0 "[ . 1 . 2]" 1
667 1 45 ILE H 1 45 ILE HB . . 3.370 2.347 2.292 2.408 . 0 0 "[ . 1 . 2]" 1
668 1 45 ILE H 1 45 ILE MD . . 3.780 3.345 3.169 3.544 . 0 0 "[ . 1 . 2]" 1
669 1 45 ILE H 1 45 ILE HG13 . . 3.960 2.726 2.567 2.853 . 0 0 "[ . 1 . 2]" 1
670 1 45 ILE H 1 45 ILE MG . . 3.890 3.705 3.670 3.739 . 0 0 "[ . 1 . 2]" 1
671 1 45 ILE HA 1 45 ILE HG12 . . 3.600 2.758 2.634 2.862 . 0 0 "[ . 1 . 2]" 1
672 1 45 ILE HA 1 45 ILE HG13 . . 3.760 2.605 2.488 2.721 . 0 0 "[ . 1 . 2]" 1
673 1 45 ILE HA 1 45 ILE MG . . 2.960 2.460 2.404 2.515 . 0 0 "[ . 1 . 2]" 1
674 1 45 ILE HA 1 46 LEU H . . 2.940 2.220 2.210 2.230 . 0 0 "[ . 1 . 2]" 1
675 1 45 ILE HA 1 46 LEU HB2 . . 4.800 4.601 4.556 4.639 . 0 0 "[ . 1 . 2]" 1
676 1 45 ILE HA 1 46 LEU HB3 . . 4.620 4.607 4.572 4.665 0.045 19 0 "[ . 1 . 2]" 1
677 1 45 ILE HB 1 46 LEU H . . 4.850 4.575 4.546 4.600 . 0 0 "[ . 1 . 2]" 1
678 1 45 ILE HG12 1 45 ILE MG . . 2.820 2.146 2.080 2.219 . 0 0 "[ . 1 . 2]" 1
679 1 45 ILE HG12 1 46 LEU H . . 5.020 4.856 4.707 4.971 . 0 0 "[ . 1 . 2]" 1
680 1 45 ILE MG 1 46 LEU H . . 3.140 3.196 3.148 3.249 0.109 15 0 "[ . 1 . 2]" 1
681 1 45 ILE MG 1 46 LEU HA . . 4.490 4.183 4.130 4.250 . 0 0 "[ . 1 . 2]" 1
682 1 45 ILE MG 1 47 GLN H . . 4.090 4.075 3.961 4.121 0.031 3 0 "[ . 1 . 2]" 1
683 1 45 ILE MG 1 47 GLN HB2 . . 4.290 3.550 3.320 3.772 . 0 0 "[ . 1 . 2]" 1
684 1 45 ILE MG 1 47 GLN QE . . 4.550 3.936 3.344 4.363 . 0 0 "[ . 1 . 2]" 1
685 1 45 ILE MG 1 47 GLN QG . . 3.750 3.618 3.497 3.693 . 0 0 "[ . 1 . 2]" 1
686 1 46 LEU H 1 46 LEU HB2 . . 3.530 2.514 2.483 2.543 . 0 0 "[ . 1 . 2]" 1
687 1 46 LEU H 1 46 LEU HB3 . . 3.350 2.427 2.395 2.476 . 0 0 "[ . 1 . 2]" 1
688 1 46 LEU H 1 46 LEU MD1 . . 4.020 4.055 4.012 4.083 0.063 3 0 "[ . 1 . 2]" 1
689 1 46 LEU H 1 46 LEU MD2 . . 4.260 4.165 4.154 4.190 . 0 0 "[ . 1 . 2]" 1
690 1 46 LEU H 1 47 GLN H . . 4.460 4.397 4.356 4.447 . 0 0 "[ . 1 . 2]" 1
691 1 46 LEU HA 1 46 LEU MD1 . . 2.930 2.189 2.085 2.259 . 0 0 "[ . 1 . 2]" 1
692 1 46 LEU HA 1 46 LEU MD2 . . 4.150 3.882 3.866 3.896 . 0 0 "[ . 1 . 2]" 1
693 1 46 LEU HA 1 46 LEU HG . . 4.050 3.102 3.025 3.147 . 0 0 "[ . 1 . 2]" 1
694 1 46 LEU HA 1 47 GLN H . . 2.990 2.188 2.179 2.198 . 0 0 "[ . 1 . 2]" 1
695 1 46 LEU HA 1 47 GLN HB2 . . 4.420 4.325 4.244 4.387 . 0 0 "[ . 1 . 2]" 1
696 1 46 LEU HA 1 47 GLN HB3 . . 5.080 5.012 4.957 5.098 0.018 3 0 "[ . 1 . 2]" 1
697 1 46 LEU HB2 1 46 LEU MD1 . . 3.010 2.303 2.255 2.344 . 0 0 "[ . 1 . 2]" 1
698 1 46 LEU HB2 1 46 LEU MD2 . . 3.190 2.400 2.355 2.479 . 0 0 "[ . 1 . 2]" 1
699 1 46 LEU HB3 1 46 LEU MD1 . . 3.250 3.210 3.207 3.214 . 0 0 "[ . 1 . 2]" 1
700 1 46 LEU HB3 1 46 LEU MD2 . . 2.930 2.250 2.176 2.316 . 0 0 "[ . 1 . 2]" 1
701 1 46 LEU MD1 1 47 GLN H . . 3.250 2.982 2.853 3.177 . 0 0 "[ . 1 . 2]" 1
702 1 46 LEU MD2 1 48 GLU H . . 5.050 5.036 4.920 5.083 0.033 15 0 "[ . 1 . 2]" 1
703 1 46 LEU HG 1 47 GLN H . . 4.100 3.711 3.597 3.808 . 0 0 "[ . 1 . 2]" 1
704 1 46 LEU HG 1 48 GLU H . . 4.800 3.992 3.922 4.099 . 0 0 "[ . 1 . 2]" 1
705 1 47 GLN H 1 47 GLN HB2 . . 3.680 2.396 2.319 2.448 . 0 0 "[ . 1 . 2]" 1
706 1 47 GLN H 1 47 GLN HB3 . . 3.670 2.825 2.762 2.918 . 0 0 "[ . 1 . 2]" 1
707 1 47 GLN H 1 47 GLN QG . . 4.660 3.960 3.940 4.006 . 0 0 "[ . 1 . 2]" 1
708 1 47 GLN H 1 48 GLU H . . 4.620 4.225 4.197 4.279 . 0 0 "[ . 1 . 2]" 1
709 1 47 GLN HA 1 48 GLU H . . 2.900 2.240 2.224 2.249 . 0 0 "[ . 1 . 2]" 1
710 1 47 GLN HB2 1 49 VAL QG . . 4.920 4.438 4.291 4.563 . 0 0 "[ . 1 . 2]" 1
711 1 47 GLN HB3 1 48 GLU H . . 4.520 4.322 4.233 4.368 . 0 0 "[ . 1 . 2]" 1
712 1 47 GLN HB3 1 49 VAL QG . . 4.470 3.079 2.916 3.241 . 0 0 "[ . 1 . 2]" 1
713 1 47 GLN QE 1 49 VAL QG . . 5.110 4.231 4.042 4.335 . 0 0 "[ . 1 . 2]" 1
714 1 47 GLN QG 1 48 GLU H . . 4.610 3.692 3.379 4.301 . 0 0 "[ . 1 . 2]" 1
715 1 47 GLN QG 1 49 VAL QG . . 3.610 2.969 2.862 3.093 . 0 0 "[ . 1 . 2]" 1
716 1 48 GLU H 1 48 GLU HB2 . . 3.490 2.105 2.093 2.120 . 0 0 "[ . 1 . 2]" 1
717 1 48 GLU H 1 48 GLU HB3 . . 3.360 3.359 3.329 3.377 0.017 1 0 "[ . 1 . 2]" 1
718 1 48 GLU H 1 48 GLU HG3 . . 4.540 3.447 3.377 3.537 . 0 0 "[ . 1 . 2]" 1
719 1 48 GLU H 1 49 VAL H . . 4.390 4.332 4.263 4.391 0.001 1 0 "[ . 1 . 2]" 1
720 1 48 GLU H 1 49 VAL QG . . 4.990 4.369 4.164 4.489 . 0 0 "[ . 1 . 2]" 1
721 1 48 GLU HA 1 48 GLU HG3 . . 4.170 2.137 2.081 2.208 . 0 0 "[ . 1 . 2]" 1
722 1 48 GLU HA 1 49 VAL H . . 3.240 2.225 2.209 2.243 . 0 0 "[ . 1 . 2]" 1
723 1 48 GLU HA 1 49 VAL QG . . 4.130 3.824 3.756 3.858 . 0 0 "[ . 1 . 2]" 1
724 1 48 GLU HB2 1 49 VAL H . . 4.630 4.678 4.650 4.703 0.073 15 0 "[ . 1 . 2]" 1
725 1 48 GLU HB3 1 48 GLU HG2 . . 3.050 2.315 2.293 2.343 . 0 0 "[ . 1 . 2]" 1
726 1 48 GLU HB3 1 49 VAL H . . 3.980 3.962 3.872 4.045 0.065 8 0 "[ . 1 . 2]" 1
727 1 48 GLU HB3 1 49 VAL HA . . 4.730 4.617 4.532 4.688 . 0 0 "[ . 1 . 2]" 1
728 1 48 GLU HG2 1 49 VAL H . . 4.420 4.460 4.419 4.499 0.079 17 0 "[ . 1 . 2]" 1
729 1 48 GLU HG3 1 49 VAL H . . 4.470 4.261 4.158 4.375 . 0 0 "[ . 1 . 2]" 1
730 1 49 VAL H 1 49 VAL HB . . 3.580 2.368 2.337 2.417 . 0 0 "[ . 1 . 2]" 1
731 1 49 VAL H 1 49 VAL QG . . 3.540 2.540 2.410 2.621 . 0 0 "[ . 1 . 2]" 1
732 1 49 VAL H 1 50 ASP H . . 4.870 4.530 4.440 4.590 . 0 0 "[ . 1 . 2]" 1
733 1 49 VAL HA 1 49 VAL QG . . 3.120 2.068 2.048 2.130 . 0 0 "[ . 1 . 2]" 1
734 1 49 VAL HA 1 50 ASP H . . 2.880 2.230 2.187 2.313 . 0 0 "[ . 1 . 2]" 1
735 1 49 VAL HA 1 50 ASP HB2 . . 4.570 4.295 4.111 4.607 0.037 5 0 "[ . 1 . 2]" 1
736 1 49 VAL HA 1 56 ASN QD . . 5.300 4.465 4.323 4.687 . 0 0 "[ . 1 . 2]" 1
737 1 49 VAL HB 1 50 ASP H . . 4.890 4.214 4.004 4.366 . 0 0 "[ . 1 . 2]" 1
738 1 49 VAL HB 1 51 ILE H . . 5.500 5.090 5.015 5.149 . 0 0 "[ . 1 . 2]" 1
739 1 49 VAL QG 1 50 ASP H . . 3.710 2.341 1.955 2.634 . 0 0 "[ . 1 . 2]" 1
740 1 49 VAL QG 1 51 ILE H . . 4.870 3.845 3.724 3.934 . 0 0 "[ . 1 . 2]" 1
741 1 49 VAL QG 1 51 ILE HA . . 4.070 3.577 3.537 3.637 . 0 0 "[ . 1 . 2]" 1
742 1 49 VAL QG 1 51 ILE MG . . 3.360 2.401 2.330 2.490 . 0 0 "[ . 1 . 2]" 1
743 1 49 VAL QG 1 56 ASN HB2 . . 4.210 4.046 3.610 4.186 . 0 0 "[ . 1 . 2]" 1
744 1 49 VAL QG 1 56 ASN HB3 . . 4.020 3.162 2.875 3.371 . 0 0 "[ . 1 . 2]" 1
745 1 49 VAL QG 1 56 ASN QD . . 3.420 2.978 2.709 3.087 . 0 0 "[ . 1 . 2]" 1
746 1 49 VAL QG 1 59 TRP QB . . 3.520 3.028 2.818 3.244 . 0 0 "[ . 1 . 2]" 1
747 1 49 VAL QG 1 59 TRP HD1 . . 3.220 3.127 2.911 3.211 . 0 0 "[ . 1 . 2]" 1
748 1 49 VAL QG 1 59 TRP HE1 . . 4.340 3.558 3.335 3.722 . 0 0 "[ . 1 . 2]" 1
749 1 50 ASP H 1 50 ASP HB2 . . 3.490 2.208 2.106 2.428 . 0 0 "[ . 1 . 2]" 1
750 1 50 ASP H 1 50 ASP HB3 . . 3.470 3.443 3.260 3.574 0.104 5 0 "[ . 1 . 2]" 1
751 1 50 ASP H 1 51 ILE H . . 5.110 4.251 4.169 4.308 . 0 0 "[ . 1 . 2]" 1
752 1 50 ASP H 1 53 LEU HB2 . . 5.350 4.967 4.753 5.333 . 0 0 "[ . 1 . 2]" 1
753 1 50 ASP H 1 53 LEU QD . . 4.030 3.567 3.234 3.996 . 0 0 "[ . 1 . 2]" 1
754 1 50 ASP H 1 56 ASN QD . . 4.880 2.993 2.782 3.385 . 0 0 "[ . 1 . 2]" 1
755 1 50 ASP HA 1 51 ILE H . . 3.350 2.278 2.276 2.280 . 0 0 "[ . 1 . 2]" 1
756 1 50 ASP HA 1 52 THR H . . 4.780 3.296 3.200 3.438 . 0 0 "[ . 1 . 2]" 1
757 1 50 ASP HB2 1 51 ILE H . . 4.740 4.602 4.451 4.681 . 0 0 "[ . 1 . 2]" 1
758 1 50 ASP HB2 1 52 THR H . . 4.870 4.668 3.965 4.896 0.026 20 0 "[ . 1 . 2]" 1
759 1 50 ASP HB2 1 53 LEU H . . 5.480 4.353 4.102 4.694 . 0 0 "[ . 1 . 2]" 1
760 1 50 ASP HB2 1 53 LEU QD . . 3.750 2.078 1.939 2.219 . 0 0 "[ . 1 . 2]" 1
761 1 50 ASP HB2 1 53 LEU HG . . 3.850 3.163 2.759 3.564 . 0 0 "[ . 1 . 2]" 1
762 1 50 ASP HB3 1 51 ILE H . . 5.500 3.893 3.852 3.989 . 0 0 "[ . 1 . 2]" 1
763 1 50 ASP HB3 1 52 THR H . . 5.120 3.228 2.731 3.459 . 0 0 "[ . 1 . 2]" 1
764 1 50 ASP HB3 1 53 LEU H . . 4.310 3.139 2.921 4.123 . 0 0 "[ . 1 . 2]" 1
765 1 50 ASP HB3 1 53 LEU HB2 . . 4.340 3.424 2.986 4.358 0.018 5 0 "[ . 1 . 2]" 1
766 1 50 ASP HB3 1 53 LEU QD . . 3.380 2.420 1.719 2.787 . 0 0 "[ . 1 . 2]" 1
767 1 50 ASP HB3 1 53 LEU HG . . 3.610 2.348 2.018 3.731 0.121 4 0 "[ . 1 . 2]" 1
768 1 51 ILE H 1 51 ILE MD . . 4.010 3.744 3.704 3.779 . 0 0 "[ . 1 . 2]" 1
769 1 51 ILE H 1 51 ILE HG12 . . 3.590 2.121 2.051 2.209 . 0 0 "[ . 1 . 2]" 1
770 1 51 ILE H 1 51 ILE HG13 . . 3.890 2.703 2.545 2.898 . 0 0 "[ . 1 . 2]" 1
771 1 51 ILE H 1 51 ILE MG . . 3.300 2.496 2.418 2.581 . 0 0 "[ . 1 . 2]" 1
772 1 51 ILE H 1 53 LEU H . . 5.500 4.121 4.024 4.533 . 0 0 "[ . 1 . 2]" 1
773 1 51 ILE H 1 59 TRP QB . . 5.490 4.728 4.508 4.915 . 0 0 "[ . 1 . 2]" 1
774 1 51 ILE H 1 60 TYR QD . . 5.500 4.473 4.303 4.731 . 0 0 "[ . 1 . 2]" 1
775 1 51 ILE HA 1 51 ILE MD . . 4.320 4.082 4.054 4.094 . 0 0 "[ . 1 . 2]" 1
776 1 51 ILE HA 1 51 ILE MG . . 3.110 2.214 2.176 2.273 . 0 0 "[ . 1 . 2]" 1
777 1 51 ILE HA 1 53 LEU H . . 4.550 3.253 3.082 3.380 . 0 0 "[ . 1 . 2]" 1
778 1 51 ILE HA 1 56 ASN HA . . 4.880 4.648 4.479 4.916 0.036 5 0 "[ . 1 . 2]" 1
