NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
618445 |
5kgq   |
26025 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_5kgq
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 1900
_Distance_constraint_stats_list.Viol_count 3625
_Distance_constraint_stats_list.Viol_total 10395.933
_Distance_constraint_stats_list.Viol_max 1.233
_Distance_constraint_stats_list.Viol_rms 0.0620
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0137
_Distance_constraint_stats_list.Viol_average_violations_only 0.1434
_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 7 MET 0.715 0.375 4 0 "[ . 1 . 2]"
1 8 VAL 14.713 0.518 12 2 "[ . 1 +- . 2]"
1 9 LYS 12.321 0.862 11 4 "[ *. 1+*- . 2]"
1 10 ILE 22.673 0.836 3 4 "[ + . -* 1 * 2]"
1 11 SER 0.243 0.243 15 0 "[ . 1 . 2]"
1 12 HIS 8.617 0.621 7 1 "[ . + 1 . 2]"
1 13 GLU 1.838 0.182 9 0 "[ . 1 . 2]"
1 14 ASP 7.842 0.836 3 3 "[ + . - 1 * 2]"
1 15 THR 5.244 0.386 9 0 "[ . 1 . 2]"
1 16 GLN 11.805 0.606 19 1 "[ . 1 . +2]"
1 17 ARG 9.128 0.290 8 0 "[ . 1 . 2]"
1 18 ILE 14.583 0.283 17 0 "[ . 1 . 2]"
1 19 LYS 11.213 0.771 20 3 "[ - * 1 . +]"
1 20 THR 25.359 0.601 5 1 "[ + 1 . 2]"
1 21 ALA 12.680 0.283 17 0 "[ . 1 . 2]"
1 22 PHE 34.846 0.834 5 3 "[ -+ 1 * 2]"
1 23 LEU 19.093 0.887 16 5 "[ ** 1 - *+ 2]"
1 24 SER 6.106 0.290 18 0 "[ . 1 . 2]"
1 25 TYR 18.034 0.747 4 1 "[ +. 1 . 2]"
1 26 ALA 6.313 0.292 2 0 "[ . 1 . 2]"
1 27 GLN 13.881 0.430 19 0 "[ . 1 . 2]"
1 28 GLY 6.132 0.217 6 0 "[ . 1 . 2]"
1 29 GLN 14.758 0.653 19 1 "[ . 1 . +2]"
1 30 ASP 9.346 0.887 16 7 "[* . -*1 **.+ * 2]"
1 31 LYS 12.299 0.759 1 5 "[+ . -*1 *. * 2]"
1 32 VAL 21.221 0.486 14 0 "[ . 1 . 2]"
1 33 THR 1.392 0.108 2 0 "[ . 1 . 2]"
1 34 GLU 0.865 0.284 13 0 "[ . 1 . 2]"
1 35 ALA 12.305 0.742 5 2 "[ + 1 - 2]"
1 36 MET 14.091 0.312 19 0 "[ . 1 . 2]"
1 37 ILE 42.593 0.742 5 2 "[ + 1 - 2]"
1 38 ASP 0.068 0.039 13 0 "[ . 1 . 2]"
1 39 GLN 21.868 0.777 14 8 "[* * * 1** +- * 2]"
1 40 LEU 33.006 0.774 15 8 "[* * * 1** *+ * 2]"
1 41 ILE 10.688 0.391 9 0 "[ . 1 . 2]"
1 42 CYS 3.981 0.908 5 2 "[ + -1 . 2]"
1 43 GLY 2.495 0.144 20 0 "[ . 1 . 2]"
1 44 ALA 8.926 0.649 8 1 "[ . + 1 . 2]"
1 45 PHE 16.061 0.565 16 1 "[ . 1 .+ 2]"
1 46 PRO 9.789 0.908 5 3 "[ + *1 .- 2]"
1 47 GLY 0.673 0.168 5 0 "[ . 1 . 2]"
1 48 LEU 1.860 0.168 5 0 "[ . 1 . 2]"
1 49 SER 2.226 0.259 4 0 "[ . 1 . 2]"
1 50 TRP 4.304 0.343 5 0 "[ . 1 . 2]"
1 51 GLU 0.987 0.067 19 0 "[ . 1 . 2]"
1 52 GLN 2.403 0.352 14 0 "[ . 1 . 2]"
1 53 LEU 11.198 0.292 2 0 "[ . 1 . 2]"
1 54 GLN 8.505 0.343 5 0 "[ . 1 . 2]"
1 55 GLU 1.798 0.821 20 1 "[ . 1 . +]"
1 56 LYS 3.642 0.352 14 0 "[ . 1 . 2]"
1 57 LYS 7.887 0.236 11 0 "[ . 1 . 2]"
1 58 LYS 6.430 0.735 7 4 "[ . +* 1 * .- 2]"
1 59 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 60 ARG 5.724 0.859 18 2 "[ . 1- . + 2]"
1 61 ALA 10.497 0.486 14 0 "[ . 1 . 2]"
1 62 ALA 3.539 0.234 8 0 "[ . 1 . 2]"
1 63 ALA 0.940 0.193 10 0 "[ . 1 . 2]"
1 64 ASN 7.529 0.423 15 0 "[ . 1 . 2]"
1 65 GLY 6.076 0.423 15 0 "[ . 1 . 2]"
1 66 TYR 26.455 0.415 12 0 "[ . 1 . 2]"
1 67 ASP 7.644 0.859 18 1 "[ . 1 . + 2]"
1 68 ARG 28.182 0.887 16 5 "[ ** 1 - *+ 2]"
1 69 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 70 ALA 6.166 0.305 18 0 "[ . 1 . 2]"
1 71 PHE 4.467 0.163 20 0 "[ . 1 . 2]"
1 72 PHE 8.085 0.386 9 0 "[ . 1 . 2]"
1 73 SER 5.618 0.616 16 5 "[ - . 1 * *.+ *2]"
1 74 LEU 3.008 0.300 15 0 "[ . 1 . 2]"
1 75 VAL 23.493 0.777 14 9 "[* - * 1** +* **2]"
1 76 ALA 0.116 0.060 19 0 "[ . 1 . 2]"
1 77 SER 1.153 0.279 13 0 "[ . 1 . 2]"
1 78 ASP 3.258 0.162 4 0 "[ . 1 . 2]"
1 79 GLU 30.617 1.233 9 16 "[*** * *-+*****.*** *]"
1 80 GLN 16.700 0.649 8 1 "[ . + 1 . 2]"
1 81 TYR 23.921 0.300 15 0 "[ . 1 . 2]"
1 82 VAL 54.337 1.233 9 18 "[-** * **+***********]"
1 83 ARG 14.221 0.679 15 2 "[ . - 1 + 2]"
1 84 PHE 8.181 0.320 15 0 "[ . 1 . 2]"
1 85 ILE 17.185 0.318 15 0 "[ . 1 . 2]"
1 86 ALA 7.439 0.336 4 0 "[ . 1 . 2]"
1 87 GLN 1.582 0.101 13 0 "[ . 1 . 2]"
1 88 HIS 2.623 0.193 15 0 "[ . 1 . 2]"
1 89 PHE 3.350 0.135 18 0 "[ . 1 . 2]"
1 90 PRO 2.079 0.143 6 0 "[ . 1 . 2]"
1 91 CYS 10.745 0.387 11 0 "[ . 1 . 2]"
1 92 ALA 8.413 0.409 8 0 "[ . 1 . 2]"
1 93 PRO 5.589 0.210 18 0 "[ . 1 . 2]"
1 94 GLU 6.987 0.552 1 1 "[+ . 1 . 2]"
1 95 GLU 8.231 0.383 6 0 "[ . 1 . 2]"
1 96 GLU 0.412 0.094 13 0 "[ . 1 . 2]"
1 97 LYS 1.181 0.256 8 0 "[ . 1 . 2]"
1 99 PRO 2.503 0.517 15 1 "[ . 1 + 2]"
1 100 GLU 10.811 0.555 15 2 "[ . 1 + * 2]"
1 101 ILE 8.338 0.775 20 4 "[ . 1 * *-+]"
1 102 ASP 8.392 1.131 10 1 "[ . + . 2]"
1 103 ALA 20.942 1.131 10 5 "[ . * + * . -*]"
1 104 LEU 17.092 0.742 13 5 "[ * . * 1* + . -2]"
1 105 GLU 3.737 0.606 19 1 "[ . 1 . +2]"
1 106 LEU 2.820 0.606 19 1 "[ . 1 . +2]"
1 107 LYS 1.976 0.606 19 1 "[ . 1 . +2]"
1 109 GLN 3.199 0.466 6 0 "[ . 1 . 2]"
1 110 LYS 2.418 0.700 12 1 "[ . 1 + . 2]"
1 111 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 112 PHE 0.700 0.700 12 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 26 ALA MB 1 32 VAL MG2 1.689 . 2.046 1.795 1.708 1.878 . 0 0 "[ . 1 . 2]" 1
2 1 41 ILE MD 1 41 ILE MG 1.885 . 2.329 1.909 1.860 1.942 . 0 0 "[ . 1 . 2]" 1
3 1 26 ALA MB 1 32 VAL MG1 1.834 . 2.254 1.804 1.696 2.288 0.034 15 0 "[ . 1 . 2]" 1
4 1 37 ILE MD 1 37 ILE MG 2.210 . 2.821 2.769 2.616 2.914 0.093 13 0 "[ . 1 . 2]" 1
5 1 19 LYS HD2 1 19 LYS QE 1.884 . 2.328 2.232 2.129 2.371 0.043 20 0 "[ . 1 . 2]" 1
6 1 18 ILE MG 1 85 ILE MD 1.935 . 2.403 2.009 1.914 2.180 . 0 0 "[ . 1 . 2]" 1
7 1 57 LYS HA 1 57 LYS HB3 1.926 . 2.389 2.241 2.218 2.373 . 0 0 "[ . 1 . 2]" 1
8 1 35 ALA HA 1 35 ALA MB 2.143 . 2.717 2.128 2.122 2.132 . 0 0 "[ . 1 . 2]" 1
9 1 37 ILE HB 1 37 ILE MG 1.945 . 2.418 2.120 2.111 2.127 . 0 0 "[ . 1 . 2]" 1
10 1 9 LYS HE3 1 9 LYS QG 1.963 . 2.445 2.531 2.282 3.307 0.862 11 2 "[ -. 1+ . 2]" 1
11 1 18 ILE MD 1 18 ILE HG12 1.940 . 2.410 2.113 2.110 2.117 . 0 0 "[ . 1 . 2]" 1
12 1 10 ILE MD 1 10 ILE MG 2.064 . 2.597 1.937 1.803 2.068 . 0 0 "[ . 1 . 2]" 1
13 1 41 ILE HB 1 41 ILE MG 2.032 . 2.548 2.128 2.126 2.131 . 0 0 "[ . 1 . 2]" 1
14 1 31 LYS QD 1 31 LYS QG 2.108 . 2.664 2.013 1.998 2.091 . 0 0 "[ . 1 . 2]" 1
15 1 41 ILE MD 1 74 LEU QD 1.948 . 2.422 2.085 1.962 2.256 . 0 0 "[ . 1 . 2]" 1
16 1 40 LEU MD2 1 75 VAL MG2 1.968 . 2.452 2.465 2.401 2.500 0.048 19 0 "[ . 1 . 2]" 1
17 1 74 LEU MD1 1 74 LEU MD2 2.035 . 2.553 2.067 2.063 2.072 . 0 0 "[ . 1 . 2]" 1
18 1 26 ALA HA 1 26 ALA MB 2.168 . 2.755 2.109 2.101 2.115 . 0 0 "[ . 1 . 2]" 1
19 1 75 VAL MG1 1 82 VAL QG 2.072 . 2.608 1.718 1.679 1.771 . 0 0 "[ . 1 . 2]" 1
20 1 92 ALA HA 1 93 PRO HD3 2.138 . 2.709 2.221 2.024 2.638 . 0 0 "[ . 1 . 2]" 1
21 1 83 ARG HA 1 86 ALA MB 2.106 . 2.660 1.881 1.768 2.049 . 0 0 "[ . 1 . 2]" 1
22 1 37 ILE MD 1 71 PHE HD1 2.520 . 3.314 2.189 1.992 2.402 . 0 0 "[ . 1 . 2]" 1
23 1 92 ALA HA 1 93 PRO HD2 2.315 . 2.985 2.459 2.288 2.620 . 0 0 "[ . 1 . 2]" 1
24 1 40 LEU MD1 1 40 LEU MD2 2.094 . 2.642 2.065 2.051 2.075 . 0 0 "[ . 1 . 2]" 1
25 1 83 ARG QB 1 83 ARG QD 2.292 . 2.949 2.287 2.012 2.670 . 0 0 "[ . 1 . 2]" 1
26 1 40 LEU MD2 1 41 ILE MD 2.216 . 2.830 2.878 2.776 2.932 0.102 12 0 "[ . 1 . 2]" 1
27 1 23 LEU MD2 1 23 LEU HG 2.108 . 2.663 2.121 2.108 2.127 . 0 0 "[ . 1 . 2]" 1
28 1 8 VAL HB 1 8 VAL QG 2.196 . 2.642 1.887 1.882 1.898 . 0 0 "[ . 1 . 2]" 1
29 1 18 ILE MG 1 71 PHE HZ 2.451 . 3.202 3.128 2.807 3.341 0.139 13 0 "[ . 1 . 2]" 1
30 1 23 LEU HB3 1 23 LEU MD2 2.283 . 2.934 2.182 2.148 2.214 . 0 0 "[ . 1 . 2]" 1
31 1 68 ARG HD3 1 68 ARG HG3 2.154 . 2.734 2.785 2.404 3.019 0.285 17 0 "[ . 1 . 2]" 1
32 1 36 MET ME 1 85 ILE MD 2.576 . 3.405 3.241 2.191 3.457 0.052 20 0 "[ . 1 . 2]" 1
33 1 32 VAL MG1 1 37 ILE HG12 2.120 . 2.682 1.947 1.785 2.114 . 0 0 "[ . 1 . 2]" 1
34 1 18 ILE MD 1 18 ILE HG13 2.188 . 2.786 2.108 2.106 2.112 . 0 0 "[ . 1 . 2]" 1
35 1 39 GLN HB3 1 39 GLN QG 2.380 . 3.088 2.319 2.130 2.501 . 0 0 "[ . 1 . 2]" 1
36 1 75 VAL HB 1 82 VAL QG 2.429 . 3.166 3.407 3.345 3.464 0.298 12 0 "[ . 1 . 2]" 1
37 1 19 LYS QE 1 19 LYS QG 2.151 . 2.730 2.318 2.089 2.581 . 0 0 "[ . 1 . 2]" 1
38 1 85 ILE MD 1 85 ILE HG13 2.305 . 2.969 2.121 2.119 2.124 . 0 0 "[ . 1 . 2]" 1
39 1 44 ALA HA 1 44 ALA MB 2.390 . 3.104 2.129 2.120 2.141 . 0 0 "[ . 1 . 2]" 1
40 1 93 PRO HA 1 93 PRO HB3 2.438 . 3.181 2.317 2.288 2.351 . 0 0 "[ . 1 . 2]" 1
41 1 41 ILE MD 1 41 ILE HG13 2.318 . 2.990 2.122 2.115 2.125 . 0 0 "[ . 1 . 2]" 1
42 1 75 VAL HB 1 75 VAL MG1 2.240 . 2.867 2.080 2.065 2.092 . 0 0 "[ . 1 . 2]" 1
43 1 10 ILE HB 1 10 ILE MG 2.333 . 3.013 2.129 2.120 2.136 . 0 0 "[ . 1 . 2]" 1
44 1 48 LEU HB2 1 48 LEU QD 2.676 . 3.571 2.310 2.069 2.385 . 0 0 "[ . 1 . 2]" 1
45 1 17 ARG QB 1 86 ALA MB 2.749 . 3.694 2.883 2.610 3.440 . 0 0 "[ . 1 . 2]" 1
46 1 40 LEU MD1 1 71 PHE HE1 2.798 . 3.777 2.594 2.273 2.832 . 0 0 "[ . 1 . 2]" 1
47 1 23 LEU MD1 1 23 LEU HG 2.320 . 2.993 2.129 2.123 2.134 . 0 0 "[ . 1 . 2]" 1
48 1 79 GLU HA 1 79 GLU QG 2.636 . 3.505 3.150 2.721 3.356 . 0 0 "[ . 1 . 2]" 1
49 1 10 ILE MD 1 10 ILE HG12 2.235 . 2.859 2.116 2.108 2.121 . 0 0 "[ . 1 . 2]" 1
50 1 18 ILE HA 1 85 ILE MG 2.291 . 2.947 1.840 1.777 1.960 . 0 0 "[ . 1 . 2]" 1
51 1 33 THR HB 1 33 THR MG 2.348 . 3.037 2.134 2.131 2.136 . 0 0 "[ . 1 . 2]" 1
52 1 40 LEU HA 1 40 LEU HB2 2.399 . 3.118 2.410 2.362 2.444 . 0 0 "[ . 1 . 2]" 1
53 1 31 LYS QE 1 67 ASP QB 3.100 . 4.301 3.704 1.833 4.081 0.066 1 0 "[ . 1 . 2]" 1
54 1 93 PRO HA 1 93 PRO HG2 2.940 . 4.021 3.823 3.761 3.877 . 0 0 "[ . 1 . 2]" 1
55 1 85 ILE H 1 85 ILE HB 2.312 . 2.980 2.327 2.244 2.372 . 0 0 "[ . 1 . 2]" 1
56 1 53 LEU HG 1 56 LYS QB 2.647 . 3.523 3.187 3.070 3.477 . 0 0 "[ . 1 . 2]" 1
57 1 8 VAL QG 1 9 LYS QG 2.651 . 3.530 2.346 1.929 3.503 . 0 0 "[ . 1 . 2]" 1
58 1 101 ILE HB 1 101 ILE MG 2.368 . 3.069 2.125 2.120 2.132 . 0 0 "[ . 1 . 2]" 1
59 1 92 ALA HA 1 92 ALA MB 2.442 . 3.188 2.126 2.110 2.138 . 0 0 "[ . 1 . 2]" 1
60 1 8 VAL HA 1 8 VAL QG 2.582 . 3.415 2.327 2.099 2.477 . 0 0 "[ . 1 . 2]" 1
61 1 75 VAL MG2 1 85 ILE MD 2.488 . 3.262 3.327 3.282 3.376 0.114 4 0 "[ . 1 . 2]" 1
62 1 41 ILE MG 1 48 LEU QD 2.134 . 2.703 1.974 1.879 2.091 . 0 0 "[ . 1 . 2]" 1
63 1 37 ILE HA 1 66 TYR HB2 2.939 . 4.019 4.290 4.187 4.434 0.415 12 0 "[ . 1 . 2]" 1
64 1 56 LYS HA 1 56 LYS QB 2.479 . 3.153 2.514 2.455 2.554 . 0 0 "[ . 1 . 2]" 1
65 1 23 LEU HA 1 23 LEU MD2 2.524 . 3.321 2.332 2.260 2.412 . 0 0 "[ . 1 . 2]" 1
66 1 10 ILE MG 1 15 THR H 2.630 . 3.494 2.394 2.148 2.678 . 0 0 "[ . 1 . 2]" 1
67 1 27 GLN HA 1 27 GLN HB2 2.663 . 3.550 2.976 2.955 3.004 . 0 0 "[ . 1 . 2]" 1
68 1 10 ILE MD 1 76 ALA MB 2.534 . 3.337 2.704 2.313 2.903 . 0 0 "[ . 1 . 2]" 1
69 1 23 LEU H 1 23 LEU HA 2.538 . 3.343 2.813 2.803 2.827 . 0 0 "[ . 1 . 2]" 1
70 1 75 VAL HA 1 75 VAL MG1 2.496 . 3.275 2.236 2.173 2.297 . 0 0 "[ . 1 . 2]" 1
71 1 68 ARG HA 1 68 ARG HB2 2.485 . 3.257 2.520 2.381 2.805 . 0 0 "[ . 1 . 2]" 1
72 1 17 ARG QB 1 85 ILE MG 2.704 . 3.618 2.134 1.933 2.267 . 0 0 "[ . 1 . 2]" 1
73 1 75 VAL H 1 75 VAL HB 2.463 . 3.221 2.692 2.592 2.781 . 0 0 "[ . 1 . 2]" 1
74 1 10 ILE MD 1 76 ALA HA 2.420 . 3.152 1.915 1.754 2.258 . 0 0 "[ . 1 . 2]" 1
75 1 15 THR HB 1 15 THR MG 2.444 . 3.190 2.124 2.115 2.136 . 0 0 "[ . 1 . 2]" 1
76 1 23 LEU HB2 1 23 LEU MD1 2.582 . 3.415 2.189 2.169 2.210 . 0 0 "[ . 1 . 2]" 1
77 1 75 VAL HB 1 76 ALA MB 2.916 . 3.979 3.929 3.768 4.039 0.060 19 0 "[ . 1 . 2]" 1
78 1 20 THR HA 1 20 THR MG 2.945 . 4.029 3.209 3.200 3.223 . 0 0 "[ . 1 . 2]" 1
79 1 23 LEU HB2 1 23 LEU MD2 3.039 . 4.193 3.151 3.128 3.162 . 0 0 "[ . 1 . 2]" 1
80 1 60 ARG HA 1 60 ARG HB3 2.635 . 3.503 2.792 2.266 3.011 . 0 0 "[ . 1 . 2]" 1
81 1 68 ARG HB2 1 68 ARG HG3 2.703 . 3.616 2.381 2.228 2.470 . 0 0 "[ . 1 . 2]" 1
82 1 74 LEU HA 1 74 LEU QD 2.580 . 3.412 2.108 1.981 2.961 . 0 0 "[ . 1 . 2]" 1
83 1 99 PRO HA 1 99 PRO HB2 2.568 . 3.392 2.828 2.666 2.999 . 0 0 "[ . 1 . 2]" 1
84 1 23 LEU MD2 1 68 ARG HD3 2.890 . 3.934 3.678 2.400 4.715 0.781 4 4 "[ +* 1 *- 2]" 1
85 1 53 LEU HB3 1 53 LEU MD2 2.407 . 3.131 2.206 2.172 2.248 . 0 0 "[ . 1 . 2]" 1
86 1 12 HIS HB2 1 13 GLU QB 2.825 . 3.823 3.832 3.719 3.959 0.136 20 0 "[ . 1 . 2]" 1
87 1 10 ILE HG13 1 18 ILE MD 3.192 . 4.466 3.779 3.469 3.997 . 0 0 "[ . 1 . 2]" 1