779 1 51 ILE HA 1 56 ASN HB2 . . 3.600 2.482 2.116 2.642 . 0 0 "[ . 1 . 2]" 1
780 1 51 ILE HA 1 56 ASN HB3 . . 3.700 2.382 2.157 2.988 . 0 0 "[ . 1 . 2]" 1
781 1 51 ILE HA 1 56 ASN QD . . 4.550 3.493 3.126 3.692 . 0 0 "[ . 1 . 2]" 1
782 1 51 ILE HA 1 60 TYR HB2 . . 4.680 3.461 3.375 3.601 . 0 0 "[ . 1 . 2]" 1
783 1 51 ILE HA 1 60 TYR QD . . 4.690 4.208 3.936 4.439 . 0 0 "[ . 1 . 2]" 1
784 1 51 ILE HB 1 51 ILE MD . . 3.160 2.093 2.021 2.172 . 0 0 "[ . 1 . 2]" 1
785 1 51 ILE HB 1 52 THR H . . 5.470 4.224 4.093 4.411 . 0 0 "[ . 1 . 2]" 1
786 1 51 ILE HB 1 53 LEU H . . 5.450 4.939 4.717 5.078 . 0 0 "[ . 1 . 2]" 1
787 1 51 ILE HB 1 59 TRP QB . . 4.110 3.178 3.083 3.273 . 0 0 "[ . 1 . 2]" 1
788 1 51 ILE HB 1 60 TYR H . . 4.530 3.027 2.808 3.251 . 0 0 "[ . 1 . 2]" 1
789 1 51 ILE HB 1 60 TYR HA . . 3.440 2.634 2.530 2.731 . 0 0 "[ . 1 . 2]" 1
790 1 51 ILE HB 1 60 TYR HB2 . . 3.950 1.996 1.976 2.026 . 0 0 "[ . 1 . 2]" 1
791 1 51 ILE HB 1 60 TYR QD . . 3.320 2.520 2.290 2.819 . 0 0 "[ . 1 . 2]" 1
792 1 51 ILE MD 1 51 ILE MG . . 2.790 2.363 2.266 2.453 . 0 0 "[ . 1 . 2]" 1
793 1 51 ILE MD 1 52 THR H . . 4.750 4.351 4.124 4.655 . 0 0 "[ . 1 . 2]" 1
794 1 51 ILE MD 1 52 THR HA . . 4.800 4.566 4.444 4.669 . 0 0 "[ . 1 . 2]" 1
795 1 51 ILE MD 1 52 THR MG . . 3.490 3.520 3.388 3.582 0.092 4 0 "[ . 1 . 2]" 1
796 1 51 ILE MD 1 59 TRP QB . . 3.900 3.951 3.915 3.998 0.098 17 0 "[ . 1 . 2]" 1
797 1 51 ILE MD 1 60 TYR H . . 4.930 4.024 3.932 4.188 . 0 0 "[ . 1 . 2]" 1
798 1 51 ILE MD 1 60 TYR HA . . 3.020 1.978 1.941 2.021 . 0 0 "[ . 1 . 2]" 1
799 1 51 ILE MD 1 60 TYR HB2 . . 4.080 2.978 2.792 3.141 . 0 0 "[ . 1 . 2]" 1
800 1 51 ILE MD 1 60 TYR HB3 . . 4.920 4.037 3.898 4.144 . 0 0 "[ . 1 . 2]" 1
801 1 51 ILE MD 1 60 TYR QD . . 2.770 1.976 1.911 2.167 . 0 0 "[ . 1 . 2]" 1
802 1 51 ILE MD 1 60 TYR QE . . 2.820 2.789 2.604 2.881 0.061 9 0 "[ . 1 . 2]" 1
803 1 51 ILE MD 1 63 TYR H . . 4.360 4.154 4.009 4.262 . 0 0 "[ . 1 . 2]" 1
804 1 51 ILE MD 1 63 TYR HB2 . . 3.890 3.548 3.346 3.720 . 0 0 "[ . 1 . 2]" 1
805 1 51 ILE MD 1 63 TYR HB3 . . 3.950 3.905 3.735 4.025 0.075 17 0 "[ . 1 . 2]" 1
806 1 51 ILE MD 1 64 LYS HA . . 2.940 2.917 2.764 2.985 0.045 20 0 "[ . 1 . 2]" 1
807 1 51 ILE HG12 1 51 ILE MG . . 3.330 2.189 2.118 2.213 . 0 0 "[ . 1 . 2]" 1
808 1 51 ILE HG12 1 60 TYR QD . . 3.460 3.475 3.427 3.560 0.100 11 0 "[ . 1 . 2]" 1
809 1 51 ILE HG13 1 52 THR H . . 4.740 2.719 2.461 3.111 . 0 0 "[ . 1 . 2]" 1
810 1 51 ILE HG13 1 52 THR HA . . 4.800 3.500 3.279 3.728 . 0 0 "[ . 1 . 2]" 1
811 1 51 ILE HG13 1 60 TYR QD . . 3.110 2.004 1.966 2.115 . 0 0 "[ . 1 . 2]" 1
812 1 51 ILE HG13 1 60 TYR QE . . 3.690 3.467 3.271 3.679 . 0 0 "[ . 1 . 2]" 1
813 1 51 ILE MG 1 56 ASN HB2 . . 4.820 4.046 3.397 4.271 . 0 0 "[ . 1 . 2]" 1
814 1 51 ILE MG 1 59 TRP H . . 5.050 4.152 3.891 4.430 . 0 0 "[ . 1 . 2]" 1
815 1 51 ILE MG 1 59 TRP QB . . 3.170 1.800 1.710 1.883 . 0 0 "[ . 1 . 2]" 1
816 1 51 ILE MG 1 60 TYR H . . 4.680 3.566 3.380 3.785 . 0 0 "[ . 1 . 2]" 1
817 1 51 ILE MG 1 60 TYR HA . . 3.940 3.175 3.049 3.284 . 0 0 "[ . 1 . 2]" 1
818 1 51 ILE MG 1 60 TYR HB2 . . 4.660 3.622 3.569 3.666 . 0 0 "[ . 1 . 2]" 1
819 1 51 ILE MG 1 60 TYR HB3 . . 4.780 4.832 4.798 4.883 0.103 9 0 "[ . 1 . 2]" 1
820 1 51 ILE MG 1 60 TYR QD . . 4.220 3.897 3.775 4.077 . 0 0 "[ . 1 . 2]" 1
821 1 51 ILE MG 1 63 TYR HB2 . . 4.000 3.501 3.341 3.647 . 0 0 "[ . 1 . 2]" 1
822 1 51 ILE MG 1 63 TYR HB3 . . 4.770 4.480 4.244 4.645 . 0 0 "[ . 1 . 2]" 1
823 1 52 THR H 1 52 THR MG . . 3.140 2.257 1.937 2.783 . 0 0 "[ . 1 . 2]" 1
824 1 52 THR H 1 53 LEU H . . 3.420 2.638 2.551 2.782 . 0 0 "[ . 1 . 2]" 1
825 1 52 THR HA 1 52 THR MG . . 2.960 2.410 2.257 2.576 . 0 0 "[ . 1 . 2]" 1
826 1 52 THR HA 1 60 TYR QD . . 3.520 3.316 3.027 3.459 . 0 0 "[ . 1 . 2]" 1
827 1 52 THR HA 1 60 TYR QE . . 3.980 3.864 3.668 4.009 0.029 17 0 "[ . 1 . 2]" 1
828 1 52 THR HB 1 53 LEU H . . 4.940 4.318 4.057 4.515 . 0 0 "[ . 1 . 2]" 1
829 1 52 THR MG 1 53 LEU H . . 4.410 4.138 3.904 4.398 . 0 0 "[ . 1 . 2]" 1
830 1 52 THR MG 1 60 TYR QD . . 3.360 3.273 3.063 3.397 0.037 5 0 "[ . 1 . 2]" 1
831 1 52 THR MG 1 60 TYR QE . . 3.160 3.106 2.780 3.192 0.032 20 0 "[ . 1 . 2]" 1
832 1 53 LEU H 1 53 LEU HB2 . . 3.090 2.257 2.185 2.496 . 0 0 "[ . 1 . 2]" 1
833 1 53 LEU H 1 53 LEU QD . . 4.010 3.239 2.136 3.447 . 0 0 "[ . 1 . 2]" 1
834 1 53 LEU H 1 54 PRO HD2 . . 5.130 4.935 4.917 4.977 . 0 0 "[ . 1 . 2]" 1
835 1 53 LEU H 1 54 PRO HD3 . . 5.330 4.795 4.761 4.809 . 0 0 "[ . 1 . 2]" 1
836 1 53 LEU H 1 56 ASN H . . 4.820 4.185 3.888 4.381 . 0 0 "[ . 1 . 2]" 1
837 1 53 LEU H 1 56 ASN HB2 . . 4.000 2.936 2.714 3.280 . 0 0 "[ . 1 . 2]" 1
838 1 53 LEU H 1 56 ASN QD . . 4.520 3.260 2.948 3.332 . 0 0 "[ . 1 . 2]" 1
839 1 53 LEU HA 1 53 LEU QD . . 2.850 2.043 1.951 2.123 . 0 0 "[ . 1 . 2]" 1
840 1 53 LEU HA 1 54 PRO HD2 . . 3.740 2.799 2.702 2.833 . 0 0 "[ . 1 . 2]" 1
841 1 53 LEU HA 1 54 PRO HG3 . . 4.320 4.299 4.252 4.317 . 0 0 "[ . 1 . 2]" 1
842 1 53 LEU HA 1 55 GLU H . . 5.160 4.349 4.153 4.530 . 0 0 "[ . 1 . 2]" 1
843 1 53 LEU HA 1 55 GLU HG2 . . 4.910 4.793 4.528 4.912 0.002 2 0 "[ . 1 . 2]" 1
844 1 53 LEU HB2 1 56 ASN HB2 . . 4.560 2.422 2.099 3.322 . 0 0 "[ . 1 . 2]" 1
845 1 53 LEU HB2 1 56 ASN QD . . 4.030 2.017 1.928 2.167 . 0 0 "[ . 1 . 2]" 1
846 1 53 LEU HB3 1 54 PRO HD2 . . 3.560 2.021 1.946 2.237 . 0 0 "[ . 1 . 2]" 1
847 1 53 LEU HB3 1 54 PRO HD3 . . 4.010 3.072 2.976 3.272 . 0 0 "[ . 1 . 2]" 1
848 1 53 LEU HB3 1 55 GLU H . . 4.030 2.759 2.562 2.990 . 0 0 "[ . 1 . 2]" 1
849 1 53 LEU HB3 1 55 GLU HG2 . . 3.980 2.336 2.134 2.447 . 0 0 "[ . 1 . 2]" 1
850 1 53 LEU HB3 1 56 ASN H . . 4.110 2.998 2.800 3.419 . 0 0 "[ . 1 . 2]" 1
851 1 53 LEU QD 1 54 PRO HD2 . . 3.440 2.259 2.017 2.601 . 0 0 "[ . 1 . 2]" 1
852 1 53 LEU QD 1 54 PRO HD3 . . 3.430 2.290 1.970 2.481 . 0 0 "[ . 1 . 2]" 1
853 1 53 LEU QD 1 55 GLU H . . 5.240 3.790 3.636 4.079 . 0 0 "[ . 1 . 2]" 1
854 1 53 LEU QD 1 55 GLU HG2 . . 4.560 3.058 2.833 3.645 . 0 0 "[ . 1 . 2]" 1
855 1 53 LEU QD 1 55 GLU HG3 . . 4.730 3.698 3.421 4.295 . 0 0 "[ . 1 . 2]" 1
856 1 53 LEU QD 1 56 ASN QD . . 3.660 2.128 1.839 2.745 . 0 0 "[ . 1 . 2]" 1
857 1 54 PRO HA 1 56 ASN H . . 4.350 3.901 3.602 4.303 . 0 0 "[ . 1 . 2]" 1
858 1 54 PRO HB2 1 55 GLU H . . 3.780 3.249 3.040 3.494 . 0 0 "[ . 1 . 2]" 1
859 1 54 PRO HB3 1 55 GLU H . . 4.210 4.191 4.072 4.329 0.119 4 0 "[ . 1 . 2]" 1
860 1 54 PRO HD2 1 55 GLU H . . 4.560 2.270 2.253 2.319 . 0 0 "[ . 1 . 2]" 1
861 1 54 PRO HD3 1 55 GLU H . . 4.250 3.680 3.655 3.725 . 0 0 "[ . 1 . 2]" 1
862 1 54 PRO HG2 1 55 GLU H . . 4.250 2.786 2.576 3.064 . 0 0 "[ . 1 . 2]" 1
863 1 54 PRO HG3 1 55 GLU H . . 4.160 4.049 3.917 4.225 0.065 4 0 "[ . 1 . 2]" 1
864 1 55 GLU H 1 55 GLU QB . . 3.860 2.485 2.404 2.592 . 0 0 "[ . 1 . 2]" 1
865 1 55 GLU H 1 55 GLU HG2 . . 3.130 2.024 1.938 2.173 . 0 0 "[ . 1 . 2]" 1
866 1 55 GLU H 1 55 GLU HG3 . . 3.930 3.251 2.762 3.490 . 0 0 "[ . 1 . 2]" 1
867 1 55 GLU H 1 56 ASN H . . 3.730 2.560 2.456 2.671 . 0 0 "[ . 1 . 2]" 1
868 1 55 GLU H 1 57 SER H . . 5.370 3.804 3.592 3.924 . 0 0 "[ . 1 . 2]" 1
869 1 55 GLU HA 1 55 GLU HG2 . . 3.930 3.721 3.676 3.773 . 0 0 "[ . 1 . 2]" 1
870 1 55 GLU HA 1 55 GLU HG3 . . 3.800 3.761 3.693 3.812 0.012 1 0 "[ . 1 . 2]" 1
871 1 55 GLU HA 1 57 SER H . . 4.560 3.701 3.568 3.788 . 0 0 "[ . 1 . 2]" 1
872 1 55 GLU QB 1 56 ASN HA . . 4.740 4.485 4.315 4.638 . 0 0 "[ . 1 . 2]" 1
873 1 55 GLU HG2 1 56 ASN H . . 3.770 2.757 2.344 3.017 . 0 0 "[ . 1 . 2]" 1
874 1 55 GLU HG2 1 56 ASN QD . . 4.580 3.650 3.397 3.908 . 0 0 "[ . 1 . 2]" 1
875 1 55 GLU HG2 1 57 SER H . . 5.020 4.791 4.479 5.002 . 0 0 "[ . 1 . 2]" 1
876 1 55 GLU HG3 1 56 ASN H . . 4.620 2.798 1.958 3.343 . 0 0 "[ . 1 . 2]" 1
877 1 55 GLU HG3 1 56 ASN HA . . 4.930 3.657 3.414 3.863 . 0 0 "[ . 1 . 2]" 1
878 1 55 GLU HG3 1 56 ASN QD . . 4.870 3.159 2.533 3.488 . 0 0 "[ . 1 . 2]" 1
879 1 56 ASN H 1 56 ASN HB2 . . 3.930 2.476 2.401 2.645 . 0 0 "[ . 1 . 2]" 1
880 1 56 ASN H 1 56 ASN HB3 . . 3.630 3.637 3.585 3.671 0.041 17 0 "[ . 1 . 2]" 1
881 1 56 ASN H 1 57 SER H . . 3.330 2.271 2.105 2.502 . 0 0 "[ . 1 . 2]" 1
882 1 56 ASN H 1 57 SER HA . . 5.100 4.309 4.149 4.523 . 0 0 "[ . 1 . 2]" 1
883 1 56 ASN HA 1 59 TRP H . . 4.660 3.308 3.163 3.426 . 0 0 "[ . 1 . 2]" 1
884 1 56 ASN HA 1 59 TRP HD1 . . 3.060 2.935 2.713 3.082 0.022 7 0 "[ . 1 . 2]" 1
885 1 56 ASN HA 1 59 TRP HE1 . . 5.210 5.097 4.892 5.239 0.029 16 0 "[ . 1 . 2]" 1
886 1 56 ASN HB2 1 57 SER H . . 4.630 3.695 3.564 3.732 . 0 0 "[ . 1 . 2]" 1
887 1 56 ASN HB3 1 57 SER H . . 5.010 4.391 4.319 4.514 . 0 0 "[ . 1 . 2]" 1
888 1 56 ASN HB3 1 59 TRP H . . 5.480 3.602 3.359 3.827 . 0 0 "[ . 1 . 2]" 1
889 1 56 ASN HB3 1 59 TRP HD1 . . 3.670 2.786 2.284 3.123 . 0 0 "[ . 1 . 2]" 1
890 1 57 SER H 1 57 SER HB2 . . 3.500 2.381 2.033 2.730 . 0 0 "[ . 1 . 2]" 1
891 1 57 SER H 1 57 SER HB3 . . 3.230 2.638 2.270 3.216 . 0 0 "[ . 1 . 2]" 1
892 1 57 SER H 1 58 THR H . . 4.800 2.861 2.763 3.021 . 0 0 "[ . 1 . 2]" 1
893 1 57 SER H 1 59 TRP H . . 5.480 4.639 4.381 4.859 . 0 0 "[ . 1 . 2]" 1
894 1 57 SER HA 1 57 SER HB3 . . 2.790 3.028 2.954 3.052 0.262 5 0 "[ . 1 . 2]" 1
895 1 57 SER HA 1 60 TYR H . . 4.070 3.382 3.134 3.517 . 0 0 "[ . 1 . 2]" 1
896 1 57 SER HA 1 60 TYR HB2 . . 4.040 3.064 2.850 3.370 . 0 0 "[ . 1 . 2]" 1
897 1 57 SER HA 1 60 TYR HB3 . . 3.830 2.742 2.541 2.880 . 0 0 "[ . 1 . 2]" 1
898 1 57 SER HA 1 61 GLU H . . 4.870 3.909 3.743 4.048 . 0 0 "[ . 1 . 2]" 1
899 1 58 THR H 1 59 TRP H . . 4.300 2.728 2.489 2.983 . 0 0 "[ . 1 . 2]" 1
900 1 58 THR HA 1 58 THR HB . . 3.060 3.045 3.030 3.065 0.005 14 0 "[ . 1 . 2]" 1
901 1 58 THR HA 1 58 THR MG . . 3.110 2.558 2.458 2.661 . 0 0 "[ . 1 . 2]" 1
902 1 58 THR HA 1 60 TYR H . . 4.780 3.895 3.511 4.288 . 0 0 "[ . 1 . 2]" 1
903 1 58 THR HA 1 61 GLU H . . 3.920 3.146 2.970 3.306 . 0 0 "[ . 1 . 2]" 1
904 1 58 THR HA 1 61 GLU QB . . 3.630 2.319 2.032 2.676 . 0 0 "[ . 1 . 2]" 1
905 1 58 THR HA 1 61 GLU QG . . 4.020 3.240 2.848 3.896 . 0 0 "[ . 1 . 2]" 1
906 1 58 THR HB 1 59 TRP H . . 3.760 2.634 2.464 2.921 . 0 0 "[ . 1 . 2]" 1
907 1 58 THR MG 1 59 TRP H . . 3.930 3.130 2.738 3.447 . 0 0 "[ . 1 . 2]" 1
908 1 58 THR MG 1 59 TRP HA . . 4.380 3.301 2.989 3.615 . 0 0 "[ . 1 . 2]" 1
909 1 58 THR MG 1 61 GLU QB . . 4.300 3.775 3.459 4.045 . 0 0 "[ . 1 . 2]" 1
910 1 58 THR MG 1 62 ARG HD3 . . 4.430 4.397 3.721 4.692 0.262 7 0 "[ . 1 . 2]" 1
911 1 59 TRP H 1 59 TRP QB . . 3.320 2.226 2.159 2.299 . 0 0 "[ . 1 . 2]" 1
912 1 59 TRP H 1 60 TYR H . . 3.360 2.703 2.499 2.870 . 0 0 "[ . 1 . 2]" 1
913 1 59 TRP H 1 60 TYR HB2 . . 4.880 4.727 4.378 4.901 0.021 8 0 "[ . 1 . 2]" 1
914 1 59 TRP H 1 61 GLU H . . 4.910 4.461 4.287 4.588 . 0 0 "[ . 1 . 2]" 1
915 1 59 TRP HA 1 59 TRP HE3 . . 3.280 2.471 2.168 2.702 . 0 0 "[ . 1 . 2]" 1
916 1 59 TRP HA 1 61 GLU H . . 5.070 5.008 4.878 5.109 0.039 10 0 "[ . 1 . 2]" 1
917 1 59 TRP HA 1 62 ARG H . . 4.160 3.845 3.757 3.980 . 0 0 "[ . 1 . 2]" 1
918 1 59 TRP HA 1 62 ARG HB3 . . 4.230 4.121 3.991 4.337 0.107 3 0 "[ . 1 . 2]" 1
919 1 59 TRP HA 1 63 TYR H . . 4.290 4.199 4.064 4.278 . 0 0 "[ . 1 . 2]" 1
920 1 59 TRP QB 1 59 TRP HD1 . . 2.750 2.564 2.546 2.584 . 0 0 "[ . 1 . 2]" 1
921 1 59 TRP QB 1 59 TRP HE1 . . 4.570 4.535 4.521 4.547 . 0 0 "[ . 1 . 2]" 1
922 1 59 TRP QB 1 59 TRP HE3 . . 3.810 2.780 2.685 2.910 . 0 0 "[ . 1 . 2]" 1
923 1 59 TRP QB 1 60 TYR H . . 4.020 2.927 2.665 3.259 . 0 0 "[ . 1 . 2]" 1
924 1 59 TRP QB 1 60 TYR HB2 . . 4.870 4.049 3.954 4.170 . 0 0 "[ . 1 . 2]" 1
925 1 59 TRP QB 1 63 TYR QD . . 3.820 3.784 3.582 3.934 0.114 17 0 "[ . 1 . 2]" 1
926 1 59 TRP HE3 1 62 ARG HD2 . . 4.290 3.073 1.959 3.668 . 0 0 "[ . 1 . 2]" 1
927 1 59 TRP HE3 1 62 ARG HD3 . . 4.120 2.316 1.920 3.866 . 0 0 "[ . 1 . 2]" 1
928 1 59 TRP HE3 1 63 TYR H . . 5.390 5.062 4.838 5.356 . 0 0 "[ . 1 . 2]" 1
929 1 59 TRP HE3 1 63 TYR QE . . 3.430 3.089 2.887 3.300 . 0 0 "[ . 1 . 2]" 1
930 1 59 TRP HE3 1 71 HIS HE1 . . 3.830 3.992 3.861 4.067 0.237 19 0 "[ . 1 . 2]" 1
931 1 59 TRP HH2 1 71 HIS HE1 . . 3.190 3.303 3.232 3.335 0.145 17 0 "[ . 1 . 2]" 1
932 1 59 TRP HZ3 1 62 ARG HD2 . . 4.220 3.811 2.400 4.293 0.073 3 0 "[ . 1 . 2]" 1
933 1 59 TRP HZ3 1 62 ARG HD3 . . 4.070 3.032 2.480 4.144 0.074 2 0 "[ . 1 . 2]" 1
934 1 59 TRP HZ3 1 63 TYR QE . . 3.590 2.093 1.970 2.404 . 0 0 "[ . 1 . 2]" 1
935 1 59 TRP HZ3 1 71 HIS HE1 . . 3.100 1.894 1.859 1.961 . 0 0 "[ . 1 . 2]" 1
936 1 60 TYR H 1 60 TYR HB2 . . 3.410 2.321 2.191 2.529 . 0 0 "[ . 1 . 2]" 1
937 1 60 TYR H 1 60 TYR HB3 . . 3.180 2.409 2.336 2.488 . 0 0 "[ . 1 . 2]" 1
938 1 60 TYR H 1 60 TYR QD . . 4.370 4.086 4.043 4.132 . 0 0 "[ . 1 . 2]" 1
939 1 60 TYR H 1 61 GLU H . . 3.690 2.546 2.364 2.751 . 0 0 "[ . 1 . 2]" 1
940 1 60 TYR H 1 61 GLU QG . . 5.190 4.373 4.184 4.590 . 0 0 "[ . 1 . 2]" 1
941 1 60 TYR H 1 62 ARG H . . 5.400 3.659 3.406 3.967 . 0 0 "[ . 1 . 2]" 1
942 1 60 TYR HA 1 60 TYR QD . . 3.080 3.125 3.065 3.215 0.135 14 0 "[ . 1 . 2]" 1
943 1 60 TYR HA 1 63 TYR HB2 . . 4.880 3.406 3.271 3.579 . 0 0 "[ . 1 . 2]" 1
944 1 60 TYR HA 1 63 TYR HB3 . . 4.670 4.558 4.346 4.702 0.032 12 0 "[ . 1 . 2]" 1
945 1 60 TYR HA 1 64 LYS H . . 4.490 4.463 4.334 4.545 0.055 11 0 "[ . 1 . 2]" 1
946 1 60 TYR HA 1 64 LYS HA . . 4.590 3.537 3.333 3.656 . 0 0 "[ . 1 . 2]" 1
947 1 60 TYR HB2 1 61 GLU H . . 3.980 3.544 3.479 3.631 . 0 0 "[ . 1 . 2]" 1
948 1 60 TYR HB3 1 61 GLU H . . 3.540 2.146 2.060 2.282 . 0 0 "[ . 1 . 2]" 1
949 1 60 TYR HB3 1 62 ARG H . . 5.150 4.430 4.343 4.584 . 0 0 "[ . 1 . 2]" 1
950 1 60 TYR QD 1 61 GLU H . . 3.490 3.217 2.995 3.410 . 0 0 "[ . 1 . 2]" 1
951 1 60 TYR QD 1 61 GLU HA . . 4.110 2.848 2.637 3.020 . 0 0 "[ . 1 . 2]" 1
952 1 60 TYR QD 1 61 GLU QG . . 3.270 3.039 2.813 3.270 . 0 0 "[ . 1 . 2]" 1
953 1 60 TYR QD 1 64 LYS HA . . 4.200 3.894 3.656 4.027 . 0 0 "[ . 1 . 2]" 1
954 1 60 TYR QE 1 64 LYS HA . . 4.010 3.873 3.705 4.023 0.013 12 0 "[ . 1 . 2]" 1
955 1 60 TYR QE 1 64 LYS QB . . 4.330 2.267 1.981 2.504 . 0 0 "[ . 1 . 2]" 1
956 1 60 TYR QE 1 64 LYS HD2 . . 4.360 3.324 2.591 3.788 . 0 0 "[ . 1 . 2]" 1
957 1 60 TYR QE 1 64 LYS HD3 . . 4.320 2.861 2.412 4.399 0.079 17 0 "[ . 1 . 2]" 1
958 1 61 GLU H 1 61 GLU QB . . 3.070 2.359 2.294 2.427 . 0 0 "[ . 1 . 2]" 1
959 1 61 GLU H 1 61 GLU QG . . 3.210 2.361 2.175 2.500 . 0 0 "[ . 1 . 2]" 1
960 1 61 GLU H 1 62 ARG H . . 3.550 2.787 2.726 2.917 . 0 0 "[ . 1 . 2]" 1
961 1 61 GLU H 1 62 ARG HG2 . . 4.920 4.348 4.245 4.476 . 0 0 "[ . 1 . 2]" 1
962 1 61 GLU HA 1 61 GLU QG . . 3.380 2.250 2.160 2.418 . 0 0 "[ . 1 . 2]" 1
963 1 61 GLU HA 1 64 LYS H . . 5.010 4.845 4.586 5.045 0.035 8 0 "[ . 1 . 2]" 1
964 1 61 GLU HA 1 64 LYS QB . . 4.190 3.340 3.102 3.614 . 0 0 "[ . 1 . 2]" 1
965 1 61 GLU HA 1 64 LYS HD2 . . 4.330 4.126 2.333 4.353 0.023 1 0 "[ . 1 . 2]" 1
966 1 61 GLU HA 1 64 LYS HD3 . . 3.870 2.655 2.075 2.869 . 0 0 "[ . 1 . 2]" 1
967 1 61 GLU HA 1 64 LYS HE2 . . 3.980 3.251 3.029 4.032 0.052 17 0 "[ . 1 . 2]" 1
968 1 61 GLU HA 1 64 LYS HE3 . . 4.140 4.151 4.005 4.179 0.039 11 0 "[ . 1 . 2]" 1
969 1 61 GLU HA 1 64 LYS HG2 . . 4.410 4.126 3.838 4.505 0.095 17 0 "[ . 1 . 2]" 1
970 1 61 GLU QB 1 62 ARG H . . 3.490 3.058 2.760 3.178 . 0 0 "[ . 1 . 2]" 1
971 1 61 GLU QB 1 62 ARG HB3 . . 4.220 4.042 3.978 4.084 . 0 0 "[ . 1 . 2]" 1
972 1 61 GLU QB 1 63 TYR H . . 5.500 4.816 4.616 4.914 . 0 0 "[ . 1 . 2]" 1
973 1 61 GLU QG 1 62 ARG H . . 4.380 4.347 4.236 4.397 0.017 15 0 "[ . 1 . 2]" 1
974 1 62 ARG H 1 62 ARG HB2 . . 3.700 3.654 3.595 3.690 . 0 0 "[ . 1 . 2]" 1
975 1 62 ARG H 1 62 ARG HB3 . . 3.400 2.712 2.648 2.788 . 0 0 "[ . 1 . 2]" 1
976 1 62 ARG H 1 62 ARG HG2 . . 3.220 2.165 1.941 2.257 . 0 0 "[ . 1 . 2]" 1
977 1 62 ARG H 1 62 ARG HG3 . . 3.930 3.058 2.858 3.229 . 0 0 "[ . 1 . 2]" 1
978 1 62 ARG H 1 63 TYR H . . 3.180 2.115 2.000 2.309 . 0 0 "[ . 1 . 2]" 1
979 1 62 ARG H 1 64 LYS H . . 4.810 4.791 4.635 4.874 0.064 3 0 "[ . 1 . 2]" 1
980 1 62 ARG HA 1 62 ARG HB2 . . 3.060 2.444 2.415 2.500 . 0 0 "[ . 1 . 2]" 1
981 1 62 ARG HA 1 62 ARG HG3 . . 3.670 3.659 3.626 3.728 0.058 3 0 "[ . 1 . 2]" 1
982 1 62 ARG HB2 1 62 ARG HD2 . . 4.220 3.223 2.961 3.575 . 0 0 "[ . 1 . 2]" 1
983 1 62 ARG HB2 1 62 ARG HD3 . . 4.160 3.353 2.201 3.745 . 0 0 "[ . 1 . 2]" 1
984 1 62 ARG HB3 1 62 ARG HD2 . . 4.280 2.994 2.537 3.910 . 0 0 "[ . 1 . 2]" 1
985 1 62 ARG HB3 1 62 ARG HD3 . . 4.270 3.666 2.889 3.898 . 0 0 "[ . 1 . 2]" 1
986 1 62 ARG HB3 1 63 TYR H . . 3.950 3.981 3.893 4.055 0.105 4 0 "[ . 1 . 2]" 1
987 1 62 ARG HG2 1 63 TYR H . . 3.830 2.623 2.362 2.853 . 0 0 "[ . 1 . 2]" 1
988 1 62 ARG HG2 1 63 TYR QD . . 3.690 3.416 3.307 3.704 0.014 3 0 "[ . 1 . 2]" 1
989 1 62 ARG HG2 1 63 TYR QE . . 5.060 4.646 4.529 4.976 . 0 0 "[ . 1 . 2]" 1
990 1 62 ARG HG3 1 63 TYR H . . 3.800 2.369 2.188 2.469 . 0 0 "[ . 1 . 2]" 1
991 1 62 ARG HG3 1 63 TYR HB3 . . 4.780 3.929 3.882 4.018 . 0 0 "[ . 1 . 2]" 1
992 1 62 ARG HG3 1 63 TYR QD . . 3.660 2.474 2.332 2.628 . 0 0 "[ . 1 . 2]" 1
993 1 63 TYR H 1 63 TYR HB2 . . 3.640 2.498 2.397 2.551 . 0 0 "[ . 1 . 2]" 1
994 1 63 TYR H 1 63 TYR HB3 . . 3.970 3.670 3.607 3.700 . 0 0 "[ . 1 . 2]" 1
995 1 63 TYR H 1 63 TYR QD . . 4.340 3.704 3.629 3.760 . 0 0 "[ . 1 . 2]" 1
996 1 63 TYR H 1 64 LYS H . . 3.380 3.360 3.233 3.436 0.056 9 0 "[ . 1 . 2]" 1
997 1 63 TYR H 1 64 LYS HA . . 5.150 4.488 4.408 4.545 . 0 0 "[ . 1 . 2]" 1
998 1 63 TYR H 1 64 LYS QB . . 4.370 4.035 3.970 4.131 . 0 0 "[ . 1 . 2]" 1
999 1 63 TYR H 1 64 LYS HG2 . . 4.890 4.610 4.319 4.784 . 0 0 "[ . 1 . 2]" 1
1000 1 63 TYR HA 1 63 TYR QD . . 2.790 2.133 2.083 2.198 . 0 0 "[ . 1 . 2]" 1
1001 1 63 TYR HA 1 63 TYR QE . . 4.340 4.432 4.400 4.458 0.118 6 0 "[ . 1 . 2]" 1