88 1 39 GLN HA 1 39 GLN HB3 2.788 . 3.759 2.873 2.590 3.035 . 0 0 "[ . 1 . 2]" 1
89 1 80 GLN HA 1 80 GLN QB 2.457 . 3.212 2.243 2.151 2.297 . 0 0 "[ . 1 . 2]" 1
90 1 69 SER HA 1 69 SER HB3 2.593 . 3.434 2.604 2.348 3.029 . 0 0 "[ . 1 . 2]" 1
91 1 53 LEU MD2 1 53 LEU HG 2.411 . 3.137 2.130 2.122 2.137 . 0 0 "[ . 1 . 2]" 1
92 1 92 ALA MB 1 93 PRO HG2 2.879 . 3.915 3.883 3.402 4.016 0.101 19 0 "[ . 1 . 2]" 1
93 1 41 ILE HA 1 41 ILE HG12 2.502 . 3.285 2.672 2.597 2.769 . 0 0 "[ . 1 . 2]" 1
94 1 26 ALA HA 1 32 VAL MG2 3.020 . 4.160 4.094 3.989 4.188 0.028 6 0 "[ . 1 . 2]" 1
95 1 18 ILE HG13 1 82 VAL HA 2.931 . 4.005 3.011 2.733 3.395 . 0 0 "[ . 1 . 2]" 1
96 1 81 TYR HA 1 81 TYR HB3 2.531 . 3.332 2.589 2.533 2.638 . 0 0 "[ . 1 . 2]" 1
97 1 84 PHE H 1 84 PHE HB3 3.015 . 4.151 3.127 2.925 3.230 . 0 0 "[ . 1 . 2]" 1
98 1 36 MET QB 1 36 MET ME 2.402 . 3.123 1.896 1.794 2.525 0.185 13 0 "[ . 1 . 2]" 1
99 1 72 PHE HA 1 72 PHE QB . . 2.391 2.351 2.328 2.370 . 0 0 "[ . 1 . 2]" 1
100 1 105 GLU QB 1 106 LEU HB2 3.127 . 4.349 3.991 3.217 4.792 0.443 5 0 "[ . 1 . 2]" 1
101 1 37 ILE MD 1 66 TYR HB2 2.392 . 3.107 2.033 1.818 2.391 . 0 0 "[ . 1 . 2]" 1
102 1 101 ILE MD 1 101 ILE HG13 2.443 . 3.189 2.097 2.082 2.110 . 0 0 "[ . 1 . 2]" 1
103 1 106 LEU HA 1 106 LEU HB2 2.882 . 3.920 2.784 2.417 3.025 . 0 0 "[ . 1 . 2]" 1
104 1 41 ILE HG12 1 53 LEU MD1 3.202 . 4.483 4.315 3.743 4.525 0.042 15 0 "[ . 1 . 2]" 1
105 1 48 LEU H 1 48 LEU HB2 2.501 . 3.283 2.478 2.364 2.553 . 0 0 "[ . 1 . 2]" 1
106 1 68 ARG HB3 1 68 ARG HD3 2.471 . 3.234 2.891 2.164 3.646 0.412 5 0 "[ . 1 . 2]" 1
107 1 79 GLU HA 1 82 VAL HB 2.481 . 3.250 3.972 2.199 4.483 1.233 9 16 "[*** * *-+*****.*** *]" 1
108 1 41 ILE H 1 41 ILE HG12 2.452 . 3.203 2.307 2.205 2.390 . 0 0 "[ . 1 . 2]" 1
109 1 9 LYS QG 1 79 GLU QB 2.219 . 2.834 1.996 1.717 2.656 . 0 0 "[ . 1 . 2]" 1
110 1 83 ARG HA 1 83 ARG QB 2.533 . 3.335 2.244 2.136 2.416 . 0 0 "[ . 1 . 2]" 1
111 1 51 GLU HA 1 51 GLU HB3 2.640 . 3.511 2.498 2.444 2.568 . 0 0 "[ . 1 . 2]" 1
112 1 53 LEU HB2 1 53 LEU HG 2.502 . 3.285 2.672 2.604 2.733 . 0 0 "[ . 1 . 2]" 1
113 1 8 VAL H 1 8 VAL HB 2.643 . 3.516 3.321 3.001 3.605 0.089 6 0 "[ . 1 . 2]" 1
114 1 18 ILE HA 1 21 ALA MB 2.752 . 3.699 3.413 3.344 3.475 . 0 0 "[ . 1 . 2]" 1
115 1 70 ALA MB 1 71 PHE HA 3.030 . 4.178 3.618 3.541 3.710 . 0 0 "[ . 1 . 2]" 1
116 1 45 PHE HB2 1 48 LEU QD 2.698 . 3.598 2.668 1.792 3.168 . 0 0 "[ . 1 . 2]" 1
117 1 48 LEU HB3 1 53 LEU HB3 3.423 . 4.887 3.923 3.684 4.171 . 0 0 "[ . 1 . 2]" 1
118 1 87 GLN HA 1 87 GLN QB 2.986 . 4.101 2.375 2.335 2.436 . 0 0 "[ . 1 . 2]" 1
119 1 41 ILE MD 1 56 LYS QB 3.142 . 4.376 2.805 2.378 3.289 . 0 0 "[ . 1 . 2]" 1
120 1 31 LYS QD 1 67 ASP QB 2.505 . 3.289 2.239 2.001 3.240 . 0 0 "[ . 1 . 2]" 1
121 1 56 LYS QB 1 56 LYS HG3 2.484 . 3.255 2.357 2.162 2.497 . 0 0 "[ . 1 . 2]" 1
122 1 44 ALA MB 1 81 TYR HD1 3.092 . 4.287 4.477 4.366 4.562 0.275 4 0 "[ . 1 . 2]" 1
123 1 68 ARG HA 1 68 ARG HG3 2.844 . 3.855 3.866 3.758 4.249 0.394 6 0 "[ . 1 . 2]" 1
124 1 57 LYS QE 1 61 ALA MB 2.489 . 3.263 2.294 1.772 2.907 0.220 15 0 "[ . 1 . 2]" 1
125 1 44 ALA MB 1 80 GLN QE 2.393 . 3.109 2.144 1.701 2.477 0.189 6 0 "[ . 1 . 2]" 1
126 1 51 GLU HA 1 51 GLU HB2 2.715 . 3.636 3.017 3.009 3.026 . 0 0 "[ . 1 . 2]" 1
127 1 30 ASP HB3 1 31 LYS QG 2.551 . 3.364 3.560 2.792 4.123 0.759 1 5 "[+ . -*1 *. * 2]" 1
128 1 10 ILE HB 1 10 ILE HG13 2.498 . 3.278 2.488 2.436 2.571 . 0 0 "[ . 1 . 2]" 1
129 1 75 VAL HA 1 81 TYR HB3 2.703 . 3.617 2.618 2.331 3.292 . 0 0 "[ . 1 . 2]" 1
130 1 20 THR HA 1 21 ALA HA 3.169 . 4.424 4.658 4.640 4.672 0.248 11 0 "[ . 1 . 2]" 1
131 1 7 MET HB3 1 7 MET HG3 2.739 . 3.677 2.759 2.401 3.011 . 0 0 "[ . 1 . 2]" 1
132 1 40 LEU MD1 1 84 PHE HB3 2.788 . 3.760 3.743 3.557 3.851 0.091 15 0 "[ . 1 . 2]" 1
133 1 18 ILE H 1 18 ILE HB 2.517 . 3.309 2.593 2.533 2.686 . 0 0 "[ . 1 . 2]" 1
134 1 89 PHE HA 1 90 PRO HD3 2.824 . 3.821 2.239 2.003 2.641 . 0 0 "[ . 1 . 2]" 1
135 1 32 VAL HB 1 66 TYR HB2 2.522 . 3.317 3.290 3.054 3.430 0.113 12 0 "[ . 1 . 2]" 1
136 1 74 LEU HG 1 81 TYR HD1 3.244 . 4.559 2.425 2.037 4.508 . 0 0 "[ . 1 . 2]" 1
137 1 42 CYS HA 1 42 CYS QB 3.021 . 4.162 2.357 2.171 2.414 . 0 0 "[ . 1 . 2]" 1
138 1 18 ILE MG 1 21 ALA MB 3.036 . 4.188 4.441 4.410 4.471 0.283 17 0 "[ . 1 . 2]" 1
139 1 33 THR HA 1 33 THR MG 2.809 . 3.795 2.309 2.281 2.346 . 0 0 "[ . 1 . 2]" 1
140 1 20 THR H 1 20 THR MG 2.733 . 3.667 2.271 2.119 2.410 . 0 0 "[ . 1 . 2]" 1
141 1 20 THR HA 1 23 LEU MD1 2.848 . 3.862 2.842 2.548 3.082 . 0 0 "[ . 1 . 2]" 1
142 1 41 ILE H 1 41 ILE HG13 3.415 . 4.873 3.495 3.383 3.621 . 0 0 "[ . 1 . 2]" 1
143 1 27 GLN QG 1 33 THR MG 2.537 . 3.342 2.057 1.921 2.235 . 0 0 "[ . 1 . 2]" 1
144 1 18 ILE MD 1 75 VAL MG2 3.045 . 4.204 4.217 4.092 4.313 0.109 11 0 "[ . 1 . 2]" 1
145 1 23 LEU HA 1 23 LEU HB2 2.999 . 4.123 3.014 3.009 3.020 . 0 0 "[ . 1 . 2]" 1
146 1 109 GLN HA 1 109 GLN HB3 2.855 . 3.874 2.525 2.384 3.022 . 0 0 "[ . 1 . 2]" 1
147 1 15 THR HA 1 15 THR MG 2.675 . 3.569 2.130 2.091 2.180 . 0 0 "[ . 1 . 2]" 1
148 1 22 PHE HD1 1 23 LEU MD2 3.284 . 4.632 4.784 4.733 4.832 0.200 15 0 "[ . 1 . 2]" 1
149 1 68 ARG HB2 1 68 ARG HD3 2.676 . 3.571 3.387 2.924 3.932 0.361 13 0 "[ . 1 . 2]" 1
150 1 82 VAL QG 1 86 ALA MB 2.911 . 3.970 3.767 2.941 4.006 0.036 9 0 "[ . 1 . 2]" 1
151 1 93 PRO HB2 1 93 PRO HD3 3.041 . 4.197 3.926 3.849 3.968 . 0 0 "[ . 1 . 2]" 1
152 1 66 TYR HD1 1 70 ALA MB 3.135 . 4.364 4.574 4.522 4.643 0.279 6 0 "[ . 1 . 2]" 1
153 1 7 MET HA 1 7 MET HG2 2.883 . 3.922 3.184 2.459 3.755 . 0 0 "[ . 1 . 2]" 1
154 1 31 LYS HA 1 31 LYS QG 2.511 . 3.299 2.334 2.241 2.495 . 0 0 "[ . 1 . 2]" 1
155 1 10 ILE HB 1 10 ILE HG12 2.864 . 3.889 3.022 3.008 3.029 . 0 0 "[ . 1 . 2]" 1
156 1 64 ASN HA 1 64 ASN HB2 2.670 . 3.561 3.005 2.974 3.019 . 0 0 "[ . 1 . 2]" 1
157 1 37 ILE HG12 1 61 ALA MB 3.266 . 4.599 4.487 3.517 4.686 0.087 6 0 "[ . 1 . 2]" 1
158 1 22 PHE HZ 1 68 ARG HA 2.833 . 3.836 2.424 2.217 2.683 . 0 0 "[ . 1 . 2]" 1
159 1 41 ILE HB 1 41 ILE HG12 2.706 . 3.621 2.567 2.518 2.606 . 0 0 "[ . 1 . 2]" 1
160 1 83 ARG H 1 83 ARG QG 2.379 . 3.087 2.026 1.799 2.412 . 0 0 "[ . 1 . 2]" 1
161 1 44 ALA MB 1 80 GLN QB 3.376 . 4.801 3.267 2.582 4.302 . 0 0 "[ . 1 . 2]" 1
162 1 18 ILE MG 1 19 LYS QG 3.033 . 4.183 3.752 3.232 4.182 . 0 0 "[ . 1 . 2]" 1
163 1 36 MET QB 1 36 MET HG2 2.700 . 3.611 2.369 2.334 2.519 . 0 0 "[ . 1 . 2]" 1
164 1 35 ALA MB 1 36 MET QB 3.073 . 4.253 3.815 3.347 4.051 . 0 0 "[ . 1 . 2]" 1
165 1 18 ILE HG13 1 75 VAL MG1 3.488 . 5.008 3.558 3.367 3.831 . 0 0 "[ . 1 . 2]" 1
166 1 17 ARG QD 1 85 ILE MG 3.418 . 4.878 4.277 4.000 4.462 . 0 0 "[ . 1 . 2]" 1
167 1 83 ARG QB 1 86 ALA MB 3.299 . 4.659 3.308 3.049 3.838 . 0 0 "[ . 1 . 2]" 1
168 1 75 VAL H 1 75 VAL MG1 3.041 . 4.197 3.758 3.749 3.772 . 0 0 "[ . 1 . 2]" 1
169 1 15 THR MG 1 72 PHE HD1 3.226 . 4.526 3.783 3.588 4.214 . 0 0 "[ . 1 . 2]" 1
170 1 89 PHE HA 1 90 PRO HD2 2.652 . 3.531 2.153 1.822 2.429 . 0 0 "[ . 1 . 2]" 1
171 1 37 ILE HA 1 37 ILE MG 2.760 . 3.712 2.690 2.584 2.822 . 0 0 "[ . 1 . 2]" 1
172 1 20 THR MG 1 89 PHE HD1 3.175 . 4.435 1.979 1.853 2.308 0.062 18 0 "[ . 1 . 2]" 1
173 1 60 ARG HB3 1 60 ARG QD 2.885 . 3.926 3.162 2.483 3.507 . 0 0 "[ . 1 . 2]" 1
174 1 54 GLN H 1 54 GLN HA 2.837 . 3.843 2.804 2.783 2.841 . 0 0 "[ . 1 . 2]" 1
175 1 25 TYR HB3 1 32 VAL MG2 3.344 . 4.742 4.707 4.334 4.855 0.113 4 0 "[ . 1 . 2]" 1
176 1 60 ARG HA 1 60 ARG HG3 2.936 . 4.014 3.173 2.470 3.802 . 0 0 "[ . 1 . 2]" 1
177 1 79 GLU QB 1 83 ARG QG 3.222 . 4.520 3.952 3.138 4.313 . 0 0 "[ . 1 . 2]" 1
178 1 68 ARG H 1 68 ARG HB3 2.624 . 3.485 2.685 2.494 3.364 . 0 0 "[ . 1 . 2]" 1
179 1 74 LEU HB3 1 74 LEU QD 2.961 . 3.824 2.320 2.113 2.367 . 0 0 "[ . 1 . 2]" 1
180 1 51 GLU HA 1 51 GLU HG2 2.769 . 3.727 2.724 2.379 3.199 . 0 0 "[ . 1 . 2]" 1
181 1 48 LEU QD 1 52 GLN HB3 3.163 . 4.414 2.741 1.957 3.184 . 0 0 "[ . 1 . 2]" 1
182 1 36 MET QB 1 36 MET HG3 2.539 . 3.345 2.154 2.117 2.164 . 0 0 "[ . 1 . 2]" 1
183 1 14 ASP HA 1 14 ASP HB2 2.722 . 3.648 2.977 2.808 3.010 . 0 0 "[ . 1 . 2]" 1
184 1 78 ASP HA 1 78 ASP HB3 2.704 . 3.618 2.596 2.546 2.642 . 0 0 "[ . 1 . 2]" 1
185 1 57 LYS HB3 1 57 LYS QE 2.710 . 3.628 3.208 2.351 3.557 . 0 0 "[ . 1 . 2]" 1
186 1 9 LYS QB 1 9 LYS HE3 3.558 . 5.140 3.745 1.932 4.450 0.044 15 0 "[ . 1 . 2]" 1
187 1 75 VAL HA 1 81 TYR HD1 3.321 . 4.700 2.447 2.240 2.866 . 0 0 "[ . 1 . 2]" 1
188 1 39 GLN HE22 1 40 LEU MD2 3.652 . 5.319 5.373 4.792 5.873 0.554 7 6 "[* . + 1** *- 2]" 1
189 1 32 VAL HB 1 37 ILE MD 2.707 . 3.623 2.310 2.142 2.553 . 0 0 "[ . 1 . 2]" 1
190 1 75 VAL HA 1 81 TYR HB2 2.542 . 3.350 2.378 2.256 2.691 . 0 0 "[ . 1 . 2]" 1
191 1 8 VAL QG 1 18 ILE MD 3.460 . 4.956 4.619 4.053 4.910 . 0 0 "[ . 1 . 2]" 1
192 1 41 ILE MD 1 57 LYS QG 3.102 . 4.305 2.755 2.307 3.484 . 0 0 "[ . 1 . 2]" 1
193 1 10 ILE HG12 1 14 ASP HB3 2.854 . 3.872 3.270 2.468 3.884 0.012 17 0 "[ . 1 . 2]" 1
194 1 18 ILE HG13 1 86 ALA MB 3.176 . 4.437 3.988 3.747 4.262 . 0 0 "[ . 1 . 2]" 1
195 1 23 LEU H 1 23 LEU HB3 3.445 . 4.929 3.563 3.547 3.576 . 0 0 "[ . 1 . 2]" 1
196 1 15 THR HA 1 18 ILE MD 2.757 . 3.707 1.910 1.853 2.046 . 0 0 "[ . 1 . 2]" 1
197 1 18 ILE HA 1 85 ILE MD 2.630 . 3.495 2.229 2.042 2.445 . 0 0 "[ . 1 . 2]" 1
198 1 57 LYS QE 1 57 LYS QG 2.747 . 3.690 2.434 2.103 2.908 . 0 0 "[ . 1 . 2]" 1
199 1 56 LYS HA 1 56 LYS HG3 2.733 . 3.667 2.757 2.247 3.635 . 0 0 "[ . 1 . 2]" 1
200 1 66 TYR HB3 1 70 ALA MB 3.081 . 4.268 3.989 3.578 4.300 0.032 7 0 "[ . 1 . 2]" 1
201 1 22 PHE HB2 1 22 PHE HD1 3.185 . 4.453 2.540 2.492 2.607 . 0 0 "[ . 1 . 2]" 1
202 1 18 ILE MG 1 72 PHE QB 3.099 . 4.299 4.052 3.781 4.178 . 0 0 "[ . 1 . 2]" 1
203 1 71 PHE HZ 1 75 VAL MG1 2.954 . 4.045 4.094 4.003 4.144 0.099 7 0 "[ . 1 . 2]" 1
204 1 85 ILE HA 1 85 ILE MD 3.620 . 5.258 3.700 3.669 3.730 . 0 0 "[ . 1 . 2]" 1
205 1 91 CYS HA 1 91 CYS QB 2.740 . 3.679 2.225 2.181 2.506 . 0 0 "[ . 1 . 2]" 1
206 1 85 ILE HA 1 87 GLN H 3.040 . 4.195 4.106 3.931 4.232 0.037 19 0 "[ . 1 . 2]" 1
207 1 22 PHE HA 1 25 TYR HB3 3.487 . 5.007 4.454 4.283 4.657 . 0 0 "[ . 1 . 2]" 1
208 1 45 PHE HB2 1 48 LEU HG 2.911 . 3.970 3.194 2.292 4.027 0.057 5 0 "[ . 1 . 2]" 1
209 1 8 VAL QG 1 79 GLU QG 3.725 . 5.459 3.510 3.052 3.999 . 0 0 "[ . 1 . 2]" 1
210 1 75 VAL MG1 1 82 VAL HA 2.638 . 3.508 2.184 2.071 2.303 . 0 0 "[ . 1 . 2]" 1
211 1 82 VAL HA 1 85 ILE HB 3.051 . 4.214 3.729 3.584 4.131 . 0 0 "[ . 1 . 2]" 1
212 1 38 ASP HA 1 53 LEU MD1 2.985 . 4.099 2.663 2.312 3.232 . 0 0 "[ . 1 . 2]" 1
213 1 40 LEU HB3 1 40 LEU MD1 3.322 . 4.701 3.006 2.934 3.059 . 0 0 "[ . 1 . 2]" 1
214 1 68 ARG HA 1 68 ARG HD3 3.824 . 5.652 4.967 3.770 5.537 . 0 0 "[ . 1 . 2]" 1
215 1 25 TYR HB3 1 36 MET ME 2.971 . 4.075 2.791 2.436 4.143 0.068 1 0 "[ . 1 . 2]" 1
216 1 50 TRP HA 1 50 TRP HB2 2.863 . 3.888 2.494 2.444 2.555 . 0 0 "[ . 1 . 2]" 1
217 1 8 VAL QG 1 9 LYS QB 3.266 . 4.599 2.812 1.965 3.769 . 0 0 "[ . 1 . 2]" 1
218 1 53 LEU HB3 1 53 LEU MD1 3.071 . 4.250 2.652 2.568 2.744 . 0 0 "[ . 1 . 2]" 1
219 1 32 VAL HB 1 37 ILE HA 3.344 . 4.742 4.860 4.616 5.033 0.291 16 0 "[ . 1 . 2]" 1
220 1 31 LYS QD 1 65 GLY QA 3.136 . 3.860 3.408 2.151 3.603 . 0 0 "[ . 1 . 2]" 1
221 1 51 GLU HA 1 51 GLU HG3 3.192 . 4.466 3.371 3.014 3.767 . 0 0 "[ . 1 . 2]" 1
222 1 10 ILE HA 1 10 ILE HB 2.842 . 3.852 3.021 3.015 3.027 . 0 0 "[ . 1 . 2]" 1
223 1 75 VAL MG1 1 81 TYR HB2 2.987 . 4.102 2.325 2.040 2.507 . 0 0 "[ . 1 . 2]" 1
224 1 68 ARG HG3 1 69 SER H 2.952 . 4.042 2.695 2.180 3.702 . 0 0 "[ . 1 . 2]" 1
225 1 101 ILE HB 1 101 ILE HG13 2.807 . 3.792 2.444 2.298 2.506 . 0 0 "[ . 1 . 2]" 1
226 1 21 ALA MB 1 85 ILE HG13 3.645 . 5.305 4.024 3.828 4.117 . 0 0 "[ . 1 . 2]" 1
227 1 75 VAL HA 1 75 VAL HB 2.813 . 3.802 3.019 3.009 3.027 . 0 0 "[ . 1 . 2]" 1
228 1 12 HIS HA 1 12 HIS HB3 2.900 . 3.952 2.470 2.436 2.511 . 0 0 "[ . 1 . 2]" 1
229 1 48 LEU QD 1 53 LEU HA 3.217 . 4.510 2.387 2.061 2.778 . 0 0 "[ . 1 . 2]" 1
230 1 75 VAL MG2 1 81 TYR HB3 2.711 . 3.630 2.518 2.319 2.891 . 0 0 "[ . 1 . 2]" 1
231 1 31 LYS QG 1 67 ASP QB 2.793 . 3.768 2.320 1.946 3.513 . 0 0 "[ . 1 . 2]" 1
232 1 12 HIS HB3 1 13 GLU QB 3.545 . 5.116 4.810 4.627 4.984 . 0 0 "[ . 1 . 2]" 1