1002 1 63 TYR HA 1 65 PHE H . . 4.750 3.133 3.024 3.594 . 0 0 "[ . 1 . 2]" 1
1003 1 63 TYR HA 1 66 ASP H . . 5.260 3.111 2.917 3.422 . 0 0 "[ . 1 . 2]" 1
1004 1 63 TYR HA 1 66 ASP HB2 . . 4.470 3.202 2.950 3.605 . 0 0 "[ . 1 . 2]" 1
1005 1 63 TYR HA 1 66 ASP HB3 . . 4.850 4.567 4.436 4.747 . 0 0 "[ . 1 . 2]" 1
1006 1 63 TYR HA 1 69 VAL MG2 . . 4.030 3.876 3.706 4.048 0.018 9 0 "[ . 1 . 2]" 1
1007 1 63 TYR HB2 1 64 LYS H . . 4.760 4.512 4.478 4.536 . 0 0 "[ . 1 . 2]" 1
1008 1 63 TYR HB2 1 67 ILE MD . . 4.260 4.279 4.146 4.366 0.106 20 0 "[ . 1 . 2]" 1
1009 1 63 TYR HB2 1 67 ILE MG . . 3.850 3.143 2.934 3.385 . 0 0 "[ . 1 . 2]" 1
1010 1 63 TYR HB2 1 69 VAL MG2 . . 3.660 3.446 3.075 3.663 0.003 11 0 "[ . 1 . 2]" 1
1011 1 63 TYR HB3 1 64 LYS H . . 4.830 4.350 4.307 4.399 . 0 0 "[ . 1 . 2]" 1
1012 1 63 TYR HB3 1 67 ILE MD . . 3.950 3.829 3.641 3.962 0.012 17 0 "[ . 1 . 2]" 1
1013 1 63 TYR HB3 1 67 ILE MG . . 3.590 2.167 1.956 2.293 . 0 0 "[ . 1 . 2]" 1
1014 1 63 TYR HB3 1 69 VAL HB . . 4.990 3.834 3.505 4.010 . 0 0 "[ . 1 . 2]" 1
1015 1 63 TYR HB3 1 69 VAL MG2 . . 3.010 2.228 1.947 2.510 . 0 0 "[ . 1 . 2]" 1
1016 1 63 TYR QD 1 64 LYS H . . 5.220 4.466 4.395 4.549 . 0 0 "[ . 1 . 2]" 1
1017 1 63 TYR QD 1 66 ASP HB2 . . 4.110 2.260 1.990 2.769 . 0 0 "[ . 1 . 2]" 1
1018 1 63 TYR QD 1 67 ILE MG . . 3.970 3.947 3.716 4.024 0.054 17 0 "[ . 1 . 2]" 1
1019 1 63 TYR QD 1 69 VAL MG1 . . 4.230 3.476 3.195 3.657 . 0 0 "[ . 1 . 2]" 1
1020 1 63 TYR QD 1 69 VAL MG2 . . 3.620 2.802 2.651 3.086 . 0 0 "[ . 1 . 2]" 1
1021 1 63 TYR QD 1 79 MET ME . . 4.380 4.383 4.052 4.457 0.077 11 0 "[ . 1 . 2]" 1
1022 1 63 TYR QE 1 69 VAL MG1 . . 3.370 3.144 2.665 3.381 0.011 17 0 "[ . 1 . 2]" 1
1023 1 63 TYR QE 1 69 VAL MG2 . . 4.080 3.478 3.266 3.757 . 0 0 "[ . 1 . 2]" 1
1024 1 63 TYR QE 1 79 MET ME . . 4.330 2.844 2.431 3.031 . 0 0 "[ . 1 . 2]" 1
1025 1 64 LYS H 1 64 LYS QB . . 3.140 2.839 2.737 2.950 . 0 0 "[ . 1 . 2]" 1
1026 1 64 LYS H 1 64 LYS HD3 . . 4.380 4.162 2.956 4.295 . 0 0 "[ . 1 . 2]" 1
1027 1 64 LYS H 1 64 LYS HE3 . . 5.080 4.850 4.657 5.008 . 0 0 "[ . 1 . 2]" 1
1028 1 64 LYS H 1 64 LYS HG2 . . 3.360 1.923 1.861 1.956 . 0 0 "[ . 1 . 2]" 1
1029 1 64 LYS H 1 64 LYS HG3 . . 3.820 3.219 3.067 3.485 . 0 0 "[ . 1 . 2]" 1
1030 1 64 LYS H 1 65 PHE H . . 4.040 1.987 1.904 2.101 . 0 0 "[ . 1 . 2]" 1
1031 1 64 LYS HA 1 64 LYS QB . . 2.620 2.173 2.173 2.174 . 0 0 "[ . 1 . 2]" 1
1032 1 64 LYS HA 1 64 LYS HG2 . . 4.020 3.663 3.545 3.695 . 0 0 "[ . 1 . 2]" 1
1033 1 64 LYS HA 1 64 LYS HG3 . . 4.090 3.813 3.770 4.061 . 0 0 "[ . 1 . 2]" 1
1034 1 64 LYS HA 1 67 ILE MD . . 4.080 2.332 2.007 2.732 . 0 0 "[ . 1 . 2]" 1
1035 1 64 LYS HA 1 67 ILE HG12 . . 4.180 3.438 3.085 3.719 . 0 0 "[ . 1 . 2]" 1
1036 1 64 LYS HA 1 67 ILE MG . . 4.270 4.112 3.622 4.340 0.070 12 0 "[ . 1 . 2]" 1
1037 1 64 LYS QB 1 65 PHE H . . 3.920 3.850 3.583 3.957 0.037 16 0 "[ . 1 . 2]" 1
1038 1 64 LYS HE2 1 64 LYS HG2 . . 3.780 2.069 1.990 2.517 . 0 0 "[ . 1 . 2]" 1
1039 1 64 LYS HE2 1 64 LYS HG3 . . 3.900 3.189 2.887 3.314 . 0 0 "[ . 1 . 2]" 1
1040 1 64 LYS HE2 1 65 PHE QD . . 3.750 3.716 2.939 3.780 0.030 19 0 "[ . 1 . 2]" 1
1041 1 64 LYS HE2 1 65 PHE QE . . 3.920 2.349 2.018 2.674 . 0 0 "[ . 1 . 2]" 1
1042 1 64 LYS HE2 1 65 PHE HZ . . 3.980 3.549 3.104 3.934 . 0 0 "[ . 1 . 2]" 1
1043 1 64 LYS HE3 1 64 LYS HG2 . . 3.750 3.062 2.974 3.252 . 0 0 "[ . 1 . 2]" 1
1044 1 64 LYS HE3 1 64 LYS HG3 . . 3.670 3.278 2.564 3.461 . 0 0 "[ . 1 . 2]" 1
1045 1 64 LYS HE3 1 65 PHE QD . . 3.740 3.515 3.327 3.845 0.105 17 0 "[ . 1 . 2]" 1
1046 1 64 LYS HE3 1 65 PHE QE . . 3.860 2.075 1.973 2.187 . 0 0 "[ . 1 . 2]" 1
1047 1 64 LYS HE3 1 65 PHE HZ . . 4.150 4.026 2.317 4.169 0.019 19 0 "[ . 1 . 2]" 1
1048 1 64 LYS HG2 1 65 PHE H . . 3.930 2.928 1.989 3.257 . 0 0 "[ . 1 . 2]" 1
1049 1 64 LYS HG2 1 65 PHE QE . . 4.110 2.964 2.695 3.461 . 0 0 "[ . 1 . 2]" 1
1050 1 64 LYS HG3 1 65 PHE H . . 3.710 3.409 3.128 3.684 . 0 0 "[ . 1 . 2]" 1
1051 1 64 LYS HG3 1 65 PHE QD . . 4.070 2.091 1.990 3.161 . 0 0 "[ . 1 . 2]" 1
1052 1 64 LYS HG3 1 65 PHE QE . . 3.830 3.306 2.764 3.538 . 0 0 "[ . 1 . 2]" 1
1053 1 65 PHE H 1 65 PHE HB2 . . 3.770 3.573 2.588 3.744 . 0 0 "[ . 1 . 2]" 1
1054 1 65 PHE H 1 65 PHE HB3 . . 3.620 3.419 3.310 3.607 . 0 0 "[ . 1 . 2]" 1
1055 1 65 PHE H 1 65 PHE QE . . 4.260 4.028 3.845 4.447 0.187 17 0 "[ . 1 . 2]" 1
1056 1 65 PHE H 1 66 ASP H . . 3.140 1.951 1.882 2.400 . 0 0 "[ . 1 . 2]" 1
1057 1 65 PHE H 1 66 ASP HB2 . . 4.750 4.350 4.113 4.785 0.035 17 0 "[ . 1 . 2]" 1
1058 1 65 PHE H 1 67 ILE H . . 4.480 3.953 3.620 4.231 . 0 0 "[ . 1 . 2]" 1
1059 1 65 PHE HB2 1 66 ASP H . . 4.680 4.244 3.767 4.380 . 0 0 "[ . 1 . 2]" 1
1060 1 65 PHE HB3 1 66 ASP H . . 4.690 4.602 4.539 4.662 . 0 0 "[ . 1 . 2]" 1
1061 1 66 ASP H 1 66 ASP HB2 . . 3.690 2.875 2.702 3.002 . 0 0 "[ . 1 . 2]" 1
1062 1 66 ASP H 1 66 ASP HB3 . . 4.050 3.741 3.669 3.812 . 0 0 "[ . 1 . 2]" 1
1063 1 66 ASP H 1 67 ILE H . . 3.400 2.281 1.907 2.603 . 0 0 "[ . 1 . 2]" 1
1064 1 66 ASP H 1 67 ILE MD . . 4.920 3.993 3.871 4.243 . 0 0 "[ . 1 . 2]" 1
1065 1 66 ASP H 1 67 ILE HG12 . . 5.160 2.605 2.418 2.837 . 0 0 "[ . 1 . 2]" 1
1066 1 66 ASP H 1 67 ILE HG13 . . 4.370 4.006 3.736 4.385 0.015 19 0 "[ . 1 . 2]" 1
1067 1 66 ASP H 1 67 ILE MG . . 4.610 3.864 3.704 3.972 . 0 0 "[ . 1 . 2]" 1
1068 1 66 ASP H 1 69 VAL MG2 . . 4.630 4.047 3.868 4.152 . 0 0 "[ . 1 . 2]" 1
1069 1 66 ASP HA 1 69 VAL MG2 . . 4.670 4.292 4.148 4.499 . 0 0 "[ . 1 . 2]" 1
1070 1 66 ASP HA 1 80 HIS HD2 . . 3.230 2.715 2.074 3.286 0.056 13 0 "[ . 1 . 2]" 1
1071 1 66 ASP HB2 1 67 ILE H . . 4.540 3.401 2.463 4.158 . 0 0 "[ . 1 . 2]" 1
1072 1 66 ASP HB2 1 69 VAL MG2 . . 3.830 2.517 2.121 2.911 . 0 0 "[ . 1 . 2]" 1
1073 1 66 ASP HB2 1 79 MET HB2 . . 4.310 3.762 3.455 3.986 . 0 0 "[ . 1 . 2]" 1
1074 1 66 ASP HB2 1 79 MET ME . . 4.470 4.434 4.205 4.620 0.150 19 0 "[ . 1 . 2]" 1
1075 1 66 ASP HB2 1 80 HIS HD2 . . 3.690 3.728 3.505 3.809 0.119 11 0 "[ . 1 . 2]" 1
1076 1 66 ASP HB3 1 67 ILE H . . 4.730 4.310 3.860 4.672 . 0 0 "[ . 1 . 2]" 1
1077 1 66 ASP HB3 1 69 VAL MG2 . . 3.820 3.397 2.886 3.828 0.008 10 0 "[ . 1 . 2]" 1
1078 1 66 ASP HB3 1 79 MET HB2 . . 4.320 3.617 3.073 3.902 . 0 0 "[ . 1 . 2]" 1
1079 1 66 ASP HB3 1 79 MET HB3 . . 4.820 4.745 4.322 4.922 0.102 11 0 "[ . 1 . 2]" 1
1080 1 66 ASP HB3 1 79 MET ME . . 4.030 3.825 3.699 3.974 . 0 0 "[ . 1 . 2]" 1
1081 1 66 ASP HB3 1 80 HIS HD2 . . 3.590 2.977 2.439 3.349 . 0 0 "[ . 1 . 2]" 1
1082 1 67 ILE H 1 67 ILE HB . . 3.790 3.476 3.379 3.553 . 0 0 "[ . 1 . 2]" 1
1083 1 67 ILE H 1 67 ILE MD . . 3.790 3.451 3.194 3.596 . 0 0 "[ . 1 . 2]" 1
1084 1 67 ILE H 1 67 ILE HG12 . . 3.370 1.928 1.842 2.052 . 0 0 "[ . 1 . 2]" 1
1085 1 67 ILE H 1 67 ILE HG13 . . 3.490 2.636 2.070 3.314 . 0 0 "[ . 1 . 2]" 1
1086 1 67 ILE H 1 67 ILE MG . . 3.570 2.929 2.263 3.457 . 0 0 "[ . 1 . 2]" 1
1087 1 67 ILE H 1 69 VAL MG2 . . 4.560 3.382 2.665 3.957 . 0 0 "[ . 1 . 2]" 1
1088 1 67 ILE HA 1 67 ILE MG . . 3.110 2.060 1.917 2.248 . 0 0 "[ . 1 . 2]" 1
1089 1 67 ILE HA 1 69 VAL H . . 3.790 2.687 2.289 3.039 . 0 0 "[ . 1 . 2]" 1
1090 1 67 ILE HA 1 69 VAL MG2 . . 3.030 2.013 1.916 2.168 . 0 0 "[ . 1 . 2]" 1
1091 1 67 ILE HB 1 67 ILE MD . . 3.420 2.418 2.311 2.523 . 0 0 "[ . 1 . 2]" 1
1092 1 67 ILE HB 1 69 VAL H . . 4.280 3.613 3.352 3.857 . 0 0 "[ . 1 . 2]" 1
1093 1 67 ILE MD 1 68 PRO HA . . 4.090 3.923 3.755 4.116 0.026 19 0 "[ . 1 . 2]" 1
1094 1 67 ILE MD 1 69 VAL H . . 4.650 4.745 4.724 4.786 0.136 3 0 "[ . 1 . 2]" 1
1095 1 67 ILE HG12 1 67 ILE MG . . 3.070 2.505 2.385 2.669 . 0 0 "[ . 1 . 2]" 1
1096 1 67 ILE HG12 1 69 VAL MG2 . . 4.260 3.976 3.794 4.164 . 0 0 "[ . 1 . 2]" 1
1097 1 67 ILE MG 1 68 PRO HA . . 3.370 2.305 2.039 2.638 . 0 0 "[ . 1 . 2]" 1
1098 1 67 ILE MG 1 68 PRO HB3 . . 4.230 3.993 3.676 4.340 0.110 13 0 "[ . 1 . 2]" 1
1099 1 67 ILE MG 1 69 VAL H . . 3.820 1.983 1.892 2.379 . 0 0 "[ . 1 . 2]" 1
1100 1 67 ILE MG 1 69 VAL MG2 . . 3.310 2.003 1.876 2.295 . 0 0 "[ . 1 . 2]" 1
1101 1 68 PRO HA 1 69 VAL H . . 3.500 2.226 2.164 2.289 . 0 0 "[ . 1 . 2]" 1
1102 1 68 PRO HB2 1 69 VAL H . . 4.280 3.349 3.109 3.615 . 0 0 "[ . 1 . 2]" 1
1103 1 68 PRO HB2 1 70 PHE QE . . 3.970 2.891 2.744 3.027 . 0 0 "[ . 1 . 2]" 1
1104 1 68 PRO HB3 1 69 VAL H . . 4.560 3.768 3.615 3.943 . 0 0 "[ . 1 . 2]" 1
1105 1 68 PRO HB3 1 70 PHE QE . . 4.570 4.359 4.227 4.456 . 0 0 "[ . 1 . 2]" 1
1106 1 68 PRO HD2 1 80 HIS H . . 4.560 3.167 3.030 3.456 . 0 0 "[ . 1 . 2]" 1
1107 1 68 PRO HG2 1 70 PHE QE . . 3.740 2.464 2.268 2.645 . 0 0 "[ . 1 . 2]" 1
1108 1 68 PRO HG2 1 80 HIS H . . 4.700 4.419 4.231 4.744 0.044 16 0 "[ . 1 . 2]" 1
1109 1 68 PRO HG3 1 70 PHE QE . . 4.060 4.083 3.914 4.205 0.145 8 0 "[ . 1 . 2]" 1
1110 1 69 VAL H 1 69 VAL HB . . 3.930 2.394 2.341 2.478 . 0 0 "[ . 1 . 2]" 1