233 1 18 ILE MG 1 72 PHE HA 2.994 . 4.114 3.249 2.941 3.386 . 0 0 "[ . 1 . 2]" 1
234 1 10 ILE HA 1 10 ILE MD 3.373 . 4.795 3.842 3.767 3.935 . 0 0 "[ . 1 . 2]" 1
235 1 20 THR MG 1 85 ILE MG 3.092 . 4.287 3.501 3.427 3.579 . 0 0 "[ . 1 . 2]" 1
236 1 18 ILE HA 1 18 ILE HG13 2.682 . 3.581 2.501 2.423 2.584 . 0 0 "[ . 1 . 2]" 1
237 1 37 ILE MG 1 38 ASP HA 3.008 . 4.139 3.155 2.988 3.298 . 0 0 "[ . 1 . 2]" 1
238 1 20 THR MG 1 21 ALA MB 3.166 . 4.419 2.801 2.718 2.876 . 0 0 "[ . 1 . 2]" 1
239 1 32 VAL HB 1 66 TYR HB3 2.822 . 3.817 3.010 2.733 3.368 . 0 0 "[ . 1 . 2]" 1
240 1 51 GLU HA 1 55 GLU H 3.545 . 5.116 4.273 3.935 4.495 . 0 0 "[ . 1 . 2]" 1
241 1 27 GLN QE 1 32 VAL HB 3.240 . 4.553 4.538 4.438 4.645 0.092 3 0 "[ . 1 . 2]" 1
242 1 23 LEU MD2 1 68 ARG HB2 3.602 . 5.224 3.482 3.213 3.732 . 0 0 "[ . 1 . 2]" 1
243 1 97 LYS HB3 1 97 LYS HG3 2.794 . 3.770 2.840 2.420 3.013 . 0 0 "[ . 1 . 2]" 1
244 1 86 ALA HA 1 86 ALA MB 2.778 . 3.742 2.127 2.106 2.134 . 0 0 "[ . 1 . 2]" 1
245 1 8 VAL QG 1 76 ALA MB 3.140 . 4.372 3.944 2.977 4.335 . 0 0 "[ . 1 . 2]" 1
246 1 25 TYR HB2 1 25 TYR HD1 3.307 . 4.674 2.796 2.567 3.024 . 0 0 "[ . 1 . 2]" 1
247 1 46 PRO HB2 1 46 PRO QD 3.723 . 5.455 3.540 3.505 3.554 . 0 0 "[ . 1 . 2]" 1
248 1 48 LEU H 1 48 LEU HG 2.844 . 3.855 2.646 2.222 3.646 . 0 0 "[ . 1 . 2]" 1
249 1 18 ILE MD 1 86 ALA MB 3.228 . 4.530 4.253 4.068 4.543 0.013 3 0 "[ . 1 . 2]" 1
250 1 10 ILE HB 1 10 ILE MD 2.999 . 4.123 2.413 2.284 2.479 . 0 0 "[ . 1 . 2]" 1
251 1 10 ILE H 1 10 ILE HG13 2.610 . 3.461 2.859 2.601 3.046 . 0 0 "[ . 1 . 2]" 1
252 1 85 ILE HA 1 88 HIS QB 2.820 . 3.814 2.836 2.076 3.791 . 0 0 "[ . 1 . 2]" 1
253 1 44 ALA MB 1 45 PHE HB3 3.217 . 4.511 4.282 4.077 4.610 0.099 12 0 "[ . 1 . 2]" 1
254 1 50 TRP HA 1 53 LEU MD2 3.246 . 4.563 3.571 3.275 4.126 . 0 0 "[ . 1 . 2]" 1
255 1 18 ILE MD 1 72 PHE HD1 3.268 . 4.603 3.557 3.067 3.871 . 0 0 "[ . 1 . 2]" 1
256 1 66 TYR HB2 1 70 ALA MB 3.437 . 4.914 4.758 4.466 4.969 0.055 15 0 "[ . 1 . 2]" 1
257 1 57 LYS HB2 1 61 ALA MB 2.874 . 3.907 1.984 1.803 2.540 0.038 8 0 "[ . 1 . 2]" 1
258 1 37 ILE HB 1 61 ALA MB 3.757 . 5.521 5.348 4.089 5.779 0.258 19 0 "[ . 1 . 2]" 1
259 1 82 VAL QG 1 83 ARG QB 3.551 . 5.127 3.298 2.644 4.068 . 0 0 "[ . 1 . 2]" 1
260 1 41 ILE HB 1 41 ILE MD 3.366 . 4.782 3.223 3.212 3.235 . 0 0 "[ . 1 . 2]" 1
261 1 93 PRO HB2 1 94 GLU H 2.971 . 4.074 3.390 2.381 4.284 0.210 18 0 "[ . 1 . 2]" 1
262 1 41 ILE H 1 41 ILE MD 3.770 . 5.547 3.683 3.578 3.775 . 0 0 "[ . 1 . 2]" 1
263 1 82 VAL HA 1 82 VAL HB 2.703 . 3.616 2.496 2.269 3.008 . 0 0 "[ . 1 . 2]" 1
264 1 37 ILE MD 1 66 TYR HB3 3.295 . 4.652 2.217 1.975 2.559 . 0 0 "[ . 1 . 2]" 1
265 1 72 PHE HA 1 75 VAL HB 2.967 . 4.067 2.854 2.583 3.144 . 0 0 "[ . 1 . 2]" 1
266 1 56 LYS H 1 56 LYS HG3 3.384 . 4.816 4.347 3.224 4.608 . 0 0 "[ . 1 . 2]" 1
267 1 38 ASP HA 1 41 ILE HB 2.946 . 4.031 2.595 2.413 2.843 . 0 0 "[ . 1 . 2]" 1
268 1 22 PHE HB2 1 71 PHE HZ 2.855 . 3.874 2.635 2.462 2.786 . 0 0 "[ . 1 . 2]" 1
269 1 82 VAL HA 1 85 ILE MD 3.587 . 5.196 4.665 4.398 4.935 . 0 0 "[ . 1 . 2]" 1
270 1 14 ASP HB3 1 82 VAL QG 2.864 . 3.890 3.428 2.280 3.744 . 0 0 "[ . 1 . 2]" 1
271 1 39 GLN HA 1 39 GLN QG 3.494 . 5.020 3.063 2.496 3.533 . 0 0 "[ . 1 . 2]" 1
272 1 32 VAL MG1 1 37 ILE HA 3.152 . 4.394 3.201 2.836 3.343 . 0 0 "[ . 1 . 2]" 1
273 1 75 VAL MG1 1 76 ALA MB 3.397 . 4.840 4.371 4.140 4.561 . 0 0 "[ . 1 . 2]" 1
274 1 10 ILE HA 1 10 ILE HG13 3.004 . 4.132 3.028 2.952 3.099 . 0 0 "[ . 1 . 2]" 1
275 1 17 ARG QB 1 17 ARG QD 2.801 . 3.580 2.142 2.078 2.412 . 0 0 "[ . 1 . 2]" 1
276 1 78 ASP HB3 1 81 TYR HD1 3.501 . 5.034 3.350 3.184 3.593 . 0 0 "[ . 1 . 2]" 1
277 1 22 PHE HA 1 71 PHE HZ 3.546 . 5.118 4.198 4.049 4.331 . 0 0 "[ . 1 . 2]" 1
278 1 25 TYR HB3 1 32 VAL MG1 3.950 . 5.900 5.025 4.856 5.362 . 0 0 "[ . 1 . 2]" 1
279 1 71 PHE HA 1 71 PHE QB 3.010 . 4.143 2.331 2.229 2.379 . 0 0 "[ . 1 . 2]" 1
280 1 31 LYS HA 1 31 LYS QD 3.516 . 5.061 3.627 3.481 3.773 . 0 0 "[ . 1 . 2]" 1
281 1 35 ALA MB 1 36 MET ME 3.576 . 5.174 5.337 5.239 5.486 0.312 19 0 "[ . 1 . 2]" 1
282 1 54 GLN HA 1 57 LYS QE 3.139 . 4.371 3.711 3.248 3.986 . 0 0 "[ . 1 . 2]" 1
283 1 31 LYS QE 1 31 LYS QG 3.716 . 5.442 2.705 2.326 2.900 . 0 0 "[ . 1 . 2]" 1
284 1 37 ILE MG 1 66 TYR HE1 3.580 . 5.182 4.320 3.837 4.813 . 0 0 "[ . 1 . 2]" 1
285 1 44 ALA MB 1 80 GLN HG3 3.263 . 4.594 4.181 2.782 5.243 0.649 8 1 "[ . + 1 . 2]" 1
286 1 38 ASP HA 1 41 ILE MD 3.786 . 5.578 5.172 4.875 5.428 . 0 0 "[ . 1 . 2]" 1
287 1 8 VAL QG 1 78 ASP HA 3.617 . 5.252 3.914 3.370 4.221 . 0 0 "[ . 1 . 2]" 1
288 1 105 GLU HA 1 106 LEU H 3.374 . 4.797 2.774 2.091 3.582 . 0 0 "[ . 1 . 2]" 1
289 1 71 PHE HA 1 71 PHE HD1 3.615 . 5.249 3.112 2.897 3.528 . 0 0 "[ . 1 . 2]" 1
290 1 20 THR HB 1 21 ALA MB 3.669 . 5.352 5.249 5.171 5.354 0.002 17 0 "[ . 1 . 2]" 1
291 1 37 ILE HG13 1 61 ALA MB 3.233 . 4.540 3.786 2.610 4.230 . 0 0 "[ . 1 . 2]" 1
292 1 41 ILE HG13 1 41 ILE MG 3.065 . 4.239 2.529 2.458 2.587 . 0 0 "[ . 1 . 2]" 1
293 1 91 CYS H 1 91 CYS QB . . 3.432 2.509 2.124 2.674 . 0 0 "[ . 1 . 2]" 1
294 1 53 LEU MD2 1 64 ASN HD22 3.332 . 4.720 4.211 2.384 4.855 0.135 20 0 "[ . 1 . 2]" 1
295 1 16 GLN HB2 1 103 ALA MB 3.708 . 5.426 3.740 2.721 4.097 . 0 0 "[ . 1 . 2]" 1
296 1 40 LEU MD2 1 41 ILE HA 3.232 . 4.538 3.425 3.108 3.715 . 0 0 "[ . 1 . 2]" 1
297 1 53 LEU HA 1 53 LEU HG 2.947 . 4.033 2.521 2.395 2.638 . 0 0 "[ . 1 . 2]" 1
298 1 37 ILE MG 1 57 LYS QE . . 2.730 1.928 1.709 2.703 0.236 11 0 "[ . 1 . 2]" 1
299 1 20 THR MG 1 89 PHE HB3 3.412 . 4.868 3.694 3.264 4.105 . 0 0 "[ . 1 . 2]" 1
300 1 29 GLN HB2 1 30 ASP H 3.084 . 4.273 2.634 1.806 2.961 0.089 19 0 "[ . 1 . 2]" 1
301 1 42 CYS H 1 53 LEU MD1 3.499 . 5.029 4.144 3.515 4.776 . 0 0 "[ . 1 . 2]" 1
302 1 13 GLU HA 1 13 GLU HG3 3.290 . 4.643 3.626 2.444 3.899 . 0 0 "[ . 1 . 2]" 1
303 1 34 GLU HA 1 37 ILE HG12 3.256 . 4.581 3.185 2.672 4.034 . 0 0 "[ . 1 . 2]" 1
304 1 26 ALA MB 1 28 GLY H 3.902 . 5.805 3.573 3.453 3.693 . 0 0 "[ . 1 . 2]" 1
305 1 76 ALA MB 1 77 SER HA 3.357 . 4.766 4.055 3.954 4.196 . 0 0 "[ . 1 . 2]" 1
306 1 32 VAL MG1 1 65 GLY QA 3.437 . 4.914 4.347 3.761 4.794 . 0 0 "[ . 1 . 2]" 1
307 1 85 ILE H 1 85 ILE HG13 3.114 . 4.326 2.915 2.775 3.031 . 0 0 "[ . 1 . 2]" 1
308 1 32 VAL MG1 1 36 MET ME 3.388 . 4.823 3.537 2.132 3.871 . 0 0 "[ . 1 . 2]" 1
309 1 40 LEU HG 1 81 TYR HD1 3.489 . 5.010 3.695 3.257 3.999 . 0 0 "[ . 1 . 2]" 1
310 1 50 TRP HE3 1 51 GLU HG2 3.385 . 4.817 3.492 3.029 4.280 . 0 0 "[ . 1 . 2]" 1
311 1 48 LEU HA 1 48 LEU QD 3.122 . 4.229 2.052 1.944 2.777 . 0 0 "[ . 1 . 2]" 1
312 1 76 ALA HA 1 82 VAL QG 3.091 . 4.285 2.909 2.513 3.188 . 0 0 "[ . 1 . 2]" 1
313 1 79 GLU QG 1 83 ARG QG 2.693 . 3.600 3.157 2.361 3.490 . 0 0 "[ . 1 . 2]" 1
314 1 17 ARG QD 1 86 ALA MB . . 3.281 1.935 1.810 2.160 0.189 16 0 "[ . 1 . 2]" 1
315 1 19 LYS HA 1 22 PHE HB2 3.837 . 5.677 4.735 4.218 5.002 . 0 0 "[ . 1 . 2]" 1
316 1 39 GLN HA 1 42 CYS QB 3.229 . 4.533 3.531 3.119 4.278 . 0 0 "[ . 1 . 2]" 1
317 1 34 GLU HA 1 37 ILE MG 3.607 . 5.233 3.038 2.411 3.294 . 0 0 "[ . 1 . 2]" 1
318 1 48 LEU QD 1 53 LEU HB2 3.436 . 4.912 2.831 2.631 3.380 . 0 0 "[ . 1 . 2]" 1
319 1 9 LYS QB 1 10 ILE H 3.346 . 4.745 3.870 3.678 3.934 . 0 0 "[ . 1 . 2]" 1
320 1 102 ASP H 1 102 ASP HB2 3.160 . 4.408 3.267 2.410 3.723 . 0 0 "[ . 1 . 2]" 1
321 1 20 THR H 1 21 ALA MB 3.743 . 5.494 4.415 4.348 4.484 . 0 0 "[ . 1 . 2]" 1
322 1 22 PHE HD1 1 23 LEU HG 3.539 . 5.104 5.211 5.133 5.312 0.208 5 0 "[ . 1 . 2]" 1
323 1 31 LYS HB2 1 65 GLY QA 3.967 . 5.934 4.200 2.961 4.655 . 0 0 "[ . 1 . 2]" 1
324 1 18 ILE HB 1 75 VAL MG1 3.605 . 5.230 3.894 3.768 4.063 . 0 0 "[ . 1 . 2]" 1
325 1 75 VAL MG2 1 81 TYR HB2 3.741 . 5.491 3.601 3.427 3.767 . 0 0 "[ . 1 . 2]" 1
326 1 51 GLU HB2 1 52 GLN H 3.111 . 4.321 2.523 2.207 2.808 . 0 0 "[ . 1 . 2]" 1
327 1 13 GLU QB 1 16 GLN HE22 3.979 . 5.958 4.157 3.649 4.987 . 0 0 "[ . 1 . 2]" 1
328 1 60 ARG HB3 1 70 ALA MB 3.412 . 4.867 2.496 1.813 5.014 0.147 19 0 "[ . 1 . 2]" 1
329 1 26 ALA MB 1 33 THR HB 3.897 . 5.795 4.079 3.907 4.332 . 0 0 "[ . 1 . 2]" 1
330 1 29 GLN HA 1 29 GLN HG3 3.420 . 4.882 3.294 3.108 3.863 . 0 0 "[ . 1 . 2]" 1
331 1 36 MET HA 1 36 MET HG3 3.825 . 5.654 3.594 3.347 3.644 . 0 0 "[ . 1 . 2]" 1
332 1 41 ILE HG13 1 74 LEU QD 3.634 . 5.285 4.231 4.085 4.449 . 0 0 "[ . 1 . 2]" 1
333 1 10 ILE HB 1 14 ASP HB2 3.828 . 5.659 4.512 4.278 5.120 . 0 0 "[ . 1 . 2]" 1
334 1 14 ASP HA 1 14 ASP HB3 2.758 . 3.709 2.520 2.425 2.860 . 0 0 "[ . 1 . 2]" 1
335 1 37 ILE HA 1 40 LEU HB3 3.031 . 4.179 3.181 2.946 3.492 . 0 0 "[ . 1 . 2]" 1
336 1 16 GLN HG3 1 102 ASP HB3 3.767 . 5.541 4.260 2.930 5.683 0.142 5 0 "[ . 1 . 2]" 1
337 1 37 ILE HA 1 40 LEU H 3.120 . 4.337 3.482 3.337 3.628 . 0 0 "[ . 1 . 2]" 1
338 1 21 ALA MB 1 36 MET ME 3.391 . 4.828 3.611 3.276 4.273 . 0 0 "[ . 1 . 2]" 1
339 1 36 MET ME 1 40 LEU MD1 3.438 . 4.916 4.541 3.695 4.846 . 0 0 "[ . 1 . 2]" 1
340 1 22 PHE HZ 1 68 ARG HD3 4.041 . 6.082 5.984 4.302 6.916 0.834 5 3 "[ -+ 1 * 2]" 1
341 1 40 LEU H 1 40 LEU MD2 4.020 . 6.040 4.178 4.071 4.250 . 0 0 "[ . 1 . 2]" 1
342 1 31 LYS HB2 1 66 TYR H 4.054 . 6.109 5.860 4.706 6.169 0.060 6 0 "[ . 1 . 2]" 1
343 1 37 ILE MG 1 38 ASP QB 3.920 . 5.841 3.675 3.487 3.919 . 0 0 "[ . 1 . 2]" 1
344 1 40 LEU HB3 1 41 ILE H 2.984 . 4.097 2.433 2.350 2.575 . 0 0 "[ . 1 . 2]" 1
345 1 59 GLY HA3 1 60 ARG QD 3.620 . 5.258 4.580 2.874 5.163 . 0 0 "[ . 1 . 2]" 1
346 1 17 ARG QD 1 86 ALA HA . . 3.330 2.591 2.187 3.211 . 0 0 "[ . 1 . 2]" 1
347 1 20 THR HA 1 23 LEU HG 3.711 . 5.432 4.537 4.174 4.841 . 0 0 "[ . 1 . 2]" 1
348 1 31 LYS HA 1 32 VAL MG2 3.347 . 4.747 3.731 3.444 4.218 . 0 0 "[ . 1 . 2]" 1
349 1 18 ILE MD 1 19 LYS H 3.852 . 5.707 3.965 3.800 4.039 . 0 0 "[ . 1 . 2]" 1
350 1 10 ILE HG12 1 15 THR MG 3.206 . 4.490 3.969 3.599 4.531 0.041 17 0 "[ . 1 . 2]" 1
351 1 36 MET HA 1 39 GLN QG 3.703 . 5.417 3.524 2.784 4.265 . 0 0 "[ . 1 . 2]" 1
352 1 37 ILE HA 1 37 ILE HG12 3.309 . 4.678 3.220 3.144 3.309 . 0 0 "[ . 1 . 2]" 1
353 1 60 ARG HA 1 60 ARG QD 3.219 . 4.514 2.136 1.819 3.687 0.118 1 0 "[ . 1 . 2]" 1
354 1 56 LYS QB 1 56 LYS QE 4.227 . 6.461 3.311 2.047 3.760 . 0 0 "[ . 1 . 2]" 1
355 1 17 ARG HA 1 91 CYS HA 3.291 . 4.645 2.667 2.150 4.394 . 0 0 "[ . 1 . 2]" 1
356 1 22 PHE HD1 1 68 ARG HA 3.802 . 5.609 5.671 5.512 5.768 0.159 6 0 "[ . 1 . 2]" 1
357 1 31 LYS HB2 1 31 LYS QE 3.551 . 5.127 2.610 2.223 4.258 . 0 0 "[ . 1 . 2]" 1
358 1 27 GLN QE 1 29 GLN HG3 3.460 . 4.956 4.099 3.043 4.467 . 0 0 "[ . 1 . 2]" 1
359 1 83 ARG QB 1 84 PHE H 3.551 . 5.127 3.179 2.743 3.650 . 0 0 "[ . 1 . 2]" 1
360 1 37 ILE HG13 1 53 LEU MD2 3.630 . 5.277 5.301 4.954 5.406 0.129 16 0 "[ . 1 . 2]" 1
361 1 110 LYS HB3 1 112 PHE QB 3.651 . 5.317 4.090 2.733 6.017 0.700 12 1 "[ . 1 + . 2]" 1
362 1 31 LYS QG 1 65 GLY QA 4.250 . 6.508 4.667 3.881 4.959 . 0 0 "[ . 1 . 2]" 1
363 1 68 ARG HB2 1 69 SER H 3.558 . 5.141 3.756 3.210 4.148 . 0 0 "[ . 1 . 2]" 1
364 1 15 THR MG 1 19 LYS QB 3.915 . 5.831 4.931 3.964 5.389 . 0 0 "[ . 1 . 2]" 1
365 1 40 LEU MD2 1 81 TYR HE1 3.892 . 5.785 3.399 3.129 3.621 . 0 0 "[ . 1 . 2]" 1
366 1 12 HIS HB3 1 12 HIS HD2 3.603 . 5.226 3.436 2.776 3.953 . 0 0 "[ . 1 . 2]" 1
367 1 82 VAL HA 1 85 ILE H 3.315 . 4.689 3.831 3.690 4.083 . 0 0 "[ . 1 . 2]" 1
368 1 50 TRP HE3 1 51 GLU HG3 3.546 . 5.118 4.138 2.733 5.180 0.062 9 0 "[ . 1 . 2]" 1
369 1 15 THR MG 1 16 GLN HA 3.830 . 5.663 4.802 4.104 5.061 . 0 0 "[ . 1 . 2]" 1
370 1 7 MET HA 1 8 VAL QG 3.781 . 5.568 3.611 3.141 4.474 . 0 0 "[ . 1 . 2]" 1
371 1 74 LEU QD 1 75 VAL HA 3.650 . 5.315 3.984 2.641 4.215 . 0 0 "[ . 1 . 2]" 1
372 1 30 ASP HB3 1 31 LYS H 3.375 . 4.799 4.095 3.328 4.404 . 0 0 "[ . 1 . 2]" 1
373 1 20 THR MG 1 21 ALA HA 3.577 . 5.176 3.083 2.988 3.245 . 0 0 "[ . 1 . 2]" 1
374 1 73 SER HA 1 76 ALA MB 3.472 . 4.979 3.055 2.834 3.361 . 0 0 "[ . 1 . 2]" 1
375 1 75 VAL HA 1 76 ALA MB 3.704 . 5.419 5.025 4.998 5.045 . 0 0 "[ . 1 . 2]" 1
376 1 41 ILE MD 1 57 LYS H 4.381 . 6.781 4.593 4.046 5.241 . 0 0 "[ . 1 . 2]" 1
377 1 74 LEU H 1 74 LEU QD 4.004 . 5.784 3.711 3.674 3.750 . 0 0 "[ . 1 . 2]" 1
378 1 33 THR MG 1 35 ALA H 3.849 . 5.701 4.562 4.145 4.962 . 0 0 "[ . 1 . 2]" 1
379 1 38 ASP QB 1 53 LEU MD1 3.730 . 5.469 3.657 3.026 4.249 . 0 0 "[ . 1 . 2]" 1
380 1 50 TRP HA 1 53 LEU HB2 4.183 . 6.370 3.566 3.157 3.893 . 0 0 "[ . 1 . 2]" 1
381 1 103 ALA HA 1 103 ALA MB 3.378 . 4.805 2.126 2.101 2.141 . 0 0 "[ . 1 . 2]" 1
382 1 35 ALA MB 1 38 ASP QB 4.097 . 6.195 4.070 3.858 4.349 . 0 0 "[ . 1 . 2]" 1
383 1 54 GLN HE22 1 54 GLN HG2 3.082 . 4.269 3.507 3.480 3.777 . 0 0 "[ . 1 . 2]" 1
384 1 21 ALA HA 1 89 PHE HB2 3.731 . 5.471 4.432 4.036 4.885 . 0 0 "[ . 1 . 2]" 1
385 1 74 LEU QD 1 78 ASP HA 3.821 . 5.646 5.385 5.008 5.542 . 0 0 "[ . 1 . 2]" 1
386 1 9 LYS HA 1 9 LYS HD3 3.285 . 4.634 2.251 1.792 3.620 0.144 6 0 "[ . 1 . 2]" 1
387 1 37 ILE MD 1 53 LEU MD2 3.937 . 5.874 5.677 5.496 5.828 . 0 0 "[ . 1 . 2]" 1
388 1 53 LEU HA 1 53 LEU MD2 3.838 . 5.679 3.413 3.118 3.591 . 0 0 "[ . 1 . 2]" 1
389 1 48 LEU QD 1 49 SER H 4.309 . 4.916 3.580 3.369 4.072 . 0 0 "[ . 1 . 2]" 1
390 1 18 ILE HB 1 18 ILE MD 3.306 . 4.672 2.201 2.180 2.210 . 0 0 "[ . 1 . 2]" 1
391 1 53 LEU MD1 1 57 LYS QE 3.666 . 5.346 4.307 4.119 4.575 . 0 0 "[ . 1 . 2]" 1
392 1 48 LEU QD 1 53 LEU H 3.969 . 5.939 3.774 3.399 4.150 . 0 0 "[ . 1 . 2]" 1
393 1 23 LEU H 1 23 LEU MD2 4.399 . 6.817 3.374 3.300 3.461 . 0 0 "[ . 1 . 2]" 1
394 1 36 MET ME 1 40 LEU MD2 3.805 . 5.615 5.417 4.584 5.636 0.021 3 0 "[ . 1 . 2]" 1
395 1 69 SER HB3 1 72 PHE QB 4.208 . 6.421 5.220 4.901 5.666 . 0 0 "[ . 1 . 2]" 1
396 1 40 LEU MD2 1 81 TYR HB3 3.514 . 5.058 3.894 3.798 4.022 . 0 0 "[ . 1 . 2]" 1
397 1 37 ILE MG 1 66 TYR HB2 4.270 . 6.549 3.531 3.413 3.753 . 0 0 "[ . 1 . 2]" 1
398 1 57 LYS H 1 74 LEU QD 4.198 . 6.400 5.855 5.365 6.266 . 0 0 "[ . 1 . 2]" 1
399 1 36 MET HA 1 39 GLN HB3 3.313 . 4.685 2.570 2.103 3.008 . 0 0 "[ . 1 . 2]" 1
400 1 16 GLN HG3 1 20 THR MG 3.940 . 5.880 6.138 5.417 6.372 0.492 9 0 "[ . 1 . 2]" 1
401 1 24 SER QB 1 28 GLY HA3 4.634 . 7.318 4.792 4.495 5.079 . 0 0 "[ . 1 . 2]" 1
402 1 10 ILE MD 1 14 ASP HB2 4.376 . 6.769 4.853 4.537 5.212 . 0 0 "[ . 1 . 2]" 1
403 1 10 ILE MG 1 14 ASP HB3 4.138 . 6.278 3.185 2.617 3.435 . 0 0 "[ . 1 . 2]" 1
404 1 101 ILE HB 1 101 ILE MD 3.551 . 5.128 2.711 2.369 3.243 . 0 0 "[ . 1 . 2]" 1
405 1 13 GLU H 1 13 GLU HG3 3.611 . 5.241 3.314 2.343 4.389 . 0 0 "[ . 1 . 2]" 1
406 1 35 ALA MB 1 36 MET HG3 4.187 . 6.378 4.819 4.495 5.126 . 0 0 "[ . 1 . 2]" 1
407 1 10 ILE HB 1 14 ASP HB3 4.499 . 7.029 5.106 4.457 5.369 . 0 0 "[ . 1 . 2]" 1
408 1 8 VAL QG 1 10 ILE HG12 4.544 . 7.125 3.646 3.234 4.243 . 0 0 "[ . 1 . 2]" 1
409 1 42 CYS QB 1 46 PRO HG3 4.479 . 6.987 6.023 4.814 7.895 0.908 5 2 "[ + -1 . 2]" 1
410 1 16 GLN HB2 1 91 CYS QB 3.138 . 3.155 2.315 1.818 3.462 0.307 8 0 "[ . 1 . 2]" 1
411 1 48 LEU HA 1 48 LEU HG 3.623 . 5.264 3.201 2.466 3.407 . 0 0 "[ . 1 . 2]" 1
412 1 21 ALA HA 1 24 SER QB 4.546 . 7.129 3.619 2.991 4.487 . 0 0 "[ . 1 . 2]" 1
413 1 15 THR MG 1 19 LYS HD2 3.740 . 5.489 3.673 2.537 4.947 . 0 0 "[ . 1 . 2]" 1
414 1 41 ILE HB 1 42 CYS QB 4.344 . 6.702 4.255 4.051 4.767 . 0 0 "[ . 1 . 2]" 1
415 1 33 THR MG 1 36 MET HG3 4.280 . 6.570 6.618 6.357 6.678 0.108 2 0 "[ . 1 . 2]" 1
416 1 32 VAL HA 1 32 VAL MG1 3.556 . 5.137 2.611 2.542 2.752 . 0 0 "[ . 1 . 2]" 1
417 1 75 VAL MG2 1 76 ALA MB 4.305 . 6.621 4.804 4.733 4.889 . 0 0 "[ . 1 . 2]" 1
418 1 58 LYS H 1 61 ALA MB 4.198 . 6.400 4.736 4.501 5.181 . 0 0 "[ . 1 . 2]" 1
419 1 69 SER H 1 70 ALA MB 4.403 . 6.827 4.258 4.162 4.365 . 0 0 "[ . 1 . 2]" 1
420 1 63 ALA MB 1 64 ASN HA 4.629 . 7.307 4.384 4.014 5.052 . 0 0 "[ . 1 . 2]" 1
421 1 19 LYS QE 1 72 PHE QB 3.649 . 5.313 4.282 2.586 4.936 . 0 0 "[ . 1 . 2]" 1
422 1 29 GLN HB3 1 31 LYS HB2 4.460 . 6.946 4.816 4.323 6.220 . 0 0 "[ . 1 . 2]" 1
423 1 26 ALA MB 1 36 MET ME 4.193 . 6.390 4.048 2.807 4.606 . 0 0 "[ . 1 . 2]" 1
424 1 61 ALA MB 1 71 PHE HD1 4.068 . 6.136 6.104 5.517 6.256 0.120 17 0 "[ . 1 . 2]" 1
425 1 86 ALA HA 1 90 PRO HD2 4.215 . 6.435 6.477 6.320 6.578 0.143 6 0 "[ . 1 . 2]" 1
426 1 94 GLU H 1 94 GLU HG3 3.869 . 5.740 3.930 2.237 4.765 . 0 0 "[ . 1 . 2]" 1
427 1 8 VAL QG 1 9 LYS HA 4.460 . 6.946 3.499 3.237 4.317 . 0 0 "[ . 1 . 2]" 1
428 1 74 LEU QD 1 81 TYR HE1 . . 3.723 2.122 1.840 2.260 0.145 15 0 "[ . 1 . 2]" 1
429 1 44 ALA MB 1 46 PRO QD 4.280 . 6.569 4.669 4.388 5.308 . 0 0 "[ . 1 . 2]" 1
430 1 87 GLN HA 1 90 PRO HD3 3.699 . 5.409 5.454 5.331 5.510 0.101 13 0 "[ . 1 . 2]" 1
431 1 41 ILE MD 1 57 LYS QE 4.348 . 6.711 4.497 4.055 4.899 . 0 0 "[ . 1 . 2]" 1
432 1 80 GLN HA 1 83 ARG QD 4.381 . 6.780 3.167 2.074 4.627 . 0 0 "[ . 1 . 2]" 1
433 1 66 TYR HE1 1 74 LEU HG 4.554 . 7.147 4.659 4.329 5.205 . 0 0 "[ . 1 . 2]" 1
434 1 23 LEU MD1 1 68 ARG HG3 3.914 . 5.829 5.548 4.922 6.112 0.283 20 0 "[ . 1 . 2]" 1
435 1 23 LEU MD1 1 68 ARG HB2 4.368 . 6.753 4.070 3.722 4.493 . 0 0 "[ . 1 . 2]" 1
436 1 36 MET ME 1 37 ILE HG12 4.048 . 6.096 6.098 4.910 6.235 0.139 10 0 "[ . 1 . 2]" 1
437 1 26 ALA HA 1 36 MET ME 4.639 . 7.329 5.098 4.214 6.011 . 0 0 "[ . 1 . 2]" 1
438 1 20 THR MG 1 89 PHE HB2 4.299 . 6.609 4.796 4.434 5.170 . 0 0 "[ . 1 . 2]" 1
439 1 101 ILE HA 1 101 ILE MD 4.179 . 6.362 3.578 1.990 4.181 0.006 4 0 "[ . 1 . 2]" 1
440 1 60 ARG QD 1 67 ASP QB 4.474 . 6.976 4.470 3.102 5.367 . 0 0 "[ . 1 . 2]" 1
441 1 21 ALA HA 1 36 MET HG3 4.691 . 7.441 6.943 6.669 7.303 . 0 0 "[ . 1 . 2]" 1
442 1 26 ALA H 1 36 MET ME 4.451 . 6.927 4.138 3.052 5.228 . 0 0 "[ . 1 . 2]" 1
443 1 36 MET ME 1 39 GLN HE21 4.824 . 7.732 3.777 2.723 4.741 . 0 0 "[ . 1 . 2]" 1
444 1 56 LYS H 1 57 LYS HB3 5.040 . 8.215 6.333 6.020 6.583 . 0 0 "[ . 1 . 2]" 1
445 1 32 VAL HA 1 37 ILE HB 4.328 . 6.669 6.605 6.060 6.795 0.126 3 0 "[ . 1 . 2]" 1
446 1 56 LYS HA 1 57 LYS QG 4.828 . 7.742 4.285 4.061 4.417 . 0 0 "[ . 1 . 2]" 1
447 1 24 SER QB 1 89 PHE HE1 4.886 . 7.870 5.034 4.695 5.564 . 0 0 "[ . 1 . 2]" 1
448 1 74 LEU HB2 1 74 LEU QD . . 2.074 2.068 2.054 2.135 0.061 15 0 "[ . 1 . 2]" 1
449 1 48 LEU HB3 1 48 LEU QD . . 2.808 2.109 2.082 2.206 . 0 0 "[ . 1 . 2]" 1
450 1 48 LEU HB3 1 53 LEU MD1 4.706 . 7.475 3.518 3.079 3.800 . 0 0 "[ . 1 . 2]" 1
451 1 57 LYS QE 1 64 ASN HB2 4.918 . 7.942 6.214 4.799 7.111 . 0 0 "[ . 1 . 2]" 1
452 1 40 LEU HA 1 40 LEU MD1 4.598 . 7.241 2.706 2.504 2.869 . 0 0 "[ . 1 . 2]" 1
453 1 104 LEU QD 1 104 LEU HG 4.017 . 6.034 1.891 1.876 1.898 0.124 19 0 "[ . 1 . 2]" 1
454 1 18 ILE MD 1 82 VAL HA 4.402 . 6.824 2.579 2.344 2.800 . 0 0 "[ . 1 . 2]" 1
455 1 18 ILE MD 1 79 GLU QG 5.221 . 8.628 7.317 6.806 7.635 . 0 0 "[ . 1 . 2]" 1
456 1 53 LEU MD2 1 57 LYS QE 4.158 . 6.319 2.392 2.139 2.718 . 0 0 "[ . 1 . 2]" 1
457 1 8 VAL HB 1 10 ILE MD 5.182 . 8.538 4.548 2.863 5.203 . 0 0 "[ . 1 . 2]" 1
458 1 21 ALA HA 1 88 HIS H 5.451 . 9.165 8.511 8.257 8.759 . 0 0 "[ . 1 . 2]" 1
459 1 23 LEU MD2 1 26 ALA H 5.478 . 9.229 5.848 5.771 5.956 . 0 0 "[ . 1 . 2]" 1
460 1 32 VAL MG1 1 37 ILE HB 16.583 . 50.957 3.071 2.704 3.291 . 0 0 "[ . 1 . 2]" 1
461 1 8 VAL HA 1 10 ILE H 6.935 . 12.947 4.134 3.795 4.468 . 0 0 "[ . 1 . 2]" 1
462 1 21 ALA HA 1 25 TYR HD1 6.255 . 11.145 2.379 2.110 2.795 . 0 0 "[ . 1 . 2]" 1
463 1 23 LEU MD1 1 25 TYR HE1 4.934 . 7.977 8.139 8.092 8.185 0.208 4 0 "[ . 1 . 2]" 1
464 1 41 ILE MD 1 66 TYR HE1 5.907 . 10.269 3.463 2.874 3.857 . 0 0 "[ . 1 . 2]" 1
465 1 85 ILE MG 1 89 PHE HB2 6.093 . 10.734 3.776 3.464 4.282 . 0 0 "[ . 1 . 2]" 1
466 1 19 LYS HA 1 19 LYS QB 4.945 . 8.002 2.347 2.248 2.533 . 0 0 "[ . 1 . 2]" 1
467 1 53 LEU HG 1 56 LYS HA 5.798 . 10.000 6.159 6.009 6.550 . 0 0 "[ . 1 . 2]" 1
468 1 103 ALA MB 1 105 GLU QB 5.303 . 8.818 5.357 3.482 6.353 . 0 0 "[ . 1 . 2]" 1
469 1 87 GLN QB 1 88 HIS QB 4.886 . 7.870 4.078 3.581 4.503 . 0 0 "[ . 1 . 2]" 1
470 1 61 ALA MB 1 62 ALA MB 5.218 . 8.622 4.297 4.093 4.659 . 0 0 "[ . 1 . 2]" 1
471 1 7 MET HA 1 7 MET HG3 4.461 . 6.948 2.932 2.401 3.809 . 0 0 "[ . 1 . 2]" 1
472 1 19 LYS QB 1 103 ALA MB 3.901 . 5.803 4.991 3.895 5.549 . 0 0 "[ . 1 . 2]" 1
473 1 41 ILE HA 1 41 ILE HG13 4.733 . 7.533 3.674 3.651 3.697 . 0 0 "[ . 1 . 2]" 1
474 1 21 ALA HA 1 36 MET ME 4.444 . 6.913 5.146 4.740 5.913 . 0 0 "[ . 1 . 2]" 1
475 1 60 ARG H 1 61 ALA MB 5.075 . 8.294 3.959 3.558 4.558 . 0 0 "[ . 1 . 2]" 1
476 1 85 ILE MG 1 89 PHE HB3 4.085 . 6.171 2.755 2.551 3.019 . 0 0 "[ . 1 . 2]" 1
477 1 22 PHE HB2 1 36 MET ME 4.203 . 6.411 3.859 3.174 4.336 . 0 0 "[ . 1 . 2]" 1
478 1 101 ILE HB 1 104 LEU HG 4.263 . 6.534 5.775 2.503 6.640 0.106 4 0 "[ . 1 . 2]" 1
479 1 45 PHE HZ 1 74 LEU QD 3.955 . 5.358 2.380 2.167 2.887 . 0 0 "[ . 1 . 2]" 1
480 1 22 PHE HD1 1 36 MET ME 4.394 . 6.807 4.095 2.957 4.511 . 0 0 "[ . 1 . 2]" 1
481 1 32 VAL MG1 1 33 THR MG 3.943 . 5.886 4.150 3.943 4.304 . 0 0 "[ . 1 . 2]" 1
482 1 74 LEU HB2 1 75 VAL H 4.415 . 6.851 3.801 3.619 3.917 . 0 0 "[ . 1 . 2]" 1
483 1 36 MET ME 1 39 GLN QG 3.835 . 5.673 2.490 1.868 3.762 0.129 12 0 "[ . 1 . 2]" 1
484 1 32 VAL HA 1 33 THR MG 4.293 . 6.597 3.834 3.685 4.045 . 0 0 "[ . 1 . 2]" 1
485 1 50 TRP HB2 1 53 LEU MD1 3.917 . 5.835 5.422 4.800 5.830 . 0 0 "[ . 1 . 2]" 1
486 1 37 ILE HA 1 40 LEU HB2 3.784 . 5.574 4.078 3.658 4.596 . 0 0 "[ . 1 . 2]" 1
487 1 83 ARG QB 1 87 GLN HA 4.143 . 6.288 5.302 5.026 5.834 . 0 0 "[ . 1 . 2]" 1
488 1 41 ILE HG12 1 66 TYR HE1 3.878 . 5.758 4.135 3.454 4.719 . 0 0 "[ . 1 . 2]" 1
489 1 61 ALA MB 1 64 ASN HA 3.662 . 5.338 3.640 2.654 4.250 . 0 0 "[ . 1 . 2]" 1
490 1 39 GLN QG 1 40 LEU MD1 4.302 . 6.615 4.539 3.849 5.223 . 0 0 "[ . 1 . 2]" 1
491 1 55 GLU QG 1 56 LYS QB 3.971 . 5.942 3.798 3.578 4.960 . 0 0 "[ . 1 . 2]" 1
492 1 75 VAL MG1 1 81 TYR HA 3.701 . 5.413 3.685 3.596 3.807 . 0 0 "[ . 1 . 2]" 1
493 1 91 CYS QB 1 103 ALA MB 4.368 . 6.752 5.278 4.666 5.714 . 0 0 "[ . 1 . 2]" 1
494 1 18 ILE HA 1 18 ILE MD 3.999 . 5.998 3.788 3.746 3.820 . 0 0 "[ . 1 . 2]" 1
495 1 12 HIS HB3 1 103 ALA MB 3.194 . 4.469 3.983 3.502 4.674 0.205 20 0 "[ . 1 . 2]" 1
496 1 40 LEU MD1 1 66 TYR HE1 3.182 . 4.447 4.573 4.525 4.655 0.208 4 0 "[ . 1 . 2]" 1
497 1 19 LYS HD2 1 103 ALA MB 3.189 . 4.461 4.168 3.499 5.232 0.771 20 1 "[ . 1 . +]" 1
498 1 40 LEU HG 1 81 TYR HE1 3.298 . 4.658 3.630 3.309 3.849 . 0 0 "[ . 1 . 2]" 1
499 1 101 ILE HB 1 103 ALA MB 3.041 . 4.197 3.444 2.640 4.164 . 0 0 "[ . 1 . 2]" 1
500 1 53 LEU HB2 1 53 LEU MD1 2.809 . 3.795 2.170 2.148 2.201 . 0 0 "[ . 1 . 2]" 1
501 1 101 ILE HG12 1 103 ALA MB 3.716 . 5.442 4.760 3.261 6.217 0.775 20 2 "[ . 1 . -+]" 1
502 1 45 PHE HD1 1 48 LEU QD 3.385 . 4.817 2.794 2.232 3.147 . 0 0 "[ . 1 . 2]" 1
503 1 102 ASP HA 1 102 ASP HB2 2.764 . 3.719 2.686 2.426 3.025 . 0 0 "[ . 1 . 2]" 1
504 1 44 ALA MB 1 81 TYR HE1 3.243 . 4.558 3.494 3.350 3.565 . 0 0 "[ . 1 . 2]" 1
505 1 85 ILE MG 1 89 PHE HD1 3.286 . 4.636 3.782 3.423 4.166 . 0 0 "[ . 1 . 2]" 1
506 1 87 GLN HA 1 87 GLN HG3 2.908 . 3.965 2.788 2.504 3.694 . 0 0 "[ . 1 . 2]" 1
507 1 89 PHE HD1 1 91 CYS HA 3.176 . 4.437 4.482 4.307 4.549 0.112 16 0 "[ . 1 . 2]" 1
508 1 25 TYR HB2 1 36 MET QB 3.333 . 4.722 3.836 3.704 4.195 . 0 0 "[ . 1 . 2]" 1
509 1 41 ILE MG 1 42 CYS HA 2.674 . 3.567 3.234 3.143 3.314 . 0 0 "[ . 1 . 2]" 1
510 1 25 TYR HB3 1 25 TYR HD1 2.851 . 3.867 3.737 3.710 3.746 . 0 0 "[ . 1 . 2]" 1
511 1 18 ILE HB 1 18 ILE HG13 2.490 . 3.265 2.772 2.754 2.793 . 0 0 "[ . 1 . 2]" 1
512 1 103 ALA MB 1 104 LEU HG 2.548 . 3.360 2.903 2.186 4.102 0.742 13 1 "[ . 1 + . 2]" 1
513 1 18 ILE MG 1 40 LEU MD1 2.577 . 3.407 3.584 3.501 3.637 0.230 19 0 "[ . 1 . 2]" 1
514 1 40 LEU HB3 1 40 LEU HG 2.464 . 3.223 2.759 2.694 2.828 . 0 0 "[ . 1 . 2]" 1
515 1 45 PHE HD1 1 46 PRO QD 3.465 . 4.966 4.778 4.664 4.826 . 0 0 "[ . 1 . 2]" 1
516 1 89 PHE HB3 1 89 PHE HD1 2.805 . 3.788 2.309 2.270 2.366 . 0 0 "[ . 1 . 2]" 1
517 1 26 ALA MB 1 27 GLN QG 2.594 . 3.435 2.513 2.103 2.803 . 0 0 "[ . 1 . 2]" 1
518 1 83 ARG HA 1 83 ARG QG 2.649 . 3.526 2.881 2.321 3.333 . 0 0 "[ . 1 . 2]" 1
519 1 45 PHE HZ 1 81 TYR HE1 2.331 . 3.010 3.116 3.077 3.177 0.167 5 0 "[ . 1 . 2]" 1
520 1 21 ALA H 1 85 ILE MG 2.273 . 2.919 3.034 3.000 3.068 0.149 14 0 "[ . 1 . 2]" 1
521 1 72 PHE HA 1 73 SER H 2.548 . 3.359 3.485 3.469 3.508 0.149 7 0 "[ . 1 . 2]" 1
522 1 49 SER H 1 49 SER HB3 2.549 . 3.361 2.995 2.483 3.620 0.259 4 0 "[ . 1 . 2]" 1
523 1 26 ALA HA 1 33 THR H 2.978 . 4.087 4.073 3.981 4.147 0.060 11 0 "[ . 1 . 2]" 1