1111 1 69 VAL H 1 69 VAL MG2 . . 3.700 2.718 2.645 2.804 . 0 0 "[ . 1 . 2]" 1
1112 1 69 VAL H 1 70 PHE H . . 5.340 4.528 4.409 4.556 . 0 0 "[ . 1 . 2]" 1
1113 1 69 VAL HA 1 69 VAL MG1 . . 3.230 2.456 2.340 2.520 . 0 0 "[ . 1 . 2]" 1
1114 1 69 VAL HA 1 69 VAL MG2 . . 3.160 2.308 2.227 2.371 . 0 0 "[ . 1 . 2]" 1
1115 1 69 VAL HA 1 70 PHE H . . 3.330 2.298 2.185 2.366 . 0 0 "[ . 1 . 2]" 1
1116 1 69 VAL HA 1 70 PHE QD . . 3.470 3.141 3.008 3.406 . 0 0 "[ . 1 . 2]" 1
1117 1 69 VAL HA 1 79 MET HA . . 3.430 2.388 2.223 2.649 . 0 0 "[ . 1 . 2]" 1
1118 1 69 VAL HA 1 79 MET HB2 . . 4.490 2.675 2.487 2.858 . 0 0 "[ . 1 . 2]" 1
1119 1 69 VAL HA 1 79 MET HB3 . . 3.920 2.292 2.028 2.544 . 0 0 "[ . 1 . 2]" 1
1120 1 69 VAL HA 1 80 HIS H . . 4.460 3.579 3.461 3.752 . 0 0 "[ . 1 . 2]" 1
1121 1 69 VAL HB 1 70 PHE H . . 4.830 4.077 3.933 4.409 . 0 0 "[ . 1 . 2]" 1
1122 1 69 VAL MG1 1 70 PHE H . . 3.150 2.324 2.048 2.921 . 0 0 "[ . 1 . 2]" 1
1123 1 69 VAL MG1 1 70 PHE HA . . 4.490 3.527 3.359 3.827 . 0 0 "[ . 1 . 2]" 1
1124 1 69 VAL MG1 1 71 HIS HD2 . . 3.230 2.219 2.024 2.297 . 0 0 "[ . 1 . 2]" 1
1125 1 69 VAL MG1 1 76 PHE HA . . 4.250 3.684 3.556 3.785 . 0 0 "[ . 1 . 2]" 1
1126 1 69 VAL MG1 1 76 PHE QD . . 2.850 2.918 2.896 2.944 0.094 18 0 "[ . 1 . 2]" 1
1127 1 69 VAL MG1 1 77 LEU H . . 4.770 4.370 4.198 4.528 . 0 0 "[ . 1 . 2]" 1
1128 1 69 VAL MG1 1 79 MET HA . . 4.070 3.919 3.824 4.080 0.010 13 0 "[ . 1 . 2]" 1
1129 1 69 VAL MG1 1 79 MET HB3 . . 3.690 2.248 1.958 2.515 . 0 0 "[ . 1 . 2]" 1
1130 1 69 VAL MG2 1 70 PHE H . . 3.980 3.890 3.726 4.064 0.084 13 0 "[ . 1 . 2]" 1
1131 1 69 VAL MG2 1 79 MET HA . . 3.810 3.653 3.463 3.822 0.012 16 0 "[ . 1 . 2]" 1
1132 1 69 VAL MG2 1 79 MET HB2 . . 3.360 2.098 1.946 2.469 . 0 0 "[ . 1 . 2]" 1
1133 1 69 VAL MG2 1 79 MET HB3 . . 3.060 2.404 1.985 2.887 . 0 0 "[ . 1 . 2]" 1
1134 1 69 VAL MG2 1 79 MET HG3 . . 4.870 4.084 3.915 4.474 . 0 0 "[ . 1 . 2]" 1
1135 1 69 VAL MG2 1 80 HIS H . . 4.350 3.646 3.395 3.824 . 0 0 "[ . 1 . 2]" 1
1136 1 70 PHE H 1 70 PHE HB2 . . 4.000 2.513 2.328 2.587 . 0 0 "[ . 1 . 2]" 1
1137 1 70 PHE H 1 70 PHE QD . . 3.640 2.750 2.311 2.970 . 0 0 "[ . 1 . 2]" 1
1138 1 70 PHE H 1 71 HIS HD2 . . 4.220 3.122 2.834 3.600 . 0 0 "[ . 1 . 2]" 1
1139 1 70 PHE H 1 78 MET H . . 4.370 3.068 2.990 3.207 . 0 0 "[ . 1 . 2]" 1
1140 1 70 PHE H 1 78 MET HG3 . . 4.930 4.393 3.998 4.617 . 0 0 "[ . 1 . 2]" 1
1141 1 70 PHE H 1 79 MET HA . . 3.970 3.210 2.849 3.406 . 0 0 "[ . 1 . 2]" 1
1142 1 70 PHE H 1 79 MET HB3 . . 5.240 3.050 2.829 3.207 . 0 0 "[ . 1 . 2]" 1
1143 1 70 PHE HA 1 70 PHE QD . . 4.020 3.033 2.986 3.074 . 0 0 "[ . 1 . 2]" 1
1144 1 70 PHE HA 1 71 HIS H . . 3.030 2.195 2.193 2.200 . 0 0 "[ . 1 . 2]" 1
1145 1 70 PHE HA 1 71 HIS HD2 . . 4.330 3.876 3.726 4.024 . 0 0 "[ . 1 . 2]" 1
1146 1 70 PHE HB2 1 71 HIS H . . 4.740 4.377 4.326 4.450 . 0 0 "[ . 1 . 2]" 1
1147 1 70 PHE HB2 1 77 LEU H . . 4.930 3.894 3.761 4.006 . 0 0 "[ . 1 . 2]" 1
1148 1 70 PHE HB2 1 77 LEU HB3 . . 4.370 3.905 3.784 4.006 . 0 0 "[ . 1 . 2]" 1
1149 1 70 PHE HB2 1 77 LEU MD2 . . 3.760 2.730 2.621 2.800 . 0 0 "[ . 1 . 2]" 1
1150 1 70 PHE HB2 1 77 LEU HG . . 4.140 2.773 2.624 2.849 . 0 0 "[ . 1 . 2]" 1
1151 1 70 PHE HB2 1 78 MET H . . 3.970 2.544 2.474 2.614 . 0 0 "[ . 1 . 2]" 1
1152 1 70 PHE HB2 1 78 MET ME . . 3.560 3.183 3.080 3.324 . 0 0 "[ . 1 . 2]" 1
1153 1 70 PHE HB2 1 78 MET HG2 . . 3.860 2.041 1.974 2.167 . 0 0 "[ . 1 . 2]" 1
1154 1 70 PHE HB2 1 78 MET HG3 . . 4.110 3.056 3.009 3.092 . 0 0 "[ . 1 . 2]" 1
1155 1 70 PHE HB3 1 71 HIS H . . 4.420 3.581 3.482 3.724 . 0 0 "[ . 1 . 2]" 1
1156 1 70 PHE HB3 1 77 LEU MD2 . . 3.640 1.972 1.959 2.025 . 0 0 "[ . 1 . 2]" 1
1157 1 70 PHE HB3 1 78 MET H . . 4.370 3.809 3.732 3.882 . 0 0 "[ . 1 . 2]" 1
1158 1 70 PHE HB3 1 78 MET ME . . 3.650 3.243 3.075 3.510 . 0 0 "[ . 1 . 2]" 1
1159 1 70 PHE HB3 1 78 MET HG2 . . 4.120 3.198 3.087 3.330 . 0 0 "[ . 1 . 2]" 1
1160 1 70 PHE HB3 1 78 MET HG3 . . 4.420 4.435 4.352 4.472 0.052 13 0 "[ . 1 . 2]" 1
1161 1 70 PHE QD 1 77 LEU MD2 . . 3.370 3.440 3.410 3.491 0.121 13 0 "[ . 1 . 2]" 1
1162 1 70 PHE QD 1 78 MET H . . 4.380 4.135 4.091 4.192 . 0 0 "[ . 1 . 2]" 1
1163 1 70 PHE QD 1 78 MET ME . . 3.250 3.174 3.098 3.282 0.032 9 0 "[ . 1 . 2]" 1
1164 1 70 PHE QD 1 78 MET HG2 . . 3.260 3.120 3.022 3.222 . 0 0 "[ . 1 . 2]" 1
1165 1 70 PHE QD 1 78 MET HG3 . . 3.070 2.638 2.514 2.711 . 0 0 "[ . 1 . 2]" 1
1166 1 70 PHE QD 1 79 MET HA . . 3.240 2.508 2.412 2.581 . 0 0 "[ . 1 . 2]" 1
1167 1 70 PHE QD 1 80 HIS H . . 4.140 4.328 4.266 4.376 0.236 17 0 "[ . 1 . 2]" 1
1168 1 70 PHE QE 1 78 MET ME . . 3.690 3.686 3.644 3.735 0.045 8 0 "[ . 1 . 2]" 1
1169 1 70 PHE QE 1 78 MET HG3 . . 3.920 4.038 3.998 4.089 0.169 17 0 "[ . 1 . 2]" 1
1170 1 70 PHE QE 1 81 ARG H . . 4.530 3.056 3.004 3.135 . 0 0 "[ . 1 . 2]" 1
1171 1 70 PHE QE 1 82 VAL H . . 4.920 4.620 4.456 4.900 . 0 0 "[ . 1 . 2]" 1
1172 1 70 PHE QE 1 82 VAL HA . . 4.320 3.585 3.371 3.926 . 0 0 "[ . 1 . 2]" 1
1173 1 70 PHE QE 1 82 VAL HB . . 4.660 4.751 4.688 4.786 0.126 7 0 "[ . 1 . 2]" 1
1174 1 70 PHE QE 1 82 VAL MG1 . . 4.060 3.338 2.995 3.756 . 0 0 "[ . 1 . 2]" 1
1175 1 70 PHE QE 1 82 VAL MG2 . . 2.990 2.085 2.022 2.201 . 0 0 "[ . 1 . 2]" 1
1176 1 71 HIS H 1 71 HIS HB2 . . 4.050 2.540 2.465 2.627 . 0 0 "[ . 1 . 2]" 1
1177 1 71 HIS H 1 71 HIS HD2 . . 4.840 3.368 3.155 3.506 . 0 0 "[ . 1 . 2]" 1
1178 1 71 HIS H 1 72 LEU H . . 5.310 4.325 4.294 4.355 . 0 0 "[ . 1 . 2]" 1
1179 1 71 HIS HA 1 71 HIS HD2 . . 3.880 2.529 2.450 2.659 . 0 0 "[ . 1 . 2]" 1
1180 1 71 HIS HA 1 72 LEU H . . 3.240 2.187 2.185 2.193 . 0 0 "[ . 1 . 2]" 1
1181 1 71 HIS HA 1 75 GLN H . . 4.890 3.611 3.353 3.896 . 0 0 "[ . 1 . 2]" 1
1182 1 71 HIS HA 1 76 PHE HA . . 3.710 2.271 2.071 2.505 . 0 0 "[ . 1 . 2]" 1
1183 1 71 HIS HA 1 77 LEU H . . 3.680 2.043 1.935 2.204 . 0 0 "[ . 1 . 2]" 1
1184 1 71 HIS HA 1 77 LEU HB2 . . 4.360 4.402 4.362 4.426 0.066 16 0 "[ . 1 . 2]" 1
1185 1 71 HIS HA 1 77 LEU HB3 . . 4.640 2.954 2.899 3.040 . 0 0 "[ . 1 . 2]" 1
1186 1 71 HIS HA 1 78 MET H . . 5.020 4.047 3.947 4.165 . 0 0 "[ . 1 . 2]" 1
1187 1 71 HIS HB2 1 72 LEU H . . 4.570 4.384 4.299 4.460 . 0 0 "[ . 1 . 2]" 1
1188 1 71 HIS HB2 1 75 GLN H . . 4.570 4.105 3.815 4.580 0.010 13 0 "[ . 1 . 2]" 1
1189 1 71 HIS HB3 1 72 LEU H . . 4.050 3.537 3.446 3.586 . 0 0 "[ . 1 . 2]" 1
1190 1 71 HIS HB3 1 74 GLY H . . 4.950 3.748 3.351 4.137 . 0 0 "[ . 1 . 2]" 1
1191 1 71 HIS HB3 1 75 GLN H . . 4.070 2.575 2.354 2.984 . 0 0 "[ . 1 . 2]" 1
1192 1 71 HIS HD2 1 72 LEU H . . 4.870 4.662 4.571 4.804 . 0 0 "[ . 1 . 2]" 1
1193 1 71 HIS HD2 1 76 PHE HA . . 3.390 2.036 1.971 2.203 . 0 0 "[ . 1 . 2]" 1
1194 1 71 HIS HD2 1 77 LEU H . . 4.050 2.928 2.814 3.106 . 0 0 "[ . 1 . 2]" 1
1195 1 72 LEU H 1 72 LEU HB2 . . 3.760 2.340 2.260 2.421 . 0 0 "[ . 1 . 2]" 1
1196 1 72 LEU H 1 72 LEU HB3 . . 4.100 3.066 3.000 3.113 . 0 0 "[ . 1 . 2]" 1
1197 1 72 LEU H 1 72 LEU QD . . 4.730 3.811 3.790 3.827 . 0 0 "[ . 1 . 2]" 1
1198 1 72 LEU H 1 74 GLY H . . 4.980 4.625 4.120 4.979 . 0 0 "[ . 1 . 2]" 1
1199 1 72 LEU H 1 75 GLN H . . 3.700 3.019 2.834 3.182 . 0 0 "[ . 1 . 2]" 1
1200 1 72 LEU H 1 76 PHE HA . . 5.010 3.834 3.651 4.071 . 0 0 "[ . 1 . 2]" 1
1201 1 72 LEU H 1 77 LEU H . . 4.680 2.838 2.649 3.059 . 0 0 "[ . 1 . 2]" 1
1202 1 72 LEU H 1 77 LEU HB2 . . 4.620 3.067 3.010 3.177 . 0 0 "[ . 1 . 2]" 1
1203 1 72 LEU H 1 77 LEU HB3 . . 4.550 2.298 2.140 2.393 . 0 0 "[ . 1 . 2]" 1
1204 1 72 LEU HA 1 72 LEU QD . . 2.980 2.011 1.925 2.075 . 0 0 "[ . 1 . 2]" 1
1205 1 72 LEU HA 1 72 LEU HG . . 4.190 2.723 2.662 2.784 . 0 0 "[ . 1 . 2]" 1
1206 1 72 LEU HA 1 73 ASN H . . 3.110 2.178 2.176 2.182 . 0 0 "[ . 1 . 2]" 1
1207 1 72 LEU HA 1 75 GLN H . . 5.250 4.189 4.119 4.258 . 0 0 "[ . 1 . 2]" 1
1208 1 72 LEU HB2 1 72 LEU QD . . 2.910 2.456 2.347 2.502 . 0 0 "[ . 1 . 2]" 1
1209 1 72 LEU HB2 1 73 ASN H . . 4.890 4.619 4.572 4.657 . 0 0 "[ . 1 . 2]" 1
1210 1 72 LEU HB2 1 77 LEU H . . 5.190 4.027 3.932 4.158 . 0 0 "[ . 1 . 2]" 1
1211 1 72 LEU HB2 1 77 LEU HB3 . . 4.080 2.134 2.038 2.217 . 0 0 "[ . 1 . 2]" 1
1212 1 72 LEU HB2 1 77 LEU MD2 . . 3.310 2.125 2.021 2.223 . 0 0 "[ . 1 . 2]" 1
1213 1 72 LEU HB2 1 94 LEU QD . . 4.030 3.520 3.180 3.832 . 0 0 "[ . 1 . 2]" 1
1214 1 72 LEU HB3 1 72 LEU QD . . 3.090 2.040 2.004 2.142 . 0 0 "[ . 1 . 2]" 1
1215 1 72 LEU HB3 1 73 ASN H . . 4.690 3.981 3.880 4.054 . 0 0 "[ . 1 . 2]" 1
1216 1 72 LEU HB3 1 77 LEU MD2 . . 3.620 3.610 3.535 3.662 0.042 3 0 "[ . 1 . 2]" 1
1217 1 72 LEU QD 1 73 ASN H . . 3.500 2.358 2.140 2.600 . 0 0 "[ . 1 . 2]" 1
1218 1 72 LEU QD 1 73 ASN HA . . 4.400 3.666 3.530 3.870 . 0 0 "[ . 1 . 2]" 1
1219 1 72 LEU QD 1 73 ASN HB3 . . 4.590 4.495 4.371 4.611 0.021 7 0 "[ . 1 . 2]" 1
1220 1 72 LEU QD 1 73 ASN HD21 . . 4.660 2.511 1.906 3.020 . 0 0 "[ . 1 . 2]" 1