524 1 74 LEU HB3 1 75 VAL H 2.509 . 3.296 2.474 2.336 2.617 . 0 0 "[ . 1 . 2]" 1
525 1 101 ILE H 1 101 ILE HA 2.606 . 3.455 2.885 2.246 2.949 . 0 0 "[ . 1 . 2]" 1
526 1 85 ILE HB 1 86 ALA H 2.639 . 3.510 2.730 2.613 2.808 . 0 0 "[ . 1 . 2]" 1
527 1 36 MET H 1 36 MET QB . . 1.999 2.166 2.027 2.231 0.232 20 0 "[ . 1 . 2]" 1
528 1 54 GLN HG2 1 55 GLU H 2.762 . 3.716 2.735 2.363 3.411 . 0 0 "[ . 1 . 2]" 1
529 1 17 ARG H 1 17 ARG HA 2.717 . 3.639 2.798 2.751 2.828 . 0 0 "[ . 1 . 2]" 1
530 1 99 PRO HB3 1 100 GLU H 2.967 . 4.068 3.879 2.390 4.585 0.517 15 1 "[ . 1 + 2]" 1
531 1 100 GLU H 1 100 GLU HA 2.944 . 4.027 2.774 2.252 2.943 . 0 0 "[ . 1 . 2]" 1
532 1 53 LEU H 1 53 LEU MD1 3.810 . 5.625 4.312 4.209 4.384 . 0 0 "[ . 1 . 2]" 1
533 1 51 GLU HB3 1 52 GLN H 2.976 . 4.083 3.504 3.261 3.730 . 0 0 "[ . 1 . 2]" 1
534 1 100 GLU H 1 100 GLU HB2 3.207 . 4.493 3.279 2.312 3.972 . 0 0 "[ . 1 . 2]" 1
535 1 95 GLU H 1 95 GLU QB 3.128 . 4.351 2.673 2.159 3.383 . 0 0 "[ . 1 . 2]" 1
536 1 88 HIS HA 1 89 PHE H 3.407 . 4.858 3.461 3.316 3.565 . 0 0 "[ . 1 . 2]" 1
537 1 100 GLU H 1 100 GLU HB3 3.545 . 5.116 2.972 2.463 4.051 . 0 0 "[ . 1 . 2]" 1
538 1 23 LEU MD2 1 68 ARG H 3.757 . 5.522 3.735 3.474 4.430 . 0 0 "[ . 1 . 2]" 1
539 1 77 SER H 1 78 ASP HA 4.443 . 6.910 4.789 4.647 4.930 . 0 0 "[ . 1 . 2]" 1
540 1 40 LEU HB2 1 41 ILE H 4.489 . 7.008 3.818 3.754 3.922 . 0 0 "[ . 1 . 2]" 1
541 1 19 LYS HA 1 22 PHE H 3.881 . 5.764 4.258 4.008 4.428 . 0 0 "[ . 1 . 2]" 1
542 1 72 PHE HA 1 75 VAL H 3.669 . 5.352 3.319 3.216 3.429 . 0 0 "[ . 1 . 2]" 1
543 1 13 GLU QB 1 14 ASP H 3.895 . 4.552 3.399 2.468 3.649 . 0 0 "[ . 1 . 2]" 1
544 1 101 ILE HB 1 102 ASP H 4.767 . 7.608 3.387 1.924 4.412 0.002 11 0 "[ . 1 . 2]" 1
545 1 20 THR HA 1 21 ALA H 5.078 . 8.301 3.525 3.508 3.544 . 0 0 "[ . 1 . 2]" 1
546 1 12 HIS HB3 1 13 GLU H 6.237 . 11.099 3.449 3.162 3.602 . 0 0 "[ . 1 . 2]" 1
547 1 57 LYS HB2 1 58 LYS H 6.773 . 12.508 3.903 3.513 4.044 . 0 0 "[ . 1 . 2]" 1
548 1 40 LEU HA 1 41 ILE H 6.041 . 10.603 3.569 3.555 3.582 . 0 0 "[ . 1 . 2]" 1
549 1 63 ALA H 1 64 ASN H 5.462 . 9.191 3.018 2.184 4.047 . 0 0 "[ . 1 . 2]" 1
550 1 48 LEU HG 1 49 SER H 6.893 . 12.833 5.182 3.968 5.383 . 0 0 "[ . 1 . 2]" 1
551 1 36 MET H 1 38 ASP H 4.787 . 7.651 4.214 4.051 4.382 . 0 0 "[ . 1 . 2]" 1
552 1 19 LYS H 1 103 ALA H 5.046 . 8.229 6.942 6.400 7.799 . 0 0 "[ . 1 . 2]" 1
553 1 29 GLN H 1 29 GLN HE21 5.267 . 8.734 3.958 3.708 4.677 . 0 0 "[ . 1 . 2]" 1
554 1 20 THR HA 1 23 LEU H 4.342 . 6.699 4.222 4.030 4.400 . 0 0 "[ . 1 . 2]" 1
555 1 35 ALA H 1 38 ASP H 4.287 . 6.585 4.540 4.421 4.714 . 0 0 "[ . 1 . 2]" 1
556 1 54 GLN HB2 1 55 GLU H 4.076 . 6.152 3.965 3.859 4.129 . 0 0 "[ . 1 . 2]" 1
557 1 12 HIS HD2 1 16 GLN HE22 4.507 . 7.046 6.826 6.040 7.126 0.080 6 0 "[ . 1 . 2]" 1
558 1 96 GLU H 1 96 GLU HB3 3.956 . 5.912 3.062 2.498 4.071 . 0 0 "[ . 1 . 2]" 1
559 1 39 GLN H 1 39 GLN HE21 4.713 . 7.489 5.558 3.886 6.116 . 0 0 "[ . 1 . 2]" 1
560 1 60 ARG HG3 1 70 ALA H 3.821 . 5.646 4.161 3.476 5.951 0.305 18 0 "[ . 1 . 2]" 1
561 1 80 GLN QE 1 82 VAL H 4.758 . 6.940 5.182 4.532 5.810 . 0 0 "[ . 1 . 2]" 1
562 1 50 TRP HZ3 1 54 GLN HE22 4.122 . 6.246 2.600 2.369 2.840 . 0 0 "[ . 1 . 2]" 1
563 1 39 GLN HE22 1 84 PHE HE1 4.740 . 7.548 4.092 3.501 4.773 . 0 0 "[ . 1 . 2]" 1
564 1 18 ILE H 1 21 ALA H 3.734 . 5.477 4.946 4.862 5.030 . 0 0 "[ . 1 . 2]" 1
565 1 20 THR MG 1 86 ALA H 4.177 . 6.358 6.587 6.494 6.694 0.336 4 0 "[ . 1 . 2]" 1
566 1 22 PHE H 1 26 ALA H 4.136 . 6.274 6.291 6.215 6.333 0.059 14 0 "[ . 1 . 2]" 1
567 1 16 GLN H 1 19 LYS H 4.308 . 6.628 5.112 4.874 5.214 . 0 0 "[ . 1 . 2]" 1
568 1 54 GLN HA 1 55 GLU H 3.972 . 5.945 3.538 3.491 3.559 . 0 0 "[ . 1 . 2]" 1
569 1 87 GLN H 1 89 PHE H 4.178 . 6.360 3.880 3.694 4.081 . 0 0 "[ . 1 . 2]" 1
570 1 49 SER H 1 52 GLN HB3 3.569 . 5.162 3.108 2.454 4.371 . 0 0 "[ . 1 . 2]" 1
571 1 77 SER H 1 81 TYR H 4.490 . 7.010 6.722 6.408 7.004 . 0 0 "[ . 1 . 2]" 1
572 1 18 ILE H 1 86 ALA H 4.283 . 6.576 5.202 4.938 5.316 . 0 0 "[ . 1 . 2]" 1
573 1 85 ILE HA 1 89 PHE H 3.923 . 5.847 3.905 3.642 4.145 . 0 0 "[ . 1 . 2]" 1
574 1 109 GLN HB3 1 110 LYS H 4.221 . 6.448 3.660 2.335 4.494 . 0 0 "[ . 1 . 2]" 1
575 1 19 LYS H 1 19 LYS QG 3.198 . 4.477 2.309 1.770 3.683 0.149 4 0 "[ . 1 . 2]" 1
576 1 80 GLN QE 1 81 TYR HD1 4.766 . 4.782 4.207 3.490 4.510 . 0 0 "[ . 1 . 2]" 1
577 1 110 LYS H 1 110 LYS HB3 3.710 . 5.430 3.266 2.472 4.097 . 0 0 "[ . 1 . 2]" 1
578 1 60 ARG HG3 1 67 ASP H 3.666 . 5.346 4.287 3.131 6.205 0.859 18 1 "[ . 1 . + 2]" 1
579 1 67 ASP H 1 67 ASP QB . . 3.578 2.495 2.071 2.905 . 0 0 "[ . 1 . 2]" 1
580 1 78 ASP H 1 82 VAL H 3.671 . 5.355 4.813 4.666 5.074 . 0 0 "[ . 1 . 2]" 1
581 1 37 ILE HA 1 66 TYR H 4.493 . 7.016 5.732 5.419 6.128 . 0 0 "[ . 1 . 2]" 1
582 1 29 GLN HE21 1 29 GLN HG3 3.411 . 4.865 2.724 2.212 2.991 . 0 0 "[ . 1 . 2]" 1
583 1 18 ILE HG12 1 82 VAL H 4.209 . 6.423 4.614 4.496 4.842 . 0 0 "[ . 1 . 2]" 1
584 1 65 GLY H 1 66 TYR H 3.375 . 4.799 2.646 2.160 3.085 . 0 0 "[ . 1 . 2]" 1
585 1 111 GLY HA2 1 112 PHE H 3.545 . 5.116 2.796 2.180 3.542 . 0 0 "[ . 1 . 2]" 1
586 1 56 LYS H 1 58 LYS H 3.660 . 5.335 3.966 3.825 4.187 . 0 0 "[ . 1 . 2]" 1
587 1 10 ILE H 1 14 ASP H 4.165 . 6.333 6.564 6.503 6.618 0.285 6 0 "[ . 1 . 2]" 1
588 1 59 GLY HA3 1 60 ARG H 3.479 . 4.992 2.701 2.146 3.519 . 0 0 "[ . 1 . 2]" 1
589 1 60 ARG H 1 65 GLY H 5.618 . 9.563 8.115 6.611 9.397 . 0 0 "[ . 1 . 2]" 1
590 1 27 GLN HB2 1 27 GLN QE 3.754 . 5.516 3.403 2.892 3.694 . 0 0 "[ . 1 . 2]" 1
591 1 29 GLN H 1 30 ASP H 4.362 . 6.741 4.409 4.343 4.475 . 0 0 "[ . 1 . 2]" 1
592 1 34 GLU HA 1 35 ALA H 3.432 . 4.904 3.425 3.364 3.491 . 0 0 "[ . 1 . 2]" 1
593 1 38 ASP H 1 41 ILE H 3.599 . 5.218 4.712 4.648 4.806 . 0 0 "[ . 1 . 2]" 1
594 1 50 TRP HA 1 53 LEU H 3.666 . 5.346 3.269 3.142 3.406 . 0 0 "[ . 1 . 2]" 1
595 1 81 TYR H 1 81 TYR HD1 3.992 . 5.984 4.520 4.341 4.706 . 0 0 "[ . 1 . 2]" 1
596 1 29 GLN H 1 31 LYS H 4.353 . 6.721 4.138 3.815 4.495 . 0 0 "[ . 1 . 2]" 1
597 1 45 PHE H 1 46 PRO QD 4.320 . 4.862 3.750 3.465 4.447 . 0 0 "[ . 1 . 2]" 1
598 1 13 GLU H 1 13 GLU QB . . 3.588 2.444 2.133 2.556 . 0 0 "[ . 1 . 2]" 1
599 1 46 PRO HA 1 48 LEU H 3.399 . 4.843 3.621 3.127 4.916 0.073 5 0 "[ . 1 . 2]" 1
600 1 78 ASP H 1 79 GLU H 3.616 . 5.250 4.084 3.955 4.190 . 0 0 "[ . 1 . 2]" 1
601 1 10 ILE H 1 10 ILE MG 4.022 . 6.044 3.842 3.755 3.896 . 0 0 "[ . 1 . 2]" 1
602 1 78 ASP HA 1 80 GLN H 3.735 . 5.479 3.609 3.399 3.804 . 0 0 "[ . 1 . 2]" 1
603 1 8 VAL QG 1 10 ILE H 3.654 . 5.323 3.286 2.785 3.993 . 0 0 "[ . 1 . 2]" 1
604 1 31 LYS QG 1 32 VAL H 4.496 . 7.023 3.813 3.458 4.068 . 0 0 "[ . 1 . 2]" 1
605 1 56 LYS H 1 57 LYS QD 3.814 . 5.633 4.087 3.746 5.143 . 0 0 "[ . 1 . 2]" 1
606 1 88 HIS H 1 88 HIS HD2 3.666 . 5.346 3.943 3.529 4.644 . 0 0 "[ . 1 . 2]" 1
607 1 64 ASN HB2 1 64 ASN HD21 3.398 . 4.841 3.474 3.415 3.510 . 0 0 "[ . 1 . 2]" 1
608 1 78 ASP HB3 1 79 GLU H 3.684 . 5.381 3.767 3.651 3.926 . 0 0 "[ . 1 . 2]" 1
609 1 63 ALA MB 1 64 ASN HD22 3.776 . 5.558 5.048 4.271 5.751 0.193 10 0 "[ . 1 . 2]" 1
610 1 62 ALA MB 1 65 GLY H 3.815 . 5.634 5.526 4.868 5.848 0.214 16 0 "[ . 1 . 2]" 1
611 1 36 MET ME 1 39 GLN HE22 3.405 . 4.854 3.941 2.682 4.663 . 0 0 "[ . 1 . 2]" 1
612 1 70 ALA MB 1 73 SER H 3.943 . 5.886 4.635 4.536 4.790 . 0 0 "[ . 1 . 2]" 1
613 1 25 TYR HD1 1 26 ALA H 4.245 . 6.497 4.731 4.658 4.802 . 0 0 "[ . 1 . 2]" 1
614 1 11 SER H 1 14 ASP H 3.209 . 4.496 2.858 2.648 2.963 . 0 0 "[ . 1 . 2]" 1
615 1 101 ILE H 1 101 ILE HG13 2.931 . 4.005 3.251 2.721 4.346 0.341 5 0 "[ . 1 . 2]" 1
616 1 102 ASP H 1 105 GLU H 3.698 . 5.407 4.661 2.541 5.554 0.147 13 0 "[ . 1 . 2]" 1
617 1 54 GLN HB3 1 55 GLU H 3.940 . 5.880 3.820 3.741 3.972 . 0 0 "[ . 1 . 2]" 1
618 1 91 CYS QB 1 92 ALA H 3.368 . 4.786 3.197 2.397 3.627 . 0 0 "[ . 1 . 2]" 1
619 1 27 GLN QE 1 33 THR MG 4.462 . 6.149 2.863 2.303 3.582 . 0 0 "[ . 1 . 2]" 1
620 1 18 ILE H 1 91 CYS H 5.663 . 9.672 7.351 6.464 8.006 . 0 0 "[ . 1 . 2]" 1
621 1 84 PHE HA 1 87 GLN H 3.484 . 5.001 3.909 3.734 4.044 . 0 0 "[ . 1 . 2]" 1
622 1 50 TRP HE1 1 64 ASN HD22 3.065 . 4.239 2.847 1.888 3.981 0.003 12 0 "[ . 1 . 2]" 1
623 1 101 ILE H 1 101 ILE MD 3.462 . 4.960 3.589 1.896 4.138 0.068 3 0 "[ . 1 . 2]" 1
624 1 26 ALA H 1 32 VAL HA 3.539 . 5.105 4.438 4.142 4.612 . 0 0 "[ . 1 . 2]" 1
625 1 27 GLN H 1 27 GLN HB2 3.335 . 4.725 2.963 2.830 3.048 . 0 0 "[ . 1 . 2]" 1
626 1 10 ILE H 1 10 ILE MD 4.017 . 6.034 4.034 3.831 4.220 . 0 0 "[ . 1 . 2]" 1
627 1 93 PRO HD3 1 94 GLU H 4.148 . 6.299 4.956 3.734 5.690 . 0 0 "[ . 1 . 2]" 1
628 1 53 LEU MD2 1 54 GLN H 3.395 . 4.836 3.169 2.883 3.495 . 0 0 "[ . 1 . 2]" 1
629 1 39 GLN HE21 1 39 GLN QG 3.324 . 4.705 2.199 2.150 2.829 . 0 0 "[ . 1 . 2]" 1
630 1 70 ALA MB 1 72 PHE H 3.764 . 5.535 4.425 4.307 4.497 . 0 0 "[ . 1 . 2]" 1
631 1 36 MET HA 1 37 ILE H 3.318 . 4.694 3.443 3.417 3.492 . 0 0 "[ . 1 . 2]" 1
632 1 79 GLU QB 1 83 ARG H 3.815 . 5.634 4.621 4.148 5.105 . 0 0 "[ . 1 . 2]" 1
633 1 49 SER H 1 52 GLN H 3.446 . 4.931 3.978 3.453 4.409 . 0 0 "[ . 1 . 2]" 1
634 1 40 LEU MD2 1 41 ILE H 3.553 . 5.131 3.359 3.138 3.547 . 0 0 "[ . 1 . 2]" 1
635 1 15 THR MG 1 16 GLN H 3.835 . 5.673 4.097 3.896 4.211 . 0 0 "[ . 1 . 2]" 1
636 1 67 ASP QB 1 69 SER H 3.154 . 4.397 3.604 2.945 3.821 . 0 0 "[ . 1 . 2]" 1
637 1 25 TYR HB3 1 26 ALA H 3.355 . 4.762 3.147 3.009 3.281 . 0 0 "[ . 1 . 2]" 1
638 1 27 GLN QE 1 29 GLN HE21 . . 2.682 2.600 2.500 2.740 0.058 19 0 "[ . 1 . 2]" 1
639 1 48 LEU H 1 49 SER H 3.842 . 5.687 4.455 4.375 4.614 . 0 0 "[ . 1 . 2]" 1
640 1 78 ASP HB2 1 80 GLN H 4.254 . 6.516 4.712 4.538 5.005 . 0 0 "[ . 1 . 2]" 1
641 1 23 LEU MD1 1 24 SER H 4.124 . 6.250 3.860 3.728 3.988 . 0 0 "[ . 1 . 2]" 1
642 1 103 ALA MB 1 104 LEU H 3.242 . 4.556 2.239 1.849 3.115 0.079 8 0 "[ . 1 . 2]" 1
643 1 33 THR HA 1 35 ALA H 3.779 . 5.564 4.358 4.138 4.577 . 0 0 "[ . 1 . 2]" 1
644 1 27 GLN QG 1 28 GLY H 4.085 . 6.171 4.052 3.610 4.251 . 0 0 "[ . 1 . 2]" 1
645 1 78 ASP H 1 81 TYR HB2 3.311 . 4.682 3.795 3.664 4.083 . 0 0 "[ . 1 . 2]" 1
646 1 101 ILE H 1 105 GLU H 3.989 . 5.978 5.207 3.189 6.098 0.120 12 0 "[ . 1 . 2]" 1
647 1 85 ILE MG 1 89 PHE H 3.341 . 4.736 3.577 3.295 3.899 . 0 0 "[ . 1 . 2]" 1
648 1 89 PHE H 1 90 PRO HD3 3.366 . 4.782 3.867 3.570 4.377 . 0 0 "[ . 1 . 2]" 1
649 1 16 GLN H 1 92 ALA H 4.167 . 6.337 6.216 5.503 6.538 0.201 17 0 "[ . 1 . 2]" 1
650 1 31 LYS H 1 31 LYS QG 3.225 . 4.349 3.269 3.023 3.532 . 0 0 "[ . 1 . 2]" 1
651 1 101 ILE H 1 101 ILE HG12 3.385 . 4.817 2.522 1.856 3.922 0.097 18 0 "[ . 1 . 2]" 1
652 1 37 ILE HA 1 38 ASP H 3.162 . 4.412 3.532 3.497 3.556 . 0 0 "[ . 1 . 2]" 1
653 1 75 VAL HA 1 76 ALA H 3.278 . 4.621 3.529 3.493 3.548 . 0 0 "[ . 1 . 2]" 1
654 1 61 ALA H 1 62 ALA MB 3.964 . 5.928 4.137 3.077 4.553 . 0 0 "[ . 1 . 2]" 1
655 1 76 ALA H 1 82 VAL QG 3.566 . 5.155 4.120 3.887 4.322 . 0 0 "[ . 1 . 2]" 1
656 1 26 ALA H 1 32 VAL MG1 3.482 . 4.998 3.951 3.756 4.496 . 0 0 "[ . 1 . 2]" 1
657 1 32 VAL H 1 33 THR H 3.416 . 4.875 4.322 4.291 4.383 . 0 0 "[ . 1 . 2]" 1
658 1 32 VAL MG2 1 33 THR H 3.576 . 5.174 3.445 3.350 3.551 . 0 0 "[ . 1 . 2]" 1
659 1 53 LEU MD2 1 56 LYS H 3.838 . 5.680 4.651 4.359 4.855 . 0 0 "[ . 1 . 2]" 1
660 1 43 GLY H 1 44 ALA MB 3.840 . 5.683 4.832 4.744 4.893 . 0 0 "[ . 1 . 2]" 1
661 1 52 GLN QE 1 56 LYS HD3 3.555 . 5.135 3.852 2.858 5.487 0.352 14 0 "[ . 1 . 2]" 1
662 1 15 THR H 1 18 ILE MD 3.465 . 4.966 3.610 3.448 3.872 . 0 0 "[ . 1 . 2]" 1
663 1 79 GLU QG 1 80 GLN H 3.813 . 5.630 2.818 2.295 3.953 . 0 0 "[ . 1 . 2]" 1
664 1 86 ALA HA 1 87 GLN H 3.392 . 4.830 3.522 3.484 3.554 . 0 0 "[ . 1 . 2]" 1
665 1 78 ASP HB3 1 81 TYR H 2.988 . 4.104 2.781 2.479 3.001 . 0 0 "[ . 1 . 2]" 1
666 1 16 GLN HA 1 17 ARG H 3.505 . 5.041 3.523 3.491 3.590 . 0 0 "[ . 1 . 2]" 1
667 1 53 LEU MD2 1 57 LYS H 4.278 . 6.566 4.183 3.876 4.558 . 0 0 "[ . 1 . 2]" 1
668 1 81 TYR H 1 83 ARG H 3.293 . 4.649 3.960 3.816 4.058 . 0 0 "[ . 1 . 2]" 1
669 1 27 GLN HB2 1 28 GLY H 3.178 . 4.441 3.100 3.047 3.152 . 0 0 "[ . 1 . 2]" 1
670 1 9 LYS H 1 10 ILE H 3.068 . 4.244 3.090 2.447 3.477 . 0 0 "[ . 1 . 2]" 1
671 1 41 ILE MD 1 45 PHE H 3.726 . 5.461 5.159 4.902 5.447 . 0 0 "[ . 1 . 2]" 1