1221 1 72 LEU QD 1 73 ASN HD22 . . 4.390 3.513 2.906 4.209 . 0 0 "[ . 1 . 2]" 1
1222 1 72 LEU QD 1 77 LEU MD2 . . 3.510 2.470 2.359 2.598 . 0 0 "[ . 1 . 2]" 1
1223 1 72 LEU QD 1 90 GLN H . . 4.890 4.195 4.029 4.365 . 0 0 "[ . 1 . 2]" 1
1224 1 72 LEU QD 1 90 GLN HA . . 4.240 4.118 4.008 4.186 . 0 0 "[ . 1 . 2]" 1
1225 1 72 LEU QD 1 90 GLN QB . . 3.190 1.899 1.776 1.991 . 0 0 "[ . 1 . 2]" 1
1226 1 72 LEU QD 1 90 GLN HG2 . . 4.160 3.829 3.165 4.137 . 0 0 "[ . 1 . 2]" 1
1227 1 72 LEU QD 1 90 GLN HG3 . . 3.660 3.122 2.710 3.923 0.263 8 0 "[ . 1 . 2]" 1
1228 1 72 LEU QD 1 91 LEU H . . 4.420 3.195 3.074 3.313 . 0 0 "[ . 1 . 2]" 1
1229 1 72 LEU QD 1 91 LEU HA . . 3.870 3.102 2.949 3.348 . 0 0 "[ . 1 . 2]" 1
1230 1 72 LEU QD 1 94 LEU QD . . 2.890 1.565 1.501 1.643 . 0 0 "[ . 1 . 2]" 1
1231 1 72 LEU HG 1 73 ASN H . . 4.640 4.540 4.389 4.655 0.015 11 0 "[ . 1 . 2]" 1
1232 1 72 LEU HG 1 77 LEU MD2 . . 4.610 2.273 1.980 2.420 . 0 0 "[ . 1 . 2]" 1
1233 1 72 LEU HG 1 94 LEU QD . . 3.620 3.476 3.335 3.594 . 0 0 "[ . 1 . 2]" 1
1234 1 73 ASN H 1 74 GLY H . . 4.080 2.636 2.449 2.769 . 0 0 "[ . 1 . 2]" 1
1235 1 73 ASN H 1 75 GLN H . . 5.480 4.088 3.972 4.199 . 0 0 "[ . 1 . 2]" 1
1236 1 73 ASN H 1 94 LEU QD . . 4.770 3.860 3.653 4.011 . 0 0 "[ . 1 . 2]" 1
1237 1 73 ASN HB2 1 73 ASN HD21 . . 3.540 2.191 2.108 2.361 . 0 0 "[ . 1 . 2]" 1
1238 1 73 ASN HB2 1 94 LEU QD . . 4.200 2.587 2.243 2.837 . 0 0 "[ . 1 . 2]" 1
1239 1 73 ASN HB3 1 73 ASN HD21 . . 3.510 3.426 3.293 3.536 0.026 13 0 "[ . 1 . 2]" 1
1240 1 73 ASN HB3 1 73 ASN HD22 . . 4.010 4.079 4.007 4.140 0.130 13 0 "[ . 1 . 2]" 1
1241 1 73 ASN HB3 1 94 LEU QD . . 4.010 3.633 3.456 3.786 . 0 0 "[ . 1 . 2]" 1
1242 1 73 ASN HD21 1 94 LEU QD . . 3.220 1.888 1.684 2.252 . 0 0 "[ . 1 . 2]" 1
1243 1 73 ASN HD22 1 94 LEU QD . . 3.570 2.467 1.902 3.173 . 0 0 "[ . 1 . 2]" 1
1244 1 74 GLY H 1 75 GLN H . . 3.870 2.723 2.484 2.888 . 0 0 "[ . 1 . 2]" 1
1245 1 75 GLN H 1 75 GLN HB2 . . 3.800 2.965 2.772 3.332 . 0 0 "[ . 1 . 2]" 1
1246 1 75 GLN H 1 75 GLN HB3 . . 3.410 3.366 3.002 3.742 0.332 9 0 "[ . 1 . 2]" 1
1247 1 76 PHE HA 1 76 PHE QD . . 3.430 2.884 2.675 3.123 . 0 0 "[ . 1 . 2]" 1
1248 1 76 PHE HA 1 77 LEU H . . 3.150 2.207 2.193 2.233 . 0 0 "[ . 1 . 2]" 1
1249 1 76 PHE HA 1 78 MET H . . 4.660 3.791 3.699 3.886 . 0 0 "[ . 1 . 2]" 1
1250 1 76 PHE HB2 1 77 LEU H . . 4.720 4.260 4.081 4.394 . 0 0 "[ . 1 . 2]" 1
1251 1 76 PHE QD 1 77 LEU H . . 4.020 3.402 3.250 3.687 . 0 0 "[ . 1 . 2]" 1
1252 1 76 PHE QD 1 78 MET HA . . 3.520 3.496 3.441 3.570 0.050 16 0 "[ . 1 . 2]" 1
1253 1 76 PHE QD 1 79 MET H . . 4.290 4.330 4.288 4.355 0.065 9 0 "[ . 1 . 2]" 1
1254 1 76 PHE QD 1 79 MET HB3 . . 3.420 3.340 3.172 3.443 0.023 3 0 "[ . 1 . 2]" 1
1255 1 76 PHE QD 1 79 MET ME . . 2.970 2.978 2.834 3.052 0.082 8 0 "[ . 1 . 2]" 1
1256 1 76 PHE QD 1 79 MET HG2 . . 3.660 3.474 3.191 3.713 0.053 18 0 "[ . 1 . 2]" 1
1257 1 76 PHE QE 1 78 MET HA . . 3.450 2.021 1.977 2.168 . 0 0 "[ . 1 . 2]" 1
1258 1 76 PHE QE 1 79 MET H . . 4.090 2.397 2.180 2.622 . 0 0 "[ . 1 . 2]" 1
1259 1 76 PHE QE 1 79 MET HB3 . . 3.610 3.341 2.904 3.682 0.072 8 0 "[ . 1 . 2]" 1
1260 1 76 PHE QE 1 79 MET ME . . 2.930 2.630 2.533 2.734 . 0 0 "[ . 1 . 2]" 1
1261 1 76 PHE QE 1 79 MET HG2 . . 3.220 1.946 1.925 1.977 . 0 0 "[ . 1 . 2]" 1
1262 1 76 PHE QE 1 79 MET HG3 . . 3.520 3.545 3.492 3.587 0.067 5 0 "[ . 1 . 2]" 1
1263 1 77 LEU H 1 77 LEU HB2 . . 3.860 3.355 3.290 3.460 . 0 0 "[ . 1 . 2]" 1
1264 1 77 LEU H 1 77 LEU HB3 . . 3.800 2.125 2.062 2.226 . 0 0 "[ . 1 . 2]" 1
1265 1 77 LEU H 1 77 LEU MD1 . . 4.790 4.295 4.237 4.327 . 0 0 "[ . 1 . 2]" 1
1266 1 77 LEU H 1 77 LEU MD2 . . 4.410 3.760 3.705 3.833 . 0 0 "[ . 1 . 2]" 1
1267 1 77 LEU H 1 78 MET H . . 3.490 2.298 2.152 2.405 . 0 0 "[ . 1 . 2]" 1
1268 1 77 LEU HA 1 77 LEU MD1 . . 3.570 2.919 2.771 2.991 . 0 0 "[ . 1 . 2]" 1
1269 1 77 LEU HB2 1 77 LEU MD1 . . 3.620 2.242 2.192 2.340 . 0 0 "[ . 1 . 2]" 1
1270 1 77 LEU HB2 1 78 MET H . . 4.190 4.215 4.185 4.244 0.054 7 0 "[ . 1 . 2]" 1
1271 1 77 LEU HB3 1 78 MET H . . 3.730 3.220 3.159 3.278 . 0 0 "[ . 1 . 2]" 1
1272 1 77 LEU MD1 1 78 MET H . . 3.840 3.806 3.698 3.871 0.031 13 0 "[ . 1 . 2]" 1
1273 1 77 LEU MD1 1 78 MET ME . . 2.740 2.716 2.587 2.761 0.021 8 0 "[ . 1 . 2]" 1
1274 1 77 LEU MD1 1 78 MET HG3 . . 4.800 4.286 4.060 4.396 . 0 0 "[ . 1 . 2]" 1
1275 1 77 LEU MD1 1 86 LYS HB3 . . 4.320 2.588 2.352 2.810 . 0 0 "[ . 1 . 2]" 1
1276 1 77 LEU MD1 1 86 LYS QE . . 3.130 2.931 1.975 3.140 0.010 16 0 "[ . 1 . 2]" 1
1277 1 77 LEU MD1 1 86 LYS HG2 . . 3.890 3.133 2.848 4.209 0.319 4 0 "[ . 1 . 2]" 1
1278 1 77 LEU MD1 1 86 LYS HG3 . . 4.180 4.120 3.651 4.221 0.041 20 0 "[ . 1 . 2]" 1
1279 1 77 LEU MD1 1 87 LEU HA . . 3.660 2.139 1.935 2.317 . 0 0 "[ . 1 . 2]" 1
1280 1 77 LEU MD1 1 90 GLN H . . 4.440 4.019 3.765 4.293 . 0 0 "[ . 1 . 2]" 1
1281 1 77 LEU MD1 1 90 GLN HE21 . . 4.990 4.628 4.309 4.873 . 0 0 "[ . 1 . 2]" 1
1282 1 77 LEU MD1 1 90 GLN HG2 . . 3.410 2.769 1.959 3.032 . 0 0 "[ . 1 . 2]" 1
1283 1 77 LEU MD1 1 90 GLN HG3 . . 3.000 2.232 1.952 3.469 0.469 13 0 "[ . 1 . 2]" 1
1284 1 77 LEU MD2 1 78 MET H . . 4.030 3.690 3.593 3.752 . 0 0 "[ . 1 . 2]" 1
1285 1 77 LEU MD2 1 78 MET ME . . 2.670 2.171 1.949 2.456 . 0 0 "[ . 1 . 2]" 1
1286 1 77 LEU MD2 1 78 MET HG2 . . 4.050 2.822 2.752 2.905 . 0 0 "[ . 1 . 2]" 1
1287 1 77 LEU MD2 1 78 MET HG3 . . 4.530 4.240 4.188 4.332 . 0 0 "[ . 1 . 2]" 1
1288 1 77 LEU MD2 1 87 LEU H . . 4.900 4.187 4.046 4.316 . 0 0 "[ . 1 . 2]" 1
1289 1 77 LEU MD2 1 87 LEU HA . . 3.410 2.639 2.467 2.739 . 0 0 "[ . 1 . 2]" 1
1290 1 77 LEU MD2 1 87 LEU HB3 . . 4.050 4.068 4.034 4.127 0.077 8 0 "[ . 1 . 2]" 1
1291 1 77 LEU MD2 1 90 GLN HG3 . . 4.480 4.170 3.915 5.420 0.940 8 2 "[ . + 1 - . 2]" 1
1292 1 77 LEU HG 1 78 MET HG3 . . 4.400 3.673 3.656 3.685 . 0 0 "[ . 1 . 2]" 1
1293 1 78 MET H 1 78 MET HG2 . . 4.080 2.787 2.706 2.894 . 0 0 "[ . 1 . 2]" 1
1294 1 78 MET H 1 78 MET HG3 . . 4.250 3.841 3.788 3.899 . 0 0 "[ . 1 . 2]" 1
1295 1 78 MET H 1 79 MET H . . 5.250 4.245 4.227 4.261 . 0 0 "[ . 1 . 2]" 1
1296 1 78 MET HA 1 79 MET H . . 3.300 2.357 2.342 2.377 . 0 0 "[ . 1 . 2]" 1
1297 1 78 MET HA 1 79 MET HG2 . . 4.810 3.566 3.455 3.744 . 0 0 "[ . 1 . 2]" 1
1298 1 78 MET HB2 1 79 MET H . . 3.450 2.897 2.859 2.948 . 0 0 "[ . 1 . 2]" 1
1299 1 78 MET HB3 1 79 MET H . . 4.120 4.146 4.133 4.180 0.060 17 0 "[ . 1 . 2]" 1
1300 1 78 MET ME 1 78 MET HG2 . . 3.090 2.354 2.318 2.369 . 0 0 "[ . 1 . 2]" 1
1301 1 78 MET ME 1 78 MET HG3 . . 3.060 2.625 2.573 2.693 . 0 0 "[ . 1 . 2]" 1
1302 1 78 MET ME 1 82 VAL HA . . 2.890 2.256 2.094 2.428 . 0 0 "[ . 1 . 2]" 1
1303 1 78 MET ME 1 82 VAL MG1 . . 2.520 1.996 1.805 2.265 . 0 0 "[ . 1 . 2]" 1
1304 1 78 MET ME 1 83 ASN H . . 3.230 2.993 2.823 3.209 . 0 0 "[ . 1 . 2]" 1
1305 1 78 MET ME 1 87 LEU H . . 3.830 3.215 3.005 3.533 . 0 0 "[ . 1 . 2]" 1
1306 1 78 MET ME 1 87 LEU HA . . 3.840 3.594 3.363 3.782 . 0 0 "[ . 1 . 2]" 1
1307 1 78 MET ME 1 87 LEU HB2 . . 3.250 2.078 1.933 2.215 . 0 0 "[ . 1 . 2]" 1
1308 1 78 MET ME 1 87 LEU HB3 . . 3.330 2.925 2.657 3.201 . 0 0 "[ . 1 . 2]" 1
1309 1 78 MET ME 1 87 LEU MD2 . . 3.140 2.930 2.622 3.077 . 0 0 "[ . 1 . 2]" 1
1310 1 78 MET HG2 1 79 MET H . . 4.870 4.543 4.507 4.593 . 0 0 "[ . 1 . 2]" 1
1311 1 78 MET HG3 1 79 MET H . . 4.730 3.673 3.528 3.774 . 0 0 "[ . 1 . 2]" 1
1312 1 78 MET HG3 1 82 VAL HA . . 4.370 3.251 2.975 3.520 . 0 0 "[ . 1 . 2]" 1
1313 1 78 MET HG3 1 83 ASN H . . 5.050 3.408 3.210 3.738 . 0 0 "[ . 1 . 2]" 1
1314 1 79 MET H 1 79 MET ME . . 4.350 4.105 4.027 4.226 . 0 0 "[ . 1 . 2]" 1
1315 1 79 MET H 1 79 MET HG2 . . 3.650 2.398 2.303 2.481 . 0 0 "[ . 1 . 2]" 1
1316 1 79 MET H 1 79 MET HG3 . . 3.890 2.896 2.778 2.988 . 0 0 "[ . 1 . 2]" 1
1317 1 79 MET H 1 80 HIS H . . 4.760 4.416 4.404 4.423 . 0 0 "[ . 1 . 2]" 1
1318 1 79 MET HA 1 80 HIS H . . 3.330 2.452 2.406 2.490 . 0 0 "[ . 1 . 2]" 1
1319 1 79 MET HA 1 81 ARG H . . 4.980 2.991 2.970 3.008 . 0 0 "[ . 1 . 2]" 1
1320 1 79 MET HB2 1 80 HIS H . . 3.920 2.589 2.496 2.696 . 0 0 "[ . 1 . 2]" 1
1321 1 79 MET HB2 1 80 HIS HD2 . . 3.620 2.413 1.961 3.277 . 0 0 "[ . 1 . 2]" 1
1322 1 79 MET HB2 1 81 ARG H . . 5.030 4.549 4.480 4.637 . 0 0 "[ . 1 . 2]" 1
1323 1 79 MET HB3 1 80 HIS H . . 4.200 3.859 3.793 3.920 . 0 0 "[ . 1 . 2]" 1
1324 1 79 MET HB3 1 80 HIS HD2 . . 4.960 4.102 3.633 4.906 . 0 0 "[ . 1 . 2]" 1
1325 1 79 MET ME 1 79 MET HG2 . . 3.720 2.163 2.132 2.198 . 0 0 "[ . 1 . 2]" 1
1326 1 79 MET ME 1 79 MET HG3 . . 3.870 2.992 2.854 3.188 . 0 0 "[ . 1 . 2]" 1
1327 1 79 MET ME 1 80 HIS HD2 . . 4.910 4.841 4.432 5.093 0.183 17 0 "[ . 1 . 2]" 1
1328 1 79 MET ME 1 80 HIS HE1 . . 3.420 3.441 3.324 3.496 0.076 15 0 "[ . 1 . 2]" 1
1329 1 79 MET HG2 1 80 HIS H . . 4.950 4.869 4.762 4.958 0.008 7 0 "[ . 1 . 2]" 1
1330 1 79 MET HG3 1 80 HIS H . . 4.970 3.889 3.667 4.066 . 0 0 "[ . 1 . 2]" 1
1331 1 79 MET HG3 1 80 HIS HB3 . . 4.850 4.701 4.509 4.849 . 0 0 "[ . 1 . 2]" 1
1332 1 79 MET HG3 1 80 HIS HD2 . . 3.870 2.934 2.575 3.277 . 0 0 "[ . 1 . 2]" 1
1333 1 79 MET HG3 1 80 HIS HE1 . . 4.000 3.270 2.938 3.755 . 0 0 "[ . 1 . 2]" 1
1334 1 80 HIS H 1 80 HIS HD2 . . 3.520 2.618 2.357 3.110 . 0 0 "[ . 1 . 2]" 1
1335 1 80 HIS H 1 81 ARG H . . 4.320 2.325 2.315 2.336 . 0 0 "[ . 1 . 2]" 1
1336 1 80 HIS HA 1 80 HIS HD2 . . 3.050 2.723 2.625 2.821 . 0 0 "[ . 1 . 2]" 1
1337 1 80 HIS HA 1 81 ARG H . . 3.260 3.201 3.194 3.215 . 0 0 "[ . 1 . 2]" 1
1338 1 80 HIS HB2 1 81 ARG H . . 3.830 3.882 3.856 3.897 0.067 12 0 "[ . 1 . 2]" 1
1339 1 81 ARG H 1 81 ARG HB2 . . 3.980 3.400 3.263 4.092 0.112 17 0 "[ . 1 . 2]" 1
1340 1 81 ARG H 1 81 ARG HB3 . . 3.730 3.875 3.785 3.940 0.210 19 0 "[ . 1 . 2]" 1
1341 1 81 ARG H 1 81 ARG HG3 . . 4.290 4.343 3.791 4.941 0.651 10 5 "[ * .- +* . *]" 1
1342 1 81 ARG H 1 82 VAL H . . 4.640 4.371 4.360 4.380 . 0 0 "[ . 1 . 2]" 1
1343 1 81 ARG H 1 82 VAL HA . . 5.170 4.537 4.528 4.548 . 0 0 "[ . 1 . 2]" 1
1344 1 81 ARG HA 1 82 VAL H . . 3.410 2.831 2.764 2.874 . 0 0 "[ . 1 . 2]" 1
1345 1 81 ARG HB2 1 81 ARG QD . . 3.730 2.536 2.020 3.194 . 0 0 "[ . 1 . 2]" 1
1346 1 81 ARG HB2 1 82 VAL H . . 3.240 3.285 1.912 3.561 0.321 19 0 "[ . 1 . 2]" 1
1347 1 81 ARG HB3 1 81 ARG QD . . 3.700 2.420 1.974 2.939 . 0 0 "[ . 1 . 2]" 1
1348 1 81 ARG HB3 1 82 VAL H . . 3.920 2.173 1.937 3.403 . 0 0 "[ . 1 . 2]" 1
1349 1 81 ARG QD 1 82 VAL H . . 4.730 3.672 2.003 4.574 . 0 0 "[ . 1 . 2]" 1
1350 1 81 ARG HG2 1 82 VAL H . . 4.270 3.179 2.540 4.318 0.048 15 0 "[ . 1 . 2]" 1
1351 1 81 ARG HG3 1 82 VAL H . . 4.790 3.833 3.443 4.237 . 0 0 "[ . 1 . 2]" 1
1352 1 82 VAL H 1 82 VAL HB . . 3.300 2.712 2.615 2.822 . 0 0 "[ . 1 . 2]" 1
1353 1 82 VAL H 1 82 VAL MG1 . . 3.920 3.877 3.801 3.927 0.007 5 0 "[ . 1 . 2]" 1
1354 1 82 VAL H 1 82 VAL MG2 . . 3.090 2.844 2.637 3.083 . 0 0 "[ . 1 . 2]" 1
1355 1 82 VAL H 1 83 ASN H . . 5.130 3.609 3.503 3.790 . 0 0 "[ . 1 . 2]" 1
1356 1 82 VAL HA 1 82 VAL MG1 . . 3.140 2.328 2.217 2.504 . 0 0 "[ . 1 . 2]" 1
1357 1 82 VAL HA 1 82 VAL MG2 . . 3.270 2.369 2.239 2.445 . 0 0 "[ . 1 . 2]" 1
1358 1 82 VAL HA 1 83 ASN H . . 3.010 2.349 2.292 2.375 . 0 0 "[ . 1 . 2]" 1
1359 1 82 VAL HB 1 83 ASN H . . 4.920 4.533 4.495 4.593 . 0 0 "[ . 1 . 2]" 1
1360 1 82 VAL MG1 1 83 ASN H . . 3.590 3.614 3.556 3.634 0.044 15 0 "[ . 1 . 2]" 1
1361 1 82 VAL MG1 1 84 THR HA . . 3.480 3.442 3.228 3.535 0.055 20 0 "[ . 1 . 2]" 1
1362 1 82 VAL MG1 1 84 THR MG . . 2.720 2.541 2.051 2.744 0.024 15 0 "[ . 1 . 2]" 1
1363 1 82 VAL MG2 1 83 ASN H . . 4.320 4.332 4.266 4.372 0.052 17 0 "[ . 1 . 2]" 1
1364 1 83 ASN H 1 83 ASN HB2 . . 3.840 2.150 2.074 2.446 . 0 0 "[ . 1 . 2]" 1
1365 1 83 ASN H 1 83 ASN HB3 . . 3.770 3.378 2.823 3.554 . 0 0 "[ . 1 . 2]" 1
1366 1 83 ASN H 1 86 LYS HB2 . . 5.260 4.611 4.445 4.773 . 0 0 "[ . 1 . 2]" 1
1367 1 83 ASN H 1 86 LYS HB3 . . 5.350 4.679 4.454 4.851 . 0 0 "[ . 1 . 2]" 1
1368 1 83 ASN HB2 1 86 LYS H . . 4.290 3.731 3.180 4.310 0.020 19 0 "[ . 1 . 2]" 1
1369 1 83 ASN HB2 1 86 LYS HB2 . . 4.010 2.887 2.465 3.550 . 0 0 "[ . 1 . 2]" 1
1370 1 83 ASN HB2 1 86 LYS HB3 . . 3.850 3.548 3.040 4.165 0.315 19 0 "[ . 1 . 2]" 1
1371 1 83 ASN HB3 1 86 LYS H . . 4.870 2.458 2.278 2.804 . 0 0 "[ . 1 . 2]" 1
1372 1 83 ASN HB3 1 86 LYS HB2 . . 4.400 2.265 2.008 2.811 . 0 0 "[ . 1 . 2]" 1
1373 1 83 ASN HB3 1 86 LYS HB3 . . 4.170 3.522 2.628 4.158 . 0 0 "[ . 1 . 2]" 1
1374 1 83 ASN HD21 1 86 LYS H . . 5.330 4.121 1.908 5.316 . 0 0 "[ . 1 . 2]" 1
1375 1 83 ASN HD21 1 86 LYS HB2 . . 5.090 3.740 3.033 4.838 . 0 0 "[ . 1 . 2]" 1
1376 1 84 THR H 1 84 THR MG . . 4.340 2.021 1.874 2.262 . 0 0 "[ . 1 . 2]" 1
1377 1 84 THR H 1 85 SER H . . 4.310 3.116 3.077 3.165 . 0 0 "[ . 1 . 2]" 1
1378 1 84 THR HA 1 84 THR MG . . 2.980 2.350 2.197 2.451 . 0 0 "[ . 1 . 2]" 1
1379 1 84 THR HA 1 86 LYS H . . 5.220 4.213 3.915 4.445 . 0 0 "[ . 1 . 2]" 1
1380 1 84 THR HA 1 87 LEU H . . 3.920 3.264 3.094 3.433 . 0 0 "[ . 1 . 2]" 1
1381 1 84 THR HA 1 87 LEU HB2 . . 3.640 3.625 3.493 3.677 0.037 8 0 "[ . 1 . 2]" 1
1382 1 84 THR HA 1 87 LEU HB3 . . 3.320 2.151 2.050 2.221 . 0 0 "[ . 1 . 2]" 1
1383 1 84 THR HA 1 87 LEU MD2 . . 3.780 2.803 2.637 2.968 . 0 0 "[ . 1 . 2]" 1
1384 1 84 THR HA 1 88 GLU H . . 4.270 3.324 3.189 3.462 . 0 0 "[ . 1 . 2]" 1
1385 1 84 THR MG 1 85 SER H . . 4.920 3.877 3.700 4.043 . 0 0 "[ . 1 . 2]" 1
1386 1 84 THR MG 1 87 LEU MD2 . . 3.510 3.165 2.783 3.524 0.014 3 0 "[ . 1 . 2]" 1
1387 1 85 SER H 1 85 SER QB . . 3.270 2.121 2.029 2.341 . 0 0 "[ . 1 . 2]" 1
1388 1 85 SER H 1 86 LYS H . . 3.460 3.020 2.982 3.066 . 0 0 "[ . 1 . 2]" 1
1389 1 85 SER H 1 86 LYS HB2 . . 4.950 4.961 4.938 4.989 0.039 11 0 "[ . 1 . 2]" 1
1390 1 85 SER H 1 87 LEU H . . 4.790 4.655 4.422 4.758 . 0 0 "[ . 1 . 2]" 1
1391 1 85 SER HA 1 88 GLU H . . 4.400 4.201 3.963 4.345 . 0 0 "[ . 1 . 2]" 1
1392 1 85 SER HA 1 88 GLU HB2 . . 3.810 3.294 3.138 3.405 . 0 0 "[ . 1 . 2]" 1
1393 1 85 SER HA 1 89 LYS H . . 4.760 4.038 3.931 4.161 . 0 0 "[ . 1 . 2]" 1
1394 1 85 SER QB 1 86 LYS H . . 3.140 2.586 2.417 2.790 . 0 0 "[ . 1 . 2]" 1
1395 1 85 SER QB 1 86 LYS HB2 . . 4.200 3.845 3.727 3.943 . 0 0 "[ . 1 . 2]" 1
1396 1 86 LYS H 1 86 LYS HB2 . . 3.290 2.092 2.060 2.124 . 0 0 "[ . 1 . 2]" 1
1397 1 86 LYS H 1 86 LYS HB3 . . 3.380 2.973 2.931 3.013 . 0 0 "[ . 1 . 2]" 1
1398 1 86 LYS H 1 86 LYS HG2 . . 4.590 4.503 4.019 4.628 0.038 13 0 "[ . 1 . 2]" 1
1399 1 86 LYS H 1 86 LYS HG3 . . 4.020 4.083 3.983 4.355 0.335 3 0 "[ . 1 . 2]" 1
1400 1 86 LYS H 1 87 LEU H . . 3.450 2.759 2.663 2.872 . 0 0 "[ . 1 . 2]" 1
1401 1 86 LYS H 1 88 GLU H . . 4.810 4.498 4.265 4.637 . 0 0 "[ . 1 . 2]" 1
1402 1 86 LYS H 1 89 LYS H . . 5.030 4.696 4.633 4.824 . 0 0 "[ . 1 . 2]" 1
1403 1 86 LYS HA 1 86 LYS HG2 . . 3.700 2.894 2.003 3.169 . 0 0 "[ . 1 . 2]" 1
1404 1 86 LYS HA 1 86 LYS HG3 . . 3.410 2.245 1.963 3.434 0.024 4 0 "[ . 1 . 2]" 1
1405 1 86 LYS HA 1 88 GLU H . . 5.020 4.997 4.908 5.034 0.014 9 0 "[ . 1 . 2]" 1
1406 1 86 LYS HA 1 89 LYS H . . 3.630 3.594 3.495 3.651 0.021 6 0 "[ . 1 . 2]" 1
1407 1 86 LYS HA 1 89 LYS HB2 . . 3.140 2.989 2.629 3.152 0.012 15 0 "[ . 1 . 2]" 1
1408 1 86 LYS HB2 1 87 LEU H . . 4.020 3.300 3.234 3.393 . 0 0 "[ . 1 . 2]" 1
1409 1 86 LYS HB3 1 87 LEU H . . 3.790 2.420 2.336 2.640 . 0 0 "[ . 1 . 2]" 1
1410 1 86 LYS QD 1 86 LYS QE . . 2.500 2.077 2.057 2.096 . 0 0 "[ . 1 . 2]" 1
1411 1 86 LYS QE 1 86 LYS HG2 . . 2.820 2.218 1.987 3.219 0.399 4 0 "[ . 1 . 2]" 1
1412 1 86 LYS QE 1 86 LYS HG3 . . 3.500 3.127 1.992 3.327 . 0 0 "[ . 1 . 2]" 1
1413 1 86 LYS HG2 1 87 LEU H . . 5.030 4.529 4.345 4.818 . 0 0 "[ . 1 . 2]" 1
1414 1 87 LEU H 1 87 LEU HB2 . . 3.460 2.673 2.574 2.773 . 0 0 "[ . 1 . 2]" 1
1415 1 87 LEU H 1 87 LEU HB3 . . 3.190 2.240 2.144 2.333 . 0 0 "[ . 1 . 2]" 1
1416 1 87 LEU H 1 87 LEU MD1 . . 4.170 4.172 4.116 4.207 0.037 6 0 "[ . 1 . 2]" 1
1417 1 87 LEU H 1 87 LEU MD2 . . 4.300 4.143 4.088 4.209 . 0 0 "[ . 1 . 2]" 1
1418 1 87 LEU H 1 88 GLU H . . 3.600 3.166 3.037 3.241 . 0 0 "[ . 1 . 2]" 1
1419 1 87 LEU H 1 89 LYS H . . 4.610 4.427 4.295 4.575 . 0 0 "[ . 1 . 2]" 1
1420 1 87 LEU HA 1 87 LEU MD2 . . 3.980 3.967 3.903 4.010 0.030 5 0 "[ . 1 . 2]" 1
1421 1 87 LEU HA 1 87 LEU HG . . 3.520 3.410 3.258 3.529 0.009 2 0 "[ . 1 . 2]" 1
1422 1 87 LEU HA 1 90 GLN H . . 4.210 3.518 3.368 3.734 . 0 0 "[ . 1 . 2]" 1
1423 1 87 LEU HA 1 90 GLN QB . . 3.710 2.810 2.617 3.227 . 0 0 "[ . 1 . 2]" 1
1424 1 87 LEU HB2 1 87 LEU MD1 . . 3.480 2.439 2.344 2.519 . 0 0 "[ . 1 . 2]" 1
1425 1 87 LEU HB2 1 87 LEU MD2 . . 3.090 2.466 2.307 2.547 . 0 0 "[ . 1 . 2]" 1
1426 1 87 LEU HB2 1 88 GLU H . . 3.870 3.861 3.817 3.907 0.037 15 0 "[ . 1 . 2]" 1
1427 1 87 LEU HB3 1 87 LEU MD1 . . 3.460 3.218 3.207 3.223 . 0 0 "[ . 1 . 2]" 1
1428 1 87 LEU HB3 1 87 LEU MD2 . . 3.280 2.258 2.150 2.426 . 0 0 "[ . 1 . 2]" 1
1429 1 87 LEU HB3 1 88 GLU H . . 3.540 2.476 2.377 2.560 . 0 0 "[ . 1 . 2]" 1
1430 1 87 LEU MD1 1 88 GLU H . . 4.670 3.853 3.595 4.093 . 0 0 "[ . 1 . 2]" 1
1431 1 87 LEU MD1 1 91 LEU H . . 4.140 3.222 2.951 3.576 . 0 0 "[ . 1 . 2]" 1
1432 1 87 LEU MD1 1 91 LEU MD1 . . 3.200 1.964 1.840 2.236 . 0 0 "[ . 1 . 2]" 1
1433 1 87 LEU MD1 1 91 LEU MD2 . . 3.290 2.690 2.395 2.862 . 0 0 "[ . 1 . 2]" 1
1434 1 87 LEU MD1 1 91 LEU HG . . 3.160 2.042 1.823 2.289 . 0 0 "[ . 1 . 2]" 1
1435 1 87 LEU MD2 1 88 GLU H . . 4.410 3.611 3.389 3.765 . 0 0 "[ . 1 . 2]" 1
1436 1 87 LEU MD2 1 88 GLU HA . . 4.560 4.403 4.197 4.533 . 0 0 "[ . 1 . 2]" 1
1437 1 87 LEU MD2 1 91 LEU MD1 . . 3.600 2.658 2.293 2.966 . 0 0 "[ . 1 . 2]" 1
1438 1 87 LEU MD2 1 91 LEU MD2 . . 4.230 4.235 4.163 4.269 0.039 16 0 "[ . 1 . 2]" 1
1439 1 87 LEU HG 1 88 GLU H . . 4.340 2.614 2.434 2.878 . 0 0 "[ . 1 . 2]" 1