672 1 81 TYR H 1 82 VAL HB 3.744 . 5.497 5.506 4.262 5.792 0.295 11 0 "[ . 1 . 2]" 1
673 1 18 ILE MG 1 22 PHE H 3.464 . 4.964 4.212 4.127 4.293 . 0 0 "[ . 1 . 2]" 1
674 1 110 LYS H 1 110 LYS HG3 3.342 . 4.738 3.740 2.346 4.890 0.152 5 0 "[ . 1 . 2]" 1
675 1 33 THR H 1 33 THR HB 3.157 . 4.402 3.571 3.550 3.604 . 0 0 "[ . 1 . 2]" 1
676 1 81 TYR HA 1 82 VAL H 3.195 . 4.471 3.538 3.515 3.561 . 0 0 "[ . 1 . 2]" 1
677 1 35 ALA HA 1 36 MET H 3.225 . 4.525 3.575 3.525 3.612 . 0 0 "[ . 1 . 2]" 1
678 1 61 ALA MB 1 66 TYR H 3.291 . 4.645 2.989 2.504 3.391 . 0 0 "[ . 1 . 2]" 1
679 1 50 TRP HE3 1 51 GLU H 3.461 . 4.959 3.708 3.232 4.026 . 0 0 "[ . 1 . 2]" 1
680 1 54 GLN HA 1 57 LYS H 3.530 . 5.088 3.662 3.237 4.009 . 0 0 "[ . 1 . 2]" 1
681 1 93 PRO HB3 1 94 GLU H 3.403 . 4.851 4.057 3.396 4.632 . 0 0 "[ . 1 . 2]" 1
682 1 77 SER HB2 1 78 ASP H 3.407 . 4.858 3.914 3.174 4.289 . 0 0 "[ . 1 . 2]" 1
683 1 59 GLY HA2 1 60 ARG H 3.311 . 4.681 3.464 2.444 3.578 . 0 0 "[ . 1 . 2]" 1
684 1 74 LEU HA 1 75 VAL H 3.380 . 4.808 3.557 3.538 3.574 . 0 0 "[ . 1 . 2]" 1
685 1 21 ALA H 1 89 PHE HB3 3.603 . 5.226 4.549 4.176 4.936 . 0 0 "[ . 1 . 2]" 1
686 1 29 GLN HB3 1 30 ASP H 2.872 . 3.903 2.017 1.826 3.027 0.015 4 0 "[ . 1 . 2]" 1
687 1 42 CYS HA 1 43 GLY H 3.247 . 4.565 3.390 3.291 3.451 . 0 0 "[ . 1 . 2]" 1
688 1 32 VAL H 1 32 VAL MG1 3.475 . 4.985 3.686 3.505 3.740 . 0 0 "[ . 1 . 2]" 1
689 1 21 ALA MB 1 22 PHE H 2.982 . 4.094 2.148 2.108 2.197 . 0 0 "[ . 1 . 2]" 1
690 1 77 SER H 1 81 TYR HD1 3.973 . 5.946 5.134 4.849 5.703 . 0 0 "[ . 1 . 2]" 1
691 1 34 GLU HA 1 38 ASP H 3.666 . 5.346 4.018 3.710 4.203 . 0 0 "[ . 1 . 2]" 1
692 1 25 TYR HA 1 26 ALA H 3.371 . 4.792 3.575 3.564 3.586 . 0 0 "[ . 1 . 2]" 1
693 1 15 THR HB 1 16 GLN H 3.071 . 4.250 2.838 2.583 3.034 . 0 0 "[ . 1 . 2]" 1
694 1 80 GLN HA 1 84 PHE H 3.468 . 4.971 4.059 3.767 4.268 . 0 0 "[ . 1 . 2]" 1
695 1 10 ILE HB 1 11 SER H 3.615 . 5.249 4.418 4.375 4.446 . 0 0 "[ . 1 . 2]" 1
696 1 22 PHE HD1 1 23 LEU H 3.523 . 5.074 4.644 4.545 4.741 . 0 0 "[ . 1 . 2]" 1
697 1 41 ILE HA 1 42 CYS H 3.376 . 4.801 3.563 3.544 3.605 . 0 0 "[ . 1 . 2]" 1
698 1 78 ASP HA 1 80 GLN QE . . 3.576 3.124 2.774 3.527 . 0 0 "[ . 1 . 2]" 1
699 1 10 ILE MG 1 14 ASP H 3.693 . 5.398 3.952 3.731 4.229 . 0 0 "[ . 1 . 2]" 1
700 1 8 VAL H 1 10 ILE HG13 3.093 . 4.289 3.126 2.473 4.301 0.012 10 0 "[ . 1 . 2]" 1
701 1 75 VAL MG1 1 76 ALA H 3.141 . 4.374 3.739 3.637 3.865 . 0 0 "[ . 1 . 2]" 1
702 1 32 VAL H 1 66 TYR HB3 3.060 . 4.230 3.799 3.426 4.106 . 0 0 "[ . 1 . 2]" 1
703 1 49 SER HB3 1 51 GLU H 3.256 . 4.581 3.644 3.217 4.625 0.044 9 0 "[ . 1 . 2]" 1
704 1 26 ALA MB 1 31 LYS H 3.642 . 5.300 5.219 4.993 5.465 0.165 12 0 "[ . 1 . 2]" 1
705 1 23 LEU H 1 23 LEU MD1 3.855 . 5.712 3.165 3.105 3.251 . 0 0 "[ . 1 . 2]" 1
706 1 37 ILE MG 1 38 ASP H 3.195 . 4.471 2.838 2.717 3.069 . 0 0 "[ . 1 . 2]" 1
707 1 77 SER HA 1 78 ASP H 3.319 . 4.696 3.363 3.287 3.517 . 0 0 "[ . 1 . 2]" 1
708 1 53 LEU HG 1 54 GLN H 3.400 . 4.845 4.524 4.252 4.773 . 0 0 "[ . 1 . 2]" 1
709 1 85 ILE H 1 87 GLN H 3.293 . 4.649 3.961 3.846 4.064 . 0 0 "[ . 1 . 2]" 1
710 1 84 PHE HD1 1 85 ILE H 3.894 . 5.789 4.375 4.016 4.661 . 0 0 "[ . 1 . 2]" 1
711 1 80 GLN H 1 80 GLN HG3 3.564 . 5.152 2.887 1.796 4.301 0.180 17 0 "[ . 1 . 2]" 1
712 1 81 TYR HD1 1 82 VAL H 3.893 . 5.788 5.333 5.238 5.392 . 0 0 "[ . 1 . 2]" 1
713 1 55 GLU HA 1 58 LYS H 3.176 . 4.437 3.062 2.812 3.379 . 0 0 "[ . 1 . 2]" 1
714 1 83 ARG QB 1 86 ALA H 3.647 . 5.310 4.745 4.617 4.920 . 0 0 "[ . 1 . 2]" 1
715 1 80 GLN QB 1 81 TYR H 3.580 . 3.606 3.060 2.663 3.593 . 0 0 "[ . 1 . 2]" 1
716 1 79 GLU QB 1 80 GLN H 3.682 . 5.376 3.366 2.891 3.602 . 0 0 "[ . 1 . 2]" 1
717 1 15 THR HA 1 18 ILE H 2.966 . 4.066 3.424 3.225 3.962 . 0 0 "[ . 1 . 2]" 1
718 1 9 LYS H 1 9 LYS QG 2.727 . 3.656 2.679 2.264 4.115 0.459 6 0 "[ . 1 . 2]" 1
719 1 52 GLN H 1 54 GLN H 3.405 . 4.854 4.153 4.008 4.284 . 0 0 "[ . 1 . 2]" 1
720 1 12 HIS HA 1 13 GLU H 3.218 . 4.513 3.499 3.474 3.530 . 0 0 "[ . 1 . 2]" 1
721 1 33 THR H 1 36 MET QB 3.042 . 4.199 4.074 3.586 4.183 . 0 0 "[ . 1 . 2]" 1
722 1 55 GLU QG 1 56 LYS H 2.784 . 3.753 2.399 2.132 3.628 . 0 0 "[ . 1 . 2]" 1
723 1 64 ASN HA 1 64 ASN HD21 2.489 . 3.264 1.824 1.578 2.758 0.136 16 0 "[ . 1 . 2]" 1
724 1 38 ASP HA 1 39 GLN H 3.166 . 4.419 3.527 3.497 3.577 . 0 0 "[ . 1 . 2]" 1
725 1 17 ARG HA 1 20 THR H 3.195 . 4.471 3.895 3.535 4.078 . 0 0 "[ . 1 . 2]" 1
726 1 88 HIS QB 1 89 PHE H 3.574 . 5.171 3.106 2.518 3.867 . 0 0 "[ . 1 . 2]" 1
727 1 32 VAL H 1 66 TYR HB2 3.013 . 4.148 4.145 3.860 4.235 0.087 12 0 "[ . 1 . 2]" 1
728 1 18 ILE HA 1 21 ALA H 2.996 . 4.118 3.994 3.930 4.078 . 0 0 "[ . 1 . 2]" 1
729 1 94 GLU H 1 95 GLU H 2.956 . 4.048 3.349 1.891 4.330 0.282 7 0 "[ . 1 . 2]" 1
730 1 41 ILE MD 1 42 CYS H 3.612 . 5.243 4.848 4.797 4.932 . 0 0 "[ . 1 . 2]" 1
731 1 17 ARG H 1 91 CYS HA 3.547 . 5.120 3.648 3.248 5.345 0.225 17 0 "[ . 1 . 2]" 1
732 1 22 PHE H 1 22 PHE HD1 4.054 . 6.108 4.938 4.795 4.978 . 0 0 "[ . 1 . 2]" 1
733 1 81 TYR HB3 1 82 VAL H 3.315 . 4.689 3.458 3.321 3.563 . 0 0 "[ . 1 . 2]" 1
734 1 43 GLY HA3 1 44 ALA H 2.803 . 3.785 2.711 2.649 2.768 . 0 0 "[ . 1 . 2]" 1
735 1 27 GLN QE 1 31 LYS H . . 2.928 2.943 2.829 3.017 0.089 10 0 "[ . 1 . 2]" 1
736 1 51 GLU HA 1 52 GLN H 3.211 . 4.499 3.543 3.503 3.584 . 0 0 "[ . 1 . 2]" 1
737 1 53 LEU HB3 1 54 GLN H 2.817 . 3.809 2.703 2.593 2.791 . 0 0 "[ . 1 . 2]" 1
738 1 100 GLU HB3 1 101 ILE H 2.948 . 4.034 2.866 1.703 4.589 0.555 15 2 "[ . 1 + - 2]" 1
739 1 34 GLU H 1 34 GLU HA 2.875 . 3.908 2.786 2.770 2.811 . 0 0 "[ . 1 . 2]" 1
740 1 40 LEU HA 1 43 GLY H 3.048 . 4.210 3.566 3.387 3.701 . 0 0 "[ . 1 . 2]" 1
741 1 16 GLN HB2 1 16 GLN HE22 3.534 . 5.095 3.786 3.336 4.276 . 0 0 "[ . 1 . 2]" 1
742 1 49 SER H 1 49 SER HB2 3.348 . 4.749 2.716 2.452 3.608 . 0 0 "[ . 1 . 2]" 1
743 1 84 PHE H 1 86 ALA H 3.208 . 4.494 4.158 4.056 4.215 . 0 0 "[ . 1 . 2]" 1
744 1 39 GLN HA 1 42 CYS H 3.183 . 4.449 4.129 3.840 4.457 0.008 16 0 "[ . 1 . 2]" 1
745 1 67 ASP H 1 70 ALA H 3.038 . 4.192 3.620 3.355 3.984 . 0 0 "[ . 1 . 2]" 1
746 1 9 LYS H 1 79 GLU QB 2.819 . 3.812 3.048 2.589 3.676 . 0 0 "[ . 1 . 2]" 1
747 1 75 VAL MG2 1 76 ALA H 3.573 . 5.169 3.706 3.622 3.790 . 0 0 "[ . 1 . 2]" 1
748 1 25 TYR HB2 1 26 ALA H 2.916 . 3.979 2.725 2.602 2.851 . 0 0 "[ . 1 . 2]" 1
749 1 95 GLU H 1 95 GLU HG3 3.068 . 4.245 3.338 1.853 4.531 0.286 17 0 "[ . 1 . 2]" 1
750 1 68 ARG HB3 1 69 SER H 3.512 . 5.054 4.134 4.044 4.239 . 0 0 "[ . 1 . 2]" 1
751 1 47 GLY HA2 1 48 LEU H 3.040 . 4.195 2.897 2.284 3.355 . 0 0 "[ . 1 . 2]" 1
752 1 13 GLU HA 1 14 ASP H 3.107 . 4.314 3.560 3.527 3.587 . 0 0 "[ . 1 . 2]" 1
753 1 19 LYS HA 1 20 THR H 3.159 . 4.407 3.536 3.517 3.555 . 0 0 "[ . 1 . 2]" 1
754 1 22 PHE H 1 23 LEU HG 3.624 . 5.266 4.690 4.560 4.862 . 0 0 "[ . 1 . 2]" 1
755 1 47 GLY H 1 47 GLY HA3 2.979 . 4.088 2.681 2.284 2.939 . 0 0 "[ . 1 . 2]" 1
756 1 76 ALA HA 1 78 ASP H 3.199 . 4.478 3.966 3.731 4.480 0.002 15 0 "[ . 1 . 2]" 1
757 1 90 PRO HB3 1 91 CYS H 2.995 . 4.116 3.091 2.709 3.472 . 0 0 "[ . 1 . 2]" 1
758 1 28 GLY HA2 1 29 GLN H 2.856 . 3.876 3.406 3.336 3.459 . 0 0 "[ . 1 . 2]" 1
759 1 17 ARG QD 1 86 ALA H 3.175 . 4.435 4.104 3.743 4.348 . 0 0 "[ . 1 . 2]" 1
760 1 11 SER H 1 14 ASP HB2 2.288 . 2.942 1.872 1.682 2.120 . 0 0 "[ . 1 . 2]" 1
761 1 67 ASP H 1 71 PHE H 3.039 . 4.193 3.374 2.981 3.972 . 0 0 "[ . 1 . 2]" 1
762 1 57 LYS H 1 57 LYS HB3 3.400 . 4.845 3.572 3.450 3.670 . 0 0 "[ . 1 . 2]" 1
763 1 32 VAL H 1 32 VAL HA 2.802 . 3.783 2.928 2.922 2.935 . 0 0 "[ . 1 . 2]" 1
764 1 16 GLN H 1 16 GLN HA 2.990 . 4.107 2.796 2.756 2.827 . 0 0 "[ . 1 . 2]" 1
765 1 40 LEU H 1 40 LEU HG 3.449 . 4.936 4.421 4.391 4.446 . 0 0 "[ . 1 . 2]" 1
766 1 14 ASP H 1 14 ASP HA 2.709 . 3.626 2.845 2.825 2.861 . 0 0 "[ . 1 . 2]" 1
767 1 25 TYR H 1 28 GLY H 3.141 . 4.374 4.440 4.417 4.467 0.093 17 0 "[ . 1 . 2]" 1
768 1 32 VAL HB 1 66 TYR H 3.060 . 4.231 3.733 3.375 4.128 . 0 0 "[ . 1 . 2]" 1
769 1 47 GLY HA3 1 48 LEU H 3.214 . 4.505 3.437 3.197 3.497 . 0 0 "[ . 1 . 2]" 1
770 1 53 LEU H 1 55 GLU QG 3.070 . 4.248 4.088 3.879 4.165 . 0 0 "[ . 1 . 2]" 1
771 1 50 TRP H 1 50 TRP HA 2.979 . 4.088 2.786 2.760 2.803 . 0 0 "[ . 1 . 2]" 1
772 1 76 ALA MB 1 77 SER H 3.035 . 4.187 3.081 2.831 3.349 . 0 0 "[ . 1 . 2]" 1
773 1 35 ALA H 1 35 ALA HA 2.941 . 4.022 2.814 2.750 2.855 . 0 0 "[ . 1 . 2]" 1
774 1 81 TYR HB2 1 82 VAL H 2.682 . 3.581 2.735 2.594 2.802 . 0 0 "[ . 1 . 2]" 1
775 1 66 TYR H 1 66 TYR HA 2.889 . 3.932 2.850 2.825 2.880 . 0 0 "[ . 1 . 2]" 1
776 1 75 VAL H 1 75 VAL HA 2.826 . 3.824 2.831 2.816 2.857 . 0 0 "[ . 1 . 2]" 1
777 1 91 CYS H 1 91 CYS HA 2.750 . 3.695 2.846 2.777 2.943 . 0 0 "[ . 1 . 2]" 1
778 1 42 CYS HA 1 45 PHE H 2.942 . 4.024 3.834 3.440 4.039 0.015 9 0 "[ . 1 . 2]" 1
779 1 36 MET HA 1 39 GLN H 3.017 . 4.155 3.131 2.809 3.334 . 0 0 "[ . 1 . 2]" 1
780 1 92 ALA H 1 92 ALA HA 2.910 . 3.969 2.854 2.715 2.947 . 0 0 "[ . 1 . 2]" 1
781 1 51 GLU H 1 51 GLU HG2 2.975 . 4.082 2.873 2.099 3.531 . 0 0 "[ . 1 . 2]" 1
782 1 8 VAL QG 1 79 GLU H 3.133 . 4.360 2.923 2.366 3.307 . 0 0 "[ . 1 . 2]" 1
783 1 109 GLN H 1 109 GLN HG3 3.019 . 4.158 3.422 2.025 4.549 0.391 17 0 "[ . 1 . 2]" 1
784 1 21 ALA HA 1 24 SER H 3.076 . 4.258 3.950 3.873 4.115 . 0 0 "[ . 1 . 2]" 1
785 1 49 SER H 1 52 GLN HG3 3.393 . 4.832 4.383 3.110 4.981 0.149 12 0 "[ . 1 . 2]" 1
786 1 15 THR H 1 15 THR MG 3.197 . 4.474 3.418 3.292 3.710 . 0 0 "[ . 1 . 2]" 1
787 1 8 VAL H 1 8 VAL HA 2.898 . 3.948 2.888 2.809 2.925 . 0 0 "[ . 1 . 2]" 1
788 1 14 ASP H 1 16 GLN H 2.935 . 4.012 4.001 3.889 4.060 0.048 20 0 "[ . 1 . 2]" 1
789 1 45 PHE H 1 45 PHE HB3 3.143 . 4.378 3.609 3.529 3.744 . 0 0 "[ . 1 . 2]" 1
790 1 24 SER QB 1 25 TYR H 3.403 . 4.850 3.124 2.816 3.570 . 0 0 "[ . 1 . 2]" 1
791 1 44 ALA HA 1 45 PHE H 3.214 . 4.505 3.553 3.516 3.579 . 0 0 "[ . 1 . 2]" 1
792 1 34 GLU HA 1 37 ILE H 3.469 . 4.973 3.321 3.027 3.770 . 0 0 "[ . 1 . 2]" 1
793 1 27 GLN QE 1 27 GLN QG 3.380 . 4.282 2.146 2.072 2.166 . 0 0 "[ . 1 . 2]" 1
794 1 33 THR MG 1 34 GLU H 3.587 . 5.196 3.553 3.434 3.720 . 0 0 "[ . 1 . 2]" 1
795 1 16 GLN HB2 1 16 GLN HE21 2.590 . 3.429 2.743 1.693 3.699 0.270 1 0 "[ . 1 . 2]" 1
796 1 29 GLN HB3 1 31 LYS H 3.485 . 5.003 3.474 3.157 4.603 . 0 0 "[ . 1 . 2]" 1
797 1 10 ILE MG 1 11 SER H 3.448 . 4.934 3.327 3.152 3.422 . 0 0 "[ . 1 . 2]" 1
798 1 103 ALA H 1 103 ALA MB 3.290 . 4.643 2.351 2.060 2.757 . 0 0 "[ . 1 . 2]" 1
799 1 36 MET QB 1 37 ILE H 2.980 . 4.090 2.957 2.904 3.069 . 0 0 "[ . 1 . 2]" 1
800 1 39 GLN H 1 39 GLN QG 3.215 . 4.507 3.599 2.786 4.053 . 0 0 "[ . 1 . 2]" 1
801 1 56 LYS H 1 56 LYS QB . . 2.557 2.138 2.069 2.256 . 0 0 "[ . 1 . 2]" 1
802 1 34 GLU H 1 35 ALA H 2.844 . 3.855 2.788 2.655 2.904 . 0 0 "[ . 1 . 2]" 1
803 1 85 ILE HA 1 88 HIS H 2.930 . 4.003 3.162 2.931 3.308 . 0 0 "[ . 1 . 2]" 1
804 1 89 PHE H 1 89 PHE HA 2.873 . 3.905 2.902 2.852 2.931 . 0 0 "[ . 1 . 2]" 1
805 1 47 GLY H 1 48 LEU H 2.802 . 3.784 2.747 2.193 3.952 0.168 5 0 "[ . 1 . 2]" 1
806 1 56 LYS H 1 57 LYS QG 3.515 . 5.059 4.039 3.449 4.496 . 0 0 "[ . 1 . 2]" 1
807 1 63 ALA H 1 64 ASN HA 3.918 . 5.837 4.968 4.162 5.773 . 0 0 "[ . 1 . 2]" 1
808 1 53 LEU H 1 53 LEU MD2 3.478 . 4.990 4.060 3.943 4.201 . 0 0 "[ . 1 . 2]" 1
809 1 48 LEU HB3 1 53 LEU H 2.892 . 3.937 3.267 2.995 3.662 . 0 0 "[ . 1 . 2]" 1
810 1 37 ILE H 1 37 ILE HA 2.759 . 3.711 2.855 2.842 2.872 . 0 0 "[ . 1 . 2]" 1
811 1 45 PHE H 1 45 PHE HB2 2.942 . 4.024 3.389 2.937 3.620 . 0 0 "[ . 1 . 2]" 1
812 1 79 GLU H 1 79 GLU QG 3.619 . 5.256 3.195 2.602 4.039 . 0 0 "[ . 1 . 2]" 1
813 1 78 ASP H 1 78 ASP HB2 2.682 . 3.581 2.498 2.356 2.579 . 0 0 "[ . 1 . 2]" 1
814 1 9 LYS H 1 9 LYS HA 2.720 . 3.645 2.881 2.837 2.933 . 0 0 "[ . 1 . 2]" 1
815 1 29 GLN H 1 29 GLN HA 2.798 . 3.776 2.880 2.851 2.915 . 0 0 "[ . 1 . 2]" 1
816 1 56 LYS H 1 56 LYS HA 2.816 . 3.807 2.750 2.724 2.768 . 0 0 "[ . 1 . 2]" 1
817 1 8 VAL QG 1 78 ASP H 3.079 . 4.264 3.740 3.089 4.175 . 0 0 "[ . 1 . 2]" 1
818 1 18 ILE H 1 18 ILE HA 2.824 . 3.821 2.786 2.770 2.799 . 0 0 "[ . 1 . 2]" 1
819 1 51 GLU H 1 51 GLU HB3 2.972 . 4.076 3.594 3.576 3.613 . 0 0 "[ . 1 . 2]" 1
820 1 22 PHE H 1 22 PHE HB2 3.329 . 4.714 2.817 2.631 2.907 . 0 0 "[ . 1 . 2]" 1
821 1 39 GLN H 1 41 ILE H 3.014 . 4.149 4.238 4.202 4.278 0.129 5 0 "[ . 1 . 2]" 1
822 1 78 ASP H 1 78 ASP HB3 3.342 . 4.738 3.665 3.557 3.731 . 0 0 "[ . 1 . 2]" 1
823 1 85 ILE MG 1 86 ALA H 3.028 . 4.174 2.846 2.695 2.961 . 0 0 "[ . 1 . 2]" 1
824 1 32 VAL H 1 66 TYR H 2.784 . 3.753 3.353 2.488 3.729 . 0 0 "[ . 1 . 2]" 1
825 1 75 VAL H 1 77 SER H 2.997 . 4.120 4.100 3.994 4.202 0.082 15 0 "[ . 1 . 2]" 1
826 1 18 ILE HA 1 19 LYS H 2.777 . 3.741 3.580 3.535 3.605 . 0 0 "[ . 1 . 2]" 1
827 1 22 PHE HE1 1 32 VAL H 3.088 . 4.280 3.385 3.132 3.527 . 0 0 "[ . 1 . 2]" 1
828 1 88 HIS H 1 88 HIS QB . . 3.144 2.357 2.017 2.547 . 0 0 "[ . 1 . 2]" 1
829 1 25 TYR H 1 25 TYR HA 2.977 . 4.085 2.828 2.818 2.840 . 0 0 "[ . 1 . 2]" 1
830 1 88 HIS H 1 88 HIS HA 2.859 . 3.881 2.868 2.808 2.917 . 0 0 "[ . 1 . 2]" 1
831 1 105 GLU H 1 105 GLU QB 3.252 . 4.574 2.758 2.194 3.376 . 0 0 "[ . 1 . 2]" 1
832 1 22 PHE H 1 71 PHE HZ 3.377 . 4.803 4.473 4.233 4.670 . 0 0 "[ . 1 . 2]" 1
833 1 57 LYS QG 1 58 LYS H 3.650 . 5.315 4.046 3.300 4.318 . 0 0 "[ . 1 . 2]" 1
834 1 37 ILE H 1 37 ILE MD 3.108 . 4.315 2.921 2.680 3.186 . 0 0 "[ . 1 . 2]" 1
835 1 36 MET H 1 36 MET HA 2.808 . 3.793 2.824 2.811 2.843 . 0 0 "[ . 1 . 2]" 1
836 1 10 ILE H 1 10 ILE HG12 3.305 . 4.671 3.972 3.709 4.133 . 0 0 "[ . 1 . 2]" 1
837 1 10 ILE H 1 10 ILE HB 2.805 . 3.789 2.661 2.450 2.781 . 0 0 "[ . 1 . 2]" 1
838 1 18 ILE H 1 85 ILE MG 3.047 . 4.208 3.370 3.238 3.493 . 0 0 "[ . 1 . 2]" 1
839 1 99 PRO HA 1 100 GLU H 2.746 . 3.689 2.925 2.138 3.573 . 0 0 "[ . 1 . 2]" 1
840 1 34 GLU QB 1 35 ALA H 3.321 . 4.700 3.211 3.002 3.688 . 0 0 "[ . 1 . 2]" 1
841 1 49 SER H 1 49 SER HA 2.857 . 3.877 2.854 2.803 2.885 . 0 0 "[ . 1 . 2]" 1
842 1 25 TYR H 1 25 TYR HB2 2.691 . 3.596 2.205 2.163 2.262 . 0 0 "[ . 1 . 2]" 1
843 1 60 ARG H 1 60 ARG HA 2.782 . 3.750 2.878 2.227 2.945 . 0 0 "[ . 1 . 2]" 1
844 1 70 ALA H 1 72 PHE H 2.955 . 4.047 4.104 4.059 4.135 0.088 13 0 "[ . 1 . 2]" 1
845 1 60 ARG H 1 60 ARG HG3 3.446 . 4.930 4.267 1.961 4.784 0.001 18 0 "[ . 1 . 2]" 1
846 1 40 LEU H 1 41 ILE H 2.756 . 3.706 2.700 2.655 2.747 . 0 0 "[ . 1 . 2]" 1
847 1 55 GLU H 1 55 GLU QG 2.546 . 3.356 2.066 1.867 2.269 . 0 0 "[ . 1 . 2]" 1
848 1 41 ILE MG 1 42 CYS H 2.983 . 4.095 3.237 3.047 3.333 . 0 0 "[ . 1 . 2]" 1
849 1 26 ALA MB 1 29 GLN H 3.567 . 5.157 4.646 4.521 4.802 . 0 0 "[ . 1 . 2]" 1
850 1 32 VAL MG1 1 37 ILE H 2.696 . 3.604 2.614 2.440 2.767 . 0 0 "[ . 1 . 2]" 1
851 1 79 GLU H 1 80 GLN H 2.713 . 3.633 2.676 2.634 2.736 . 0 0 "[ . 1 . 2]" 1
852 1 38 ASP QB 1 39 GLN H 3.077 . 3.840 2.611 2.465 2.784 . 0 0 "[ . 1 . 2]" 1
853 1 33 THR H 1 33 THR HA 2.604 . 3.451 2.837 2.814 2.857 . 0 0 "[ . 1 . 2]" 1
854 1 46 PRO HA 1 47 GLY H 2.773 . 3.734 2.675 2.221 3.337 . 0 0 "[ . 1 . 2]" 1
855 1 22 PHE H 1 23 LEU H 2.768 . 3.726 3.160 3.097 3.198 . 0 0 "[ . 1 . 2]" 1
856 1 82 VAL H 1 82 VAL HA 2.580 . 3.412 2.776 2.751 2.796 . 0 0 "[ . 1 . 2]" 1
857 1 86 ALA H 1 86 ALA HA 2.660 . 3.544 2.740 2.719 2.770 . 0 0 "[ . 1 . 2]" 1
858 1 76 ALA HA 1 77 SER H 2.772 . 3.732 3.376 3.226 3.468 . 0 0 "[ . 1 . 2]" 1
859 1 29 GLN HB2 1 31 LYS H 2.515 . 3.306 2.515 2.193 3.018 . 0 0 "[ . 1 . 2]" 1
860 1 69 SER H 1 69 SER HB3 2.840 . 3.848 3.000 2.434 3.610 . 0 0 "[ . 1 . 2]" 1
861 1 72 PHE QB 1 73 SER H 3.416 . 3.891 2.697 2.576 2.785 . 0 0 "[ . 1 . 2]" 1
862 1 67 ASP H 1 67 ASP HA 2.593 . 3.433 2.901 2.851 2.918 . 0 0 "[ . 1 . 2]" 1
863 1 11 SER H 1 14 ASP HB3 3.585 . 5.192 3.285 3.085 3.517 . 0 0 "[ . 1 . 2]" 1
864 1 83 ARG H 1 84 PHE H 2.590 . 3.429 2.597 2.496 2.664 . 0 0 "[ . 1 . 2]" 1
865 1 12 HIS H 1 12 HIS HA 2.760 . 3.712 2.784 2.767 2.804 . 0 0 "[ . 1 . 2]" 1
866 1 27 GLN H 1 27 GLN QG 2.774 . 3.736 2.719 2.315 2.957 . 0 0 "[ . 1 . 2]" 1
867 1 69 SER HA 1 70 ALA H 2.964 . 4.062 3.544 3.512 3.565 . 0 0 "[ . 1 . 2]" 1
868 1 16 GLN HB2 1 92 ALA H 3.286 . 4.636 4.086 3.530 5.045 0.409 8 0 "[ . 1 . 2]" 1
869 1 78 ASP H 1 78 ASP HA 2.733 . 3.666 2.941 2.927 2.947 . 0 0 "[ . 1 . 2]" 1
870 1 79 GLU H 1 79 GLU HA 2.737 . 3.673 2.821 2.809 2.829 . 0 0 "[ . 1 . 2]" 1
871 1 85 ILE H 1 85 ILE HA 2.723 . 3.650 2.879 2.873 2.885 . 0 0 "[ . 1 . 2]" 1
872 1 67 ASP QB 1 68 ARG H . . 2.993 2.734 2.503 3.098 0.105 16 0 "[ . 1 . 2]" 1
873 1 81 TYR H 1 81 TYR HA 2.656 . 3.538 2.883 2.868 2.894 . 0 0 "[ . 1 . 2]" 1
874 1 104 LEU H 1 104 LEU HB3 2.589 . 3.427 3.645 2.523 4.089 0.662 3 3 "[ + . 1* - . 2]" 1
875 1 12 HIS H 1 13 GLU H 2.626 . 3.488 2.711 2.625 2.787 . 0 0 "[ . 1 . 2]" 1
876 1 65 GLY H 1 65 GLY QA 2.658 . 3.518 2.435 2.325 2.522 . 0 0 "[ . 1 . 2]" 1
877 1 86 ALA H 1 87 GLN H 2.695 . 3.603 2.869 2.777 2.940 . 0 0 "[ . 1 . 2]" 1
878 1 64 ASN HA 1 64 ASN HD22 3.866 . 5.735 3.336 3.189 3.691 . 0 0 "[ . 1 . 2]" 1
879 1 66 TYR HD1 1 71 PHE H 3.294 . 4.650 4.618 4.467 4.687 0.037 14 0 "[ . 1 . 2]" 1
880 1 50 TRP H 1 50 TRP HB2 2.736 . 3.672 2.502 2.372 2.596 . 0 0 "[ . 1 . 2]" 1
881 1 18 ILE MG 1 19 LYS H 3.007 . 4.137 3.301 3.187 3.406 . 0 0 "[ . 1 . 2]" 1
882 1 38 ASP H 1 39 GLN H 2.632 . 3.498 2.666 2.511 2.830 . 0 0 "[ . 1 . 2]" 1
883 1 21 ALA H 1 21 ALA HA 2.738 . 3.675 2.841 2.835 2.846 . 0 0 "[ . 1 . 2]" 1
884 1 32 VAL MG1 1 33 THR H 2.499 . 3.280 2.464 2.236 2.785 . 0 0 "[ . 1 . 2]" 1
885 1 53 LEU H 1 54 GLN H 2.685 . 3.586 2.459 2.425 2.488 . 0 0 "[ . 1 . 2]" 1
886 1 41 ILE HB 1 42 CYS H 2.635 . 3.503 2.736 2.556 2.854 . 0 0 "[ . 1 . 2]" 1
887 1 17 ARG H 1 18 ILE H 2.711 . 3.630 2.800 2.668 2.924 . 0 0 "[ . 1 . 2]" 1
888 1 42 CYS QB 1 43 GLY H 2.819 . 3.812 3.059 2.877 3.627 . 0 0 "[ . 1 . 2]" 1
889 1 14 ASP HB3 1 15 THR H 3.141 . 4.375 3.537 2.936 3.793 . 0 0 "[ . 1 . 2]" 1
890 1 48 LEU H 1 48 LEU HB3 3.218 . 4.513 3.634 3.565 3.686 . 0 0 "[ . 1 . 2]" 1
891 1 82 VAL H 1 83 ARG H 2.532 . 3.334 2.697 2.605 2.797 . 0 0 "[ . 1 . 2]" 1
892 1 39 GLN H 1 39 GLN HA 2.802 . 3.783 2.794 2.768 2.823 . 0 0 "[ . 1 . 2]" 1
893 1 97 LYS H 1 97 LYS HB3 2.806 . 3.790 3.352 2.429 4.046 0.256 8 0 "[ . 1 . 2]" 1
894 1 71 PHE H 1 72 PHE H 2.697 . 3.606 2.728 2.617 2.795 . 0 0 "[ . 1 . 2]" 1
895 1 24 SER H 1 24 SER HA 2.578 . 3.409 2.811 2.778 2.826 . 0 0 "[ . 1 . 2]" 1
896 1 28 GLY H 1 29 GLN H 2.425 . 3.160 2.562 2.507 2.656 . 0 0 "[ . 1 . 2]" 1
897 1 105 GLU H 1 105 GLU HA 2.565 . 3.388 2.683 2.238 2.942 . 0 0 "[ . 1 . 2]" 1
898 1 11 SER H 1 11 SER HB2 2.537 . 3.341 2.662 2.457 3.584 0.243 15 0 "[ . 1 . 2]" 1
899 1 84 PHE H 1 85 ILE H 2.668 . 3.558 2.738 2.696 2.764 . 0 0 "[ . 1 . 2]" 1
900 1 44 ALA H 1 44 ALA HA 2.862 . 3.886 2.928 2.914 2.943 . 0 0 "[ . 1 . 2]" 1
901 1 72 PHE H 1 72 PHE QB 2.630 . 3.494 2.284 2.270 2.314 . 0 0 "[ . 1 . 2]" 1
902 1 51 GLU H 1 51 GLU HA 2.704 . 3.618 2.800 2.764 2.839 . 0 0 "[ . 1 . 2]" 1
903 1 83 ARG H 1 85 ILE H 3.115 . 4.328 4.401 4.366 4.455 0.127 4 0 "[ . 1 . 2]" 1
904 1 51 GLU H 1 52 GLN H 2.654 . 3.534 2.765 2.568 2.882 . 0 0 "[ . 1 . 2]" 1
905 1 23 LEU HB3 1 24 SER H 3.348 . 4.749 3.416 3.356 3.530 . 0 0 "[ . 1 . 2]" 1
906 1 75 VAL HB 1 76 ALA H 2.639 . 3.509 2.702 2.623 2.849 . 0 0 "[ . 1 . 2]" 1
907 1 33 THR HB 1 34 GLU H 2.644 . 3.518 2.329 2.022 2.542 . 0 0 "[ . 1 . 2]" 1
908 1 81 TYR H 1 81 TYR HB3 3.302 . 4.665 3.542 3.503 3.567 . 0 0 "[ . 1 . 2]" 1
909 1 52 GLN H 1 52 GLN HA 2.678 . 3.575 2.836 2.798 2.851 . 0 0 "[ . 1 . 2]" 1
910 1 20 THR HB 1 21 ALA H 2.938 . 4.017 3.939 3.863 4.044 0.027 19 0 "[ . 1 . 2]" 1
911 1 101 ILE HA 1 102 ASP H 2.705 . 3.620 3.310 2.525 3.569 . 0 0 "[ . 1 . 2]" 1
912 1 54 GLN H 1 54 GLN HB2 3.084 . 4.273 3.580 3.560 3.592 . 0 0 "[ . 1 . 2]" 1
913 1 40 LEU H 1 40 LEU HB2 2.593 . 3.433 2.597 2.501 2.673 . 0 0 "[ . 1 . 2]" 1
914 1 15 THR H 1 15 THR HA 2.639 . 3.510 2.813 2.779 2.841 . 0 0 "[ . 1 . 2]" 1
915 1 14 ASP H 1 14 ASP HB2 2.495 . 3.273 2.412 2.167 2.534 . 0 0 "[ . 1 . 2]" 1
916 1 16 GLN H 1 17 ARG H 2.566 . 3.389 2.670 2.513 2.864 . 0 0 "[ . 1 . 2]" 1
917 1 20 THR H 1 20 THR HA 2.683 . 3.583 2.769 2.750 2.787 . 0 0 "[ . 1 . 2]" 1
918 1 36 MET H 1 36 MET HG3 3.355 . 4.762 3.910 3.691 4.319 . 0 0 "[ . 1 . 2]" 1
919 1 15 THR H 1 16 GLN H 2.599 . 3.443 2.663 2.571 2.755 . 0 0 "[ . 1 . 2]" 1
920 1 40 LEU H 1 40 LEU HA 2.696 . 3.604 2.832 2.811 2.854 . 0 0 "[ . 1 . 2]" 1
921 1 50 TRP HB3 1 51 GLU H 2.592 . 3.432 2.754 2.556 2.934 . 0 0 "[ . 1 . 2]" 1
922 1 58 LYS H 1 58 LYS HA 2.630 . 3.495 2.781 2.713 2.849 . 0 0 "[ . 1 . 2]" 1
923 1 77 SER H 1 77 SER HA 2.740 . 3.679 2.933 2.912 2.944 . 0 0 "[ . 1 . 2]" 1
924 1 72 PHE H 1 72 PHE HA 2.710 . 3.628 2.822 2.815 2.833 . 0 0 "[ . 1 . 2]" 1
925 1 83 ARG HA 1 85 ILE H 2.935 . 4.012 4.184 4.121 4.265 0.253 5 0 "[ . 1 . 2]" 1
926 1 35 ALA H 1 36 MET H 2.624 . 3.485 2.798 2.638 2.958 . 0 0 "[ . 1 . 2]" 1
927 1 85 ILE H 1 86 ALA H 2.590 . 3.429 2.545 2.492 2.628 . 0 0 "[ . 1 . 2]" 1
928 1 72 PHE H 1 73 SER H 2.645 . 3.520 2.594 2.526 2.644 . 0 0 "[ . 1 . 2]" 1
929 1 48 LEU H 1 48 LEU QD 3.421 . 4.711 3.086 2.067 3.305 . 0 0 "[ . 1 . 2]" 1
930 1 71 PHE H 1 71 PHE QB 2.706 . 3.268 2.208 2.121 2.251 . 0 0 "[ . 1 . 2]" 1
931 1 27 GLN HA 1 28 GLY H 2.919 . 3.984 3.442 3.431 3.454 . 0 0 "[ . 1 . 2]" 1
932 1 22 PHE HA 1 23 LEU H 2.703 . 3.616 3.596 3.584 3.612 . 0 0 "[ . 1 . 2]" 1
933 1 64 ASN HA 1 65 GLY H 2.430 . 3.168 2.106 2.022 2.300 . 0 0 "[ . 1 . 2]" 1
934 1 44 ALA MB 1 45 PHE H 2.745 . 3.687 2.323 2.028 2.612 . 0 0 "[ . 1 . 2]" 1
935 1 71 PHE H 1 71 PHE HA 2.698 . 3.608 2.792 2.771 2.822 . 0 0 "[ . 1 . 2]" 1
936 1 45 PHE H 1 45 PHE HD1 2.982 . 4.093 2.417 2.214 2.856 . 0 0 "[ . 1 . 2]" 1
937 1 53 LEU H 1 54 GLN HB3 3.228 . 4.531 4.648 4.590 4.681 0.150 13 0 "[ . 1 . 2]" 1
938 1 42 CYS H 1 42 CYS HA 2.666 . 3.554 2.866 2.851 2.880 . 0 0 "[ . 1 . 2]" 1
939 1 74 LEU H 1 74 LEU HB3 2.529 . 3.328 2.493 2.406 2.638 . 0 0 "[ . 1 . 2]" 1
940 1 66 TYR H 1 66 TYR HB3 3.010 . 4.142 3.280 3.049 3.470 . 0 0 "[ . 1 . 2]" 1
941 1 73 SER H 1 74 LEU H 2.621 . 3.480 2.684 2.626 2.773 . 0 0 "[ . 1 . 2]" 1
942 1 102 ASP HA 1 103 ALA H 2.690 . 3.595 3.231 2.678 3.536 . 0 0 "[ . 1 . 2]" 1
943 1 14 ASP H 1 14 ASP HB3 2.943 . 4.025 3.554 3.270 3.614 . 0 0 "[ . 1 . 2]" 1
944 1 32 VAL H 1 32 VAL MG2 2.849 . 3.864 3.269 3.171 3.480 . 0 0 "[ . 1 . 2]" 1
945 1 80 GLN H 1 81 TYR H 2.566 . 3.389 2.551 2.445 2.663 . 0 0 "[ . 1 . 2]" 1
946 1 102 ASP H 1 102 ASP HB3 2.769 . 3.727 3.595 2.529 4.156 0.429 5 0 "[ . 1 . 2]" 1
947 1 52 GLN H 1 53 LEU H 2.533 . 3.335 2.562 2.497 2.724 . 0 0 "[ . 1 . 2]" 1
948 1 87 GLN H 1 87 GLN QB 2.524 . 3.320 2.279 2.210 2.429 . 0 0 "[ . 1 . 2]" 1
949 1 19 LYS H 1 19 LYS HA 2.822 . 3.817 2.823 2.805 2.852 . 0 0 "[ . 1 . 2]" 1
950 1 14 ASP H 1 15 THR H 2.534 . 3.336 2.616 2.494 2.694 . 0 0 "[ . 1 . 2]" 1
951 1 60 ARG H 1 60 ARG HB3 2.446 . 3.194 3.111 2.681 3.721 0.527 11 1 "[ . 1+ . 2]" 1
952 1 44 ALA H 1 45 PHE HD1 3.380 . 4.808 4.146 3.949 4.469 . 0 0 "[ . 1 . 2]" 1
953 1 20 THR H 1 21 ALA H 2.541 . 3.348 2.712 2.646 2.777 . 0 0 "[ . 1 . 2]" 1
954 1 70 ALA H 1 70 ALA HA 2.789 . 3.761 2.829 2.815 2.842 . 0 0 "[ . 1 . 2]" 1
955 1 30 ASP H 1 31 LYS H 2.540 . 3.346 2.633 2.404 2.865 . 0 0 "[ . 1 . 2]" 1
956 1 32 VAL H 1 32 VAL HB 2.460 . 3.216 2.611 2.547 2.697 . 0 0 "[ . 1 . 2]" 1
957 1 23 LEU H 1 24 SER H 2.587 . 3.424 2.838 2.777 2.879 . 0 0 "[ . 1 . 2]" 1
958 1 78 ASP H 1 81 TYR HD1 3.061 . 4.232 4.314 4.279 4.394 0.162 4 0 "[ . 1 . 2]" 1
959 1 31 LYS HB2 1 32 VAL H 3.162 . 4.412 3.224 3.003 3.515 . 0 0 "[ . 1 . 2]" 1
960 1 57 LYS H 1 57 LYS HA 2.603 . 3.450 2.931 2.898 2.950 . 0 0 "[ . 1 . 2]" 1
961 1 67 ASP HA 1 68 ARG H 2.339 . 3.023 2.411 2.241 2.555 . 0 0 "[ . 1 . 2]" 1
962 1 80 GLN H 1 80 GLN QB . . 2.833 2.592 2.207 2.765 . 0 0 "[ . 1 . 2]" 1
963 1 82 VAL HB 1 83 ARG H 2.327 . 3.004 3.237 2.453 3.683 0.679 15 2 "[ . - 1 + 2]" 1
964 1 36 MET H 1 37 ILE H 2.446 . 3.194 2.490 2.398 2.524 . 0 0 "[ . 1 . 2]" 1
965 1 80 GLN H 1 80 GLN HA 2.523 . 3.318 2.809 2.762 2.843 . 0 0 "[ . 1 . 2]" 1
966 1 28 GLY H 1 28 GLY HA2 2.732 . 3.665 2.362 2.322 2.392 . 0 0 "[ . 1 . 2]" 1
967 1 74 LEU H 1 74 LEU HB2 2.571 . 3.397 2.557 2.409 2.639 . 0 0 "[ . 1 . 2]" 1