1440 1 87 LEU HG 1 88 GLU HA . . 4.020 3.007 2.947 3.121 . 0 0 "[ . 1 . 2]" 1
1441 1 87 LEU HG 1 91 LEU H . . 5.160 4.298 4.019 4.706 . 0 0 "[ . 1 . 2]" 1
1442 1 87 LEU HG 1 91 LEU MD1 . . 3.150 1.999 1.937 2.235 . 0 0 "[ . 1 . 2]" 1
1443 1 88 GLU H 1 88 GLU HB2 . . 3.370 2.795 2.714 2.830 . 0 0 "[ . 1 . 2]" 1
1444 1 88 GLU H 1 88 GLU HB3 . . 3.590 3.529 3.520 3.545 . 0 0 "[ . 1 . 2]" 1
1445 1 88 GLU H 1 88 GLU HG2 . . 3.800 2.052 1.944 2.320 . 0 0 "[ . 1 . 2]" 1
1446 1 88 GLU H 1 88 GLU HG3 . . 3.810 2.261 2.066 2.391 . 0 0 "[ . 1 . 2]" 1
1447 1 88 GLU H 1 89 LYS H . . 3.600 3.051 2.997 3.122 . 0 0 "[ . 1 . 2]" 1
1448 1 88 GLU HA 1 88 GLU HG2 . . 3.810 2.518 2.431 2.543 . 0 0 "[ . 1 . 2]" 1
1449 1 88 GLU HA 1 88 GLU HG3 . . 3.530 3.641 3.530 3.700 0.170 10 0 "[ . 1 . 2]" 1
1450 1 88 GLU HA 1 91 LEU H . . 4.220 3.396 3.188 3.546 . 0 0 "[ . 1 . 2]" 1
1451 1 88 GLU HA 1 91 LEU HB2 . . 4.000 2.327 2.167 2.492 . 0 0 "[ . 1 . 2]" 1
1452 1 88 GLU HA 1 91 LEU HB3 . . 3.710 3.874 3.699 4.025 0.315 13 0 "[ . 1 . 2]" 1
1453 1 88 GLU HA 1 91 LEU MD1 . . 3.380 2.165 1.931 2.666 . 0 0 "[ . 1 . 2]" 1
1454 1 88 GLU HA 1 91 LEU HG . . 4.560 3.608 3.092 3.991 . 0 0 "[ . 1 . 2]" 1
1455 1 88 GLU HA 1 92 ARG H . . 4.740 3.971 3.655 4.627 . 0 0 "[ . 1 . 2]" 1
1456 1 88 GLU HB2 1 89 LYS H . . 3.740 2.380 2.279 2.478 . 0 0 "[ . 1 . 2]" 1
1457 1 88 GLU HB2 1 89 LYS HA . . 4.430 3.996 3.959 4.054 . 0 0 "[ . 1 . 2]" 1
1458 1 88 GLU HB3 1 89 LYS H . . 3.710 3.672 3.579 3.736 0.026 19 0 "[ . 1 . 2]" 1
1459 1 88 GLU HB3 1 89 LYS HA . . 4.660 4.582 4.541 4.622 . 0 0 "[ . 1 . 2]" 1
1460 1 88 GLU HG2 1 89 LYS H . . 4.810 4.428 4.353 4.590 . 0 0 "[ . 1 . 2]" 1
1461 1 88 GLU HG3 1 89 LYS H . . 4.620 3.977 3.852 4.102 . 0 0 "[ . 1 . 2]" 1
1462 1 89 LYS H 1 89 LYS HB2 . . 3.070 2.150 2.096 2.249 . 0 0 "[ . 1 . 2]" 1
1463 1 89 LYS H 1 89 LYS HB3 . . 3.040 2.842 2.694 2.963 . 0 0 "[ . 1 . 2]" 1
1464 1 89 LYS H 1 89 LYS HG3 . . 4.560 4.398 4.337 4.467 . 0 0 "[ . 1 . 2]" 1
1465 1 89 LYS H 1 90 GLN HE21 . . 5.220 5.104 4.622 5.341 0.121 8 0 "[ . 1 . 2]" 1
1466 1 89 LYS HA 1 89 LYS HB2 . . 2.770 2.612 2.546 2.652 . 0 0 "[ . 1 . 2]" 1
1467 1 89 LYS HA 1 89 LYS HB3 . . 3.030 3.010 2.996 3.027 . 0 0 "[ . 1 . 2]" 1
1468 1 89 LYS HA 1 89 LYS QD . . 3.700 3.070 2.722 3.315 . 0 0 "[ . 1 . 2]" 1
1469 1 89 LYS HA 1 89 LYS HG2 . . 3.680 2.177 2.116 2.294 . 0 0 "[ . 1 . 2]" 1
1470 1 89 LYS HA 1 92 ARG H . . 4.260 3.872 3.457 4.098 . 0 0 "[ . 1 . 2]" 1
1471 1 89 LYS HA 1 92 ARG QB . . 3.670 3.137 2.444 3.610 . 0 0 "[ . 1 . 2]" 1
1472 1 89 LYS HA 1 92 ARG QD . . 4.020 3.045 2.029 3.798 . 0 0 "[ . 1 . 2]" 1
1473 1 89 LYS HA 1 93 LYS H . . 4.840 4.686 4.008 4.858 0.018 5 0 "[ . 1 . 2]" 1
1474 1 89 LYS QD 1 90 GLN HA . . 3.300 3.165 2.967 3.298 . 0 0 "[ . 1 . 2]" 1
1475 1 89 LYS QD 1 90 GLN HE21 . . 4.060 2.102 1.935 2.366 . 0 0 "[ . 1 . 2]" 1
1476 1 89 LYS QD 1 90 GLN HE22 . . 4.850 2.808 2.324 3.222 . 0 0 "[ . 1 . 2]" 1
1477 1 89 LYS QD 1 93 LYS H . . 4.590 4.213 3.197 4.568 . 0 0 "[ . 1 . 2]" 1
1478 1 89 LYS QE 1 89 LYS HG2 . . 3.830 2.761 2.060 3.328 . 0 0 "[ . 1 . 2]" 1
1479 1 89 LYS QE 1 89 LYS HG3 . . 3.720 2.273 1.953 3.150 . 0 0 "[ . 1 . 2]" 1
1480 1 90 GLN H 1 90 GLN QB . . 2.990 2.372 2.244 2.461 . 0 0 "[ . 1 . 2]" 1
1481 1 90 GLN H 1 90 GLN HG2 . . 3.600 2.369 2.022 3.862 0.262 13 0 "[ . 1 . 2]" 1
1482 1 90 GLN H 1 90 GLN HG3 . . 4.010 3.605 3.485 3.736 . 0 0 "[ . 1 . 2]" 1
1483 1 90 GLN H 1 91 LEU H . . 3.330 2.823 2.637 2.944 . 0 0 "[ . 1 . 2]" 1
1484 1 90 GLN HA 1 90 GLN QB . . 2.740 2.433 2.402 2.496 . 0 0 "[ . 1 . 2]" 1
1485 1 90 GLN HA 1 90 GLN HE21 . . 5.390 2.418 2.191 2.735 . 0 0 "[ . 1 . 2]" 1
1486 1 90 GLN HA 1 90 GLN HG2 . . 3.840 3.075 2.957 3.588 . 0 0 "[ . 1 . 2]" 1
1487 1 90 GLN HA 1 90 GLN HG3 . . 3.930 3.552 2.303 3.733 . 0 0 "[ . 1 . 2]" 1
1488 1 90 GLN HA 1 93 LYS H . . 3.580 3.433 2.760 3.590 0.010 12 0 "[ . 1 . 2]" 1
1489 1 90 GLN QB 1 90 GLN HE22 . . 4.970 4.199 4.086 4.290 . 0 0 "[ . 1 . 2]" 1
1490 1 90 GLN QB 1 91 LEU H . . 3.070 2.381 2.287 2.545 . 0 0 "[ . 1 . 2]" 1
1491 1 90 GLN HE22 1 94 LEU QD . . 5.230 4.752 3.783 6.071 0.841 13 2 "[ . - 1 + . 2]" 1
1492 1 90 GLN HG3 1 91 LEU H . . 5.140 4.858 4.750 4.994 . 0 0 "[ . 1 . 2]" 1
1493 1 91 LEU H 1 91 LEU HB2 . . 3.550 2.351 2.234 2.455 . 0 0 "[ . 1 . 2]" 1
1494 1 91 LEU H 1 91 LEU HB3 . . 3.740 3.528 3.492 3.542 . 0 0 "[ . 1 . 2]" 1
1495 1 91 LEU H 1 91 LEU MD1 . . 4.080 3.410 3.198 3.592 . 0 0 "[ . 1 . 2]" 1
1496 1 91 LEU H 1 91 LEU MD2 . . 3.740 3.660 3.260 3.756 0.016 4 0 "[ . 1 . 2]" 1
1497 1 91 LEU H 1 92 ARG H . . 3.480 3.081 2.651 3.180 . 0 0 "[ . 1 . 2]" 1
1498 1 91 LEU H 1 93 LYS H . . 4.810 4.550 4.043 4.785 . 0 0 "[ . 1 . 2]" 1
1499 1 91 LEU H 1 94 LEU QD . . 3.900 3.739 3.237 3.856 . 0 0 "[ . 1 . 2]" 1
1500 1 91 LEU HA 1 91 LEU MD1 . . 4.060 3.841 3.812 3.883 . 0 0 "[ . 1 . 2]" 1
1501 1 91 LEU HA 1 91 LEU MD2 . . 2.770 2.180 1.956 2.446 . 0 0 "[ . 1 . 2]" 1
1502 1 91 LEU HA 1 91 LEU HG . . 3.260 2.732 2.637 2.975 . 0 0 "[ . 1 . 2]" 1
1503 1 91 LEU HA 1 94 LEU HB2 . . 4.150 3.395 2.902 4.099 . 0 0 "[ . 1 . 2]" 1
1504 1 91 LEU HA 1 94 LEU QD . . 3.730 2.669 2.309 3.070 . 0 0 "[ . 1 . 2]" 1
1505 1 91 LEU HB2 1 91 LEU MD1 . . 3.380 2.234 2.138 2.332 . 0 0 "[ . 1 . 2]" 1
1506 1 91 LEU HB2 1 92 ARG H . . 3.940 2.554 2.405 2.903 . 0 0 "[ . 1 . 2]" 1
1507 1 91 LEU HB3 1 91 LEU MD1 . . 3.350 2.502 2.386 2.582 . 0 0 "[ . 1 . 2]" 1
1508 1 91 LEU HB3 1 91 LEU MD2 . . 3.150 2.271 2.125 2.395 . 0 0 "[ . 1 . 2]" 1
1509 1 91 LEU HB3 1 92 ARG H . . 4.100 3.231 3.043 3.806 . 0 0 "[ . 1 . 2]" 1
1510 1 91 LEU MD1 1 92 ARG H . . 4.680 4.373 4.224 4.704 0.024 19 0 "[ . 1 . 2]" 1
1511 1 91 LEU MD2 1 92 ARG H . . 4.720 4.658 4.563 4.793 0.073 7 0 "[ . 1 . 2]" 1
1512 1 92 ARG H 1 92 ARG QB . . 2.970 2.312 2.002 2.592 . 0 0 "[ . 1 . 2]" 1
1513 1 92 ARG H 1 92 ARG QD . . 4.860 3.841 2.729 4.338 . 0 0 "[ . 1 . 2]" 1
1514 1 92 ARG H 1 92 ARG HG2 . . 3.710 3.447 2.549 3.959 0.249 10 0 "[ . 1 . 2]" 1
1515 1 92 ARG H 1 92 ARG HG3 . . 3.990 2.750 2.202 4.250 0.260 7 0 "[ . 1 . 2]" 1
1516 1 92 ARG H 1 93 LYS H . . 3.540 3.030 2.211 3.208 . 0 0 "[ . 1 . 2]" 1
1517 1 92 ARG HA 1 92 ARG QD . . 4.080 3.976 3.602 4.258 0.178 16 0 "[ . 1 . 2]" 1
1518 1 92 ARG HA 1 92 ARG HG2 . . 3.670 2.639 2.178 3.768 0.098 7 0 "[ . 1 . 2]" 1
1519 1 92 ARG HA 1 92 ARG HG3 . . 3.320 2.882 2.197 3.423 0.103 16 0 "[ . 1 . 2]" 1
1520 1 92 ARG QB 1 93 LYS H . . 3.740 2.482 2.148 3.349 . 0 0 "[ . 1 . 2]" 1
1521 1 92 ARG QD 1 92 ARG HG3 . . 2.730 2.295 2.185 2.555 . 0 0 "[ . 1 . 2]" 1
1522 1 93 LYS H 1 93 LYS QB . . 2.950 2.417 2.006 2.893 . 0 0 "[ . 1 . 2]" 1
1523 1 93 LYS H 1 93 LYS HG2 . . 4.200 3.537 2.591 4.139 . 0 0 "[ . 1 . 2]" 1
1524 1 93 LYS H 1 93 LYS HG3 . . 4.080 3.821 3.304 4.313 0.233 16 0 "[ . 1 . 2]" 1
1525 1 93 LYS H 1 94 LEU QD . . 5.160 4.622 4.414 4.730 . 0 0 "[ . 1 . 2]" 1
1526 1 93 LYS HA 1 93 LYS QB . . 2.680 2.392 2.151 2.529 . 0 0 "[ . 1 . 2]" 1
1527 1 93 LYS HA 1 93 LYS HG2 . . 3.620 2.577 1.985 3.720 0.100 16 0 "[ . 1 . 2]" 1
1528 1 93 LYS HA 1 93 LYS HG3 . . 3.620 3.329 2.700 3.640 0.020 9 0 "[ . 1 . 2]" 1
1529 1 93 LYS HA 1 95 SER H . . 4.580 4.368 3.603 4.581 0.001 13 0 "[ . 1 . 2]" 1
1530 1 93 LYS QB 1 93 LYS HE2 . . 4.160 3.515 2.257 4.296 0.136 1 0 "[ . 1 . 2]" 1
1531 1 93 LYS HE2 1 93 LYS HG2 . . 3.710 2.888 2.022 3.599 . 0 0 "[ . 1 . 2]" 1
1532 1 93 LYS HE2 1 93 LYS HG3 . . 3.920 3.161 2.149 4.115 0.195 14 0 "[ . 1 . 2]" 1
1533 1 93 LYS HG2 1 94 LEU H . . 4.990 4.462 4.038 4.947 . 0 0 "[ . 1 . 2]" 1
1534 1 94 LEU H 1 94 LEU HB2 . . 3.420 3.003 2.491 3.306 . 0 0 "[ . 1 . 2]" 1
1535 1 94 LEU H 1 95 SER H . . 3.350 2.582 2.167 3.540 0.190 7 0 "[ . 1 . 2]" 1
1536 1 94 LEU HA 1 94 LEU QD . . 2.610 2.008 1.916 2.243 . 0 0 "[ . 1 . 2]" 1
1537 1 94 LEU HA 1 94 LEU HG . . 3.870 2.804 2.604 3.079 . 0 0 "[ . 1 . 2]" 1
1538 1 94 LEU HB2 1 94 LEU QD . . 3.090 2.227 2.066 2.443 . 0 0 "[ . 1 . 2]" 1
1539 1 94 LEU HB2 1 95 SER H . . 3.810 3.072 2.504 3.523 . 0 0 "[ . 1 . 2]" 1
1540 1 94 LEU HB3 1 94 LEU QD . . 2.810 2.181 2.020 2.390 . 0 0 "[ . 1 . 2]" 1
1541 1 94 LEU HB3 1 95 SER H . . 4.270 2.523 2.133 3.613 . 0 0 "[ . 1 . 2]" 1
1542 1 94 LEU QD 1 95 SER H . . 4.480 3.875 3.659 4.040 . 0 0 "[ . 1 . 2]" 1
1543 1 95 SER H 1 95 SER QB . . 3.340 2.789 2.087 3.293 . 0 0 "[ . 1 . 2]" 1
1544 1 95 SER QB 1 96 GLY H . . 4.240 3.167 2.284 4.071 . 0 0 "[ . 1 . 2]" 1
1545 1 96 GLY H 1 97 PRO QD . . 4.860 4.181 3.855 4.332 . 0 0 "[ . 1 . 2]" 1
1546 1 96 GLY HA2 1 97 PRO QD . . 3.070 2.190 1.854 2.849 . 0 0 "[ . 1 . 2]" 1
1547 1 96 GLY HA3 1 97 PRO QD . . 2.740 2.404 1.926 2.932 0.192 16 0 "[ . 1 . 2]" 1
1548 1 96 GLY HA3 1 97 PRO QG . . 4.310 4.342 3.872 4.837 0.527 16 1 "[ . 1 .+ 2]" 1
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