968 1 24 SER H 1 25 TYR H 2.502 . 3.284 2.584 2.520 2.650 . 0 0 "[ . 1 . 2]" 1
969 1 54 GLN H 1 54 GLN HG2 2.462 . 3.220 2.621 2.483 2.764 . 0 0 "[ . 1 . 2]" 1
970 1 62 ALA H 1 62 ALA HA 2.530 . 3.330 2.434 2.251 2.865 . 0 0 "[ . 1 . 2]" 1
971 1 22 PHE H 1 22 PHE HA 2.563 . 3.384 2.713 2.697 2.731 . 0 0 "[ . 1 . 2]" 1
972 1 68 ARG H 1 68 ARG HB2 3.108 . 4.315 3.583 3.412 3.630 . 0 0 "[ . 1 . 2]" 1
973 1 8 VAL H 1 8 VAL QG 2.585 . 3.420 2.374 1.926 2.775 . 0 0 "[ . 1 . 2]" 1
974 1 26 ALA H 1 27 GLN H 2.509 . 3.296 2.913 2.840 2.966 . 0 0 "[ . 1 . 2]" 1
975 1 21 ALA H 1 22 PHE H 2.472 . 3.236 2.679 2.601 2.735 . 0 0 "[ . 1 . 2]" 1
976 1 37 ILE H 1 38 ASP H 2.440 . 3.184 2.525 2.434 2.588 . 0 0 "[ . 1 . 2]" 1
977 1 94 GLU H 1 94 GLU HB2 2.554 . 3.369 2.821 2.276 3.921 0.552 1 1 "[+ . 1 . 2]" 1
978 1 40 LEU H 1 40 LEU HB3 2.394 . 3.111 2.448 2.363 2.512 . 0 0 "[ . 1 . 2]" 1
979 1 70 ALA H 1 71 PHE H 2.495 . 3.273 2.642 2.550 2.731 . 0 0 "[ . 1 . 2]" 1
980 1 55 GLU H 1 55 GLU HA 2.565 . 3.388 2.847 2.801 2.862 . 0 0 "[ . 1 . 2]" 1
981 1 58 LYS H 1 58 LYS HG2 2.451 . 3.202 2.922 2.172 3.937 0.735 7 4 "[ . +* 1 * .- 2]" 1
982 1 81 TYR H 1 81 TYR HB2 2.315 . 2.985 2.279 2.226 2.315 . 0 0 "[ . 1 . 2]" 1
983 1 74 LEU H 1 75 VAL H 2.518 . 3.310 2.600 2.514 2.659 . 0 0 "[ . 1 . 2]" 1
984 1 92 ALA H 1 92 ALA MB 2.534 . 3.337 2.344 2.217 2.592 . 0 0 "[ . 1 . 2]" 1
985 1 17 ARG H 1 17 ARG QB 2.292 . 2.949 2.283 2.154 2.732 . 0 0 "[ . 1 . 2]" 1
986 1 54 GLN H 1 54 GLN HB3 2.381 . 3.090 2.375 2.317 2.429 . 0 0 "[ . 1 . 2]" 1
987 1 31 LYS H 1 31 LYS HB2 2.291 . 2.947 2.742 2.632 2.897 . 0 0 "[ . 1 . 2]" 1
988 1 77 SER H 1 77 SER HB2 2.539 . 3.345 2.876 2.540 3.624 0.279 13 0 "[ . 1 . 2]" 1
989 1 93 PRO HA 1 94 GLU H 2.541 . 3.348 2.681 2.214 3.529 0.181 4 0 "[ . 1 . 2]" 1
990 1 19 LYS H 1 19 LYS QB 2.653 . 3.533 2.506 2.011 2.769 . 0 0 "[ . 1 . 2]" 1
991 1 90 PRO HA 1 91 CYS H 2.343 . 3.029 2.325 2.217 2.461 . 0 0 "[ . 1 . 2]" 1
992 1 81 TYR H 1 82 VAL H 2.396 . 3.113 2.324 2.283 2.418 . 0 0 "[ . 1 . 2]" 1
993 1 104 LEU H 1 105 GLU H 2.366 . 3.066 2.596 1.647 3.185 0.119 11 0 "[ . 1 . 2]" 1
994 1 43 GLY H 1 43 GLY HA2 2.649 . 3.526 2.762 2.744 2.783 . 0 0 "[ . 1 . 2]" 1
995 1 57 LYS H 1 57 LYS HB2 2.379 . 3.087 3.112 2.516 3.276 0.189 11 0 "[ . 1 . 2]" 1
996 1 109 GLN HA 1 110 LYS H 2.465 . 3.225 2.431 2.112 3.486 0.261 4 0 "[ . 1 . 2]" 1
997 1 42 CYS H 1 42 CYS QB 2.362 . 3.059 2.332 2.250 2.660 . 0 0 "[ . 1 . 2]" 1
998 1 33 THR H 1 33 THR MG 2.306 . 2.970 2.372 2.292 2.452 . 0 0 "[ . 1 . 2]" 1
999 1 11 SER H 1 11 SER HA 2.391 . 3.106 2.924 2.911 2.939 . 0 0 "[ . 1 . 2]" 1
1000 1 94 GLU HA 1 95 GLU H 2.433 . 3.173 2.651 2.057 3.486 0.313 17 0 "[ . 1 . 2]" 1
1001 1 41 ILE H 1 42 CYS H 2.427 . 3.163 2.797 2.726 2.919 . 0 0 "[ . 1 . 2]" 1
1002 1 29 GLN H 1 29 GLN HB3 2.675 . 3.569 3.582 3.300 3.620 0.051 2 0 "[ . 1 . 2]" 1
1003 1 65 GLY QA 1 66 TYR H . . 2.867 2.450 2.333 2.588 . 0 0 "[ . 1 . 2]" 1
1004 1 25 TYR H 1 25 TYR HB3 3.097 . 4.296 3.499 3.468 3.537 . 0 0 "[ . 1 . 2]" 1
1005 1 53 LEU H 1 53 LEU HB2 2.463 . 3.221 2.647 2.466 2.782 . 0 0 "[ . 1 . 2]" 1
1006 1 44 ALA H 1 45 PHE H 2.409 . 3.134 2.375 2.254 2.514 . 0 0 "[ . 1 . 2]" 1
1007 1 9 LYS H 1 9 LYS QB 2.146 . 2.722 2.461 2.310 2.717 . 0 0 "[ . 1 . 2]" 1
1008 1 19 LYS H 1 20 THR H 2.352 . 3.043 2.672 2.522 2.809 . 0 0 "[ . 1 . 2]" 1
1009 1 33 THR HA 1 34 GLU H 2.365 . 3.064 2.455 2.339 2.594 . 0 0 "[ . 1 . 2]" 1
1010 1 32 VAL HA 1 33 THR H 2.142 . 2.715 2.135 2.106 2.202 . 0 0 "[ . 1 . 2]" 1
1011 1 69 SER H 1 70 ALA H 2.377 . 3.083 2.587 2.505 2.682 . 0 0 "[ . 1 . 2]" 1
1012 1 28 GLY H 1 28 GLY HA3 2.149 . 2.726 2.927 2.898 2.943 0.217 6 0 "[ . 1 . 2]" 1
1013 1 7 MET HA 1 8 VAL H 2.373 . 3.077 2.351 2.097 3.452 0.375 4 0 "[ . 1 . 2]" 1
1014 1 23 LEU H 1 23 LEU HG 2.265 . 2.906 1.947 1.836 2.095 . 0 0 "[ . 1 . 2]" 1
1015 1 86 ALA H 1 86 ALA MB 2.383 . 3.093 2.199 2.151 2.216 . 0 0 "[ . 1 . 2]" 1
1016 1 88 HIS H 1 89 PHE H 2.381 . 3.090 2.505 2.266 2.700 . 0 0 "[ . 1 . 2]" 1
1017 1 75 VAL H 1 75 VAL MG2 2.320 . 2.993 2.032 1.963 2.111 . 0 0 "[ . 1 . 2]" 1
1018 1 76 ALA H 1 77 SER H 2.350 . 3.040 2.680 2.623 2.751 . 0 0 "[ . 1 . 2]" 1
1019 1 82 VAL H 1 82 VAL QG 2.313 . 2.981 1.879 1.680 2.471 . 0 0 "[ . 1 . 2]" 1
1020 1 83 ARG H 1 83 ARG QB 2.526 . 3.323 2.603 2.273 2.845 . 0 0 "[ . 1 . 2]" 1
1021 1 70 ALA MB 1 71 PHE H 2.396 . 3.114 2.239 2.143 2.362 . 0 0 "[ . 1 . 2]" 1
1022 1 16 GLN H 1 16 GLN HG3 2.672 . 3.564 2.345 2.071 3.730 0.166 8 0 "[ . 1 . 2]" 1
1023 1 76 ALA H 1 76 ALA MB 2.359 . 3.055 2.236 2.217 2.250 . 0 0 "[ . 1 . 2]" 1
1024 1 24 SER H 1 24 SER QB 2.798 . 3.777 2.425 2.180 2.677 . 0 0 "[ . 1 . 2]" 1
1025 1 78 ASP HA 1 79 GLU H 2.274 . 2.920 2.160 2.116 2.209 . 0 0 "[ . 1 . 2]" 1
1026 1 79 GLU HA 1 82 VAL H 2.288 . 2.942 3.041 2.865 3.147 0.205 18 0 "[ . 1 . 2]" 1
1027 1 89 PHE H 1 89 PHE HB3 2.326 . 3.002 2.971 2.830 3.088 0.086 14 0 "[ . 1 . 2]" 1
1028 1 73 SER H 1 73 SER HB3 2.318 . 2.990 2.864 2.544 3.606 0.616 16 5 "[ - . 1 * *.+ *2]" 1
1029 1 41 ILE H 1 41 ILE HB 2.316 . 2.987 2.417 2.385 2.452 . 0 0 "[ . 1 . 2]" 1
1030 1 35 ALA H 1 35 ALA MB 2.316 . 2.986 2.239 2.210 2.271 . 0 0 "[ . 1 . 2]" 1
1031 1 8 VAL HA 1 9 LYS H 2.283 . 2.934 3.280 3.009 3.452 0.518 12 2 "[ . 1 +- . 2]" 1
1032 1 74 LEU H 1 74 LEU HA 2.397 . 3.115 2.860 2.845 2.869 . 0 0 "[ . 1 . 2]" 1
1033 1 70 ALA H 1 70 ALA MB 2.225 . 2.844 2.207 2.170 2.233 . 0 0 "[ . 1 . 2]" 1
1034 1 9 LYS HA 1 10 ILE H 2.215 . 2.828 2.735 2.573 2.963 0.135 15 0 "[ . 1 . 2]" 1
1035 1 79 GLU H 1 79 GLU QB 2.615 . 3.470 2.179 2.071 2.261 . 0 0 "[ . 1 . 2]" 1
1036 1 55 GLU H 1 55 GLU HB3 2.173 . 2.763 2.733 2.585 3.584 0.821 20 1 "[ . 1 . +]" 1
1037 1 27 GLN H 1 27 GLN HA 2.208 . 2.817 2.939 2.931 2.946 0.129 5 0 "[ . 1 . 2]" 1
1038 1 16 GLN H 1 16 GLN HB2 2.134 . 2.703 2.432 1.927 2.545 . 0 0 "[ . 1 . 2]" 1
1039 1 66 TYR H 1 66 TYR HB2 1.942 . 2.413 2.188 2.108 2.244 . 0 0 "[ . 1 . 2]" 1
1040 1 37 ILE H 1 37 ILE MG 2.563 . 3.384 3.548 3.418 3.608 0.224 11 0 "[ . 1 . 2]" 1
1041 1 39 GLN H 1 39 GLN HB3 1.957 . 2.436 2.236 2.143 2.476 0.040 16 0 "[ . 1 . 2]" 1
1042 1 33 THR HB 1 35 ALA H 2.834 . 3.838 3.122 2.631 3.574 . 0 0 "[ . 1 . 2]" 1
1043 1 22 PHE HE1 1 66 TYR HA 3.232 . 4.538 4.772 4.607 4.866 0.328 8 0 "[ . 1 . 2]" 1
1044 1 45 PHE H 1 45 PHE HA 2.619 . 3.477 2.928 2.887 2.943 . 0 0 "[ . 1 . 2]" 1
1045 1 45 PHE HA 1 45 PHE HD1 3.543 . 5.112 4.105 3.962 4.552 . 0 0 "[ . 1 . 2]" 1
1046 1 30 ASP HA 1 31 LYS H 4.758 . 7.588 3.243 3.056 3.411 . 0 0 "[ . 1 . 2]" 1
1047 1 29 GLN HA 1 30 ASP H 3.958 . 5.917 2.759 2.686 2.820 . 0 0 "[ . 1 . 2]" 1
1048 1 66 TYR HA 1 67 ASP H 2.157 . 2.739 2.184 2.043 2.368 . 0 0 "[ . 1 . 2]" 1
1049 1 49 SER HA 1 50 TRP H 3.103 . 4.307 2.455 2.290 2.605 . 0 0 "[ . 1 . 2]" 1
1050 1 20 THR H 1 20 THR HB 2.189 . 2.788 2.469 2.402 2.587 . 0 0 "[ . 1 . 2]" 1
1051 1 15 THR H 1 15 THR HB 3.090 . 4.283 3.229 2.955 3.371 . 0 0 "[ . 1 . 2]" 1
1052 1 10 ILE HA 1 11 SER H 2.195 . 2.797 2.200 2.108 2.255 . 0 0 "[ . 1 . 2]" 1
1053 1 49 SER HB3 1 50 TRP H 4.302 . 6.615 3.301 2.507 3.912 . 0 0 "[ . 1 . 2]" 1
1054 1 12 HIS HA 1 12 HIS HD2 3.889 . 5.780 3.655 2.466 4.751 . 0 0 "[ . 1 . 2]" 1
1055 1 84 PHE HA 1 88 HIS HD2 4.034 . 6.068 4.690 4.194 5.549 . 0 0 "[ . 1 . 2]" 1
1056 1 84 PHE HA 1 84 PHE HD1 3.033 . 4.183 3.611 3.367 3.990 . 0 0 "[ . 1 . 2]" 1
1057 1 48 LEU HA 1 49 SER H 2.193 . 2.794 2.155 2.121 2.204 . 0 0 "[ . 1 . 2]" 1
1058 1 81 TYR HA 1 81 TYR HE1 4.131 . 6.264 5.967 5.930 5.998 . 0 0 "[ . 1 . 2]" 1
1059 1 25 TYR HA 1 25 TYR HD1 2.605 . 3.453 2.908 2.474 3.276 . 0 0 "[ . 1 . 2]" 1
1060 1 50 TRP HA 1 51 GLU H 2.619 . 3.476 3.519 3.489 3.543 0.067 19 0 "[ . 1 . 2]" 1
1061 1 50 TRP HA 1 50 TRP HD1 3.286 . 4.635 2.713 2.582 2.805 . 0 0 "[ . 1 . 2]" 1
1062 1 24 SER HA 1 25 TYR H 3.578 . 5.178 3.442 3.427 3.456 . 0 0 "[ . 1 . 2]" 1
1063 1 86 ALA HA 1 88 HIS H 3.935 . 5.871 4.485 4.363 4.645 . 0 0 "[ . 1 . 2]" 1
1064 1 57 LYS HA 1 58 LYS H 4.604 . 7.254 3.164 3.067 3.330 . 0 0 "[ . 1 . 2]" 1
1065 1 81 TYR HB2 1 81 TYR HD1 2.805 . 3.789 2.620 2.515 2.701 . 0 0 "[ . 1 . 2]" 1
1066 1 83 ARG H 1 83 ARG HA 2.538 . 3.343 2.813 2.775 2.847 . 0 0 "[ . 1 . 2]" 1
1067 1 73 SER HB3 1 74 LEU H 2.954 . 4.045 3.010 2.545 4.106 0.061 7 0 "[ . 1 . 2]" 1
1068 1 27 GLN QE 1 32 VAL HA 2.994 . 4.114 2.371 2.159 2.579 . 0 0 "[ . 1 . 2]" 1
1069 1 40 LEU HA 1 84 PHE HD1 4.752 . 7.575 4.270 3.543 4.735 . 0 0 "[ . 1 . 2]" 1
1070 1 66 TYR HD1 1 71 PHE HA 4.001 . 6.002 3.147 2.926 3.293 . 0 0 "[ . 1 . 2]" 1
1071 1 73 SER H 1 73 SER HB2 3.000 . 4.125 2.520 2.342 3.582 . 0 0 "[ . 1 . 2]" 1
1072 1 91 CYS HA 1 92 ALA H 1.584 . 1.897 2.090 2.046 2.256 0.359 17 0 "[ . 1 . 2]" 1
1073 1 13 GLU HA 1 16 GLN HE21 3.639 . 5.294 2.432 1.908 3.866 0.076 11 0 "[ . 1 . 2]" 1
1074 1 52 GLN HA 1 53 LEU H 3.625 . 5.268 3.499 3.464 3.532 . 0 0 "[ . 1 . 2]" 1
1075 1 55 GLU HA 1 57 LYS H 4.033 . 6.066 4.165 3.709 4.393 . 0 0 "[ . 1 . 2]" 1
1076 1 69 SER H 1 69 SER HA 2.474 . 3.239 2.850 2.815 2.867 . 0 0 "[ . 1 . 2]" 1
1077 1 26 ALA HA 1 27 GLN H 3.390 . 4.827 3.586 3.559 3.613 . 0 0 "[ . 1 . 2]" 1
1078 1 15 THR HA 1 72 PHE HD1 5.881 . 10.204 4.826 4.575 5.215 . 0 0 "[ . 1 . 2]" 1
1079 1 24 SER QB 1 25 TYR HD1 4.160 . 6.323 3.190 2.454 4.057 . 0 0 "[ . 1 . 2]" 1
1080 1 27 GLN QE 1 65 GLY QA 4.061 . 6.122 3.930 3.258 4.384 . 0 0 "[ . 1 . 2]" 1
1081 1 53 LEU H 1 53 LEU HA 2.798 . 3.777 2.866 2.858 2.874 . 0 0 "[ . 1 . 2]" 1
1082 1 53 LEU HA 1 56 LYS H 3.355 . 4.762 3.196 3.050 3.472 . 0 0 "[ . 1 . 2]" 1
1083 1 52 GLN QE 1 53 LEU HA 3.343 . 4.740 4.330 3.735 4.736 . 0 0 "[ . 1 . 2]" 1
1084 1 22 PHE HD1 1 23 LEU HA 4.127 . 6.256 4.740 4.602 4.912 . 0 0 "[ . 1 . 2]" 1
1085 1 16 GLN HE21 1 17 ARG QD 4.728 . 7.522 5.758 4.821 6.858 . 0 0 "[ . 1 . 2]" 1
1086 1 23 LEU HA 1 26 ALA H 2.973 . 4.078 4.090 3.981 4.166 0.088 1 0 "[ . 1 . 2]" 1
1087 1 11 SER H 1 17 ARG QD 4.078 . 6.157 5.319 5.158 5.512 . 0 0 "[ . 1 . 2]" 1
1088 1 53 LEU H 1 54 GLN HA 4.394 . 6.807 5.073 5.049 5.098 . 0 0 "[ . 1 . 2]" 1
1089 1 97 LYS H 1 99 PRO HD2 9.961 . 22.364 6.915 5.778 7.681 . 0 0 "[ . 1 . 2]" 1
1090 1 17 ARG H 1 17 ARG QD 3.311 . 4.681 3.015 2.341 3.284 . 0 0 "[ . 1 . 2]" 1
1091 1 41 ILE HA 1 45 PHE HZ 5.590 . 9.496 4.700 4.510 5.101 . 0 0 "[ . 1 . 2]" 1
1092 1 50 TRP HE1 1 54 GLN HA 3.417 . 4.877 4.935 4.806 5.004 0.127 17 0 "[ . 1 . 2]" 1
1093 1 41 ILE HA 1 81 TYR HE1 3.011 . 4.144 3.849 3.563 3.998 . 0 0 "[ . 1 . 2]" 1
1094 1 44 ALA HA 1 80 GLN QE 3.015 . 4.151 3.848 3.606 4.070 . 0 0 "[ . 1 . 2]" 1
1095 1 41 ILE HA 1 45 PHE HE1 2.292 . 2.949 2.592 2.400 2.836 . 0 0 "[ . 1 . 2]" 1
1096 1 37 ILE HA 1 66 TYR HE1 3.832 . 5.668 5.218 4.931 5.580 . 0 0 "[ . 1 . 2]" 1
1097 1 28 GLY HA3 1 29 GLN H 2.668 . 3.558 3.158 3.102 3.235 . 0 0 "[ . 1 . 2]" 1
1098 1 22 PHE HD1 1 37 ILE HA 3.626 . 5.269 4.869 4.594 5.162 . 0 0 "[ . 1 . 2]" 1
1099 1 50 TRP HB2 1 50 TRP HD1 2.953 . 4.043 2.851 2.809 2.888 . 0 0 "[ . 1 . 2]" 1
1100 1 50 TRP HB2 1 51 GLU H 3.162 . 4.411 3.934 3.853 4.040 . 0 0 "[ . 1 . 2]" 1
1101 1 71 PHE QB 1 72 PHE H 2.973 . 4.078 2.583 2.435 2.906 . 0 0 "[ . 1 . 2]" 1
1102 1 71 PHE QB 1 71 PHE HD1 2.966 . 3.843 2.354 2.233 2.426 . 0 0 "[ . 1 . 2]" 1
1103 1 12 HIS H 1 12 HIS HB2 1.991 . 2.487 2.596 2.529 2.650 0.163 15 0 "[ . 1 . 2]" 1
1104 1 84 PHE HB3 1 84 PHE HD1 1.917 . 2.377 2.402 2.291 2.456 0.079 3 0 "[ . 1 . 2]" 1
1105 1 84 PHE HB3 1 85 ILE H 1.993 . 2.489 2.556 2.449 2.651 0.162 5 0 "[ . 1 . 2]" 1
1106 1 12 HIS HB2 1 13 GLU H 2.408 . 3.133 2.299 1.997 2.512 . 0 0 "[ . 1 . 2]" 1
1107 1 66 TYR HB2 1 66 TYR HD1 2.689 . 3.593 2.726 2.472 2.909 . 0 0 "[ . 1 . 2]" 1
1108 1 82 VAL HA 1 83 ARG H 3.257 . 4.583 3.514 3.480 3.562 . 0 0 "[ . 1 . 2]" 1
1109 1 50 TRP HB3 1 50 TRP HE3 2.373 . 3.077 2.357 2.342 2.373 . 0 0 "[ . 1 . 2]" 1
1110 1 50 TRP H 1 50 TRP HB3 2.765 . 3.721 2.704 2.609 2.786 . 0 0 "[ . 1 . 2]" 1
1111 1 43 GLY HA3 1 84 PHE HE1 4.128 . 6.258 4.645 3.933 5.316 . 0 0 "[ . 1 . 2]" 1
1112 1 75 VAL HA 1 77 SER H 3.566 . 5.156 3.702 3.308 4.001 . 0 0 "[ . 1 . 2]" 1
1113 1 43 GLY H 1 43 GLY HA3 2.365 . 3.064 2.285 2.269 2.300 . 0 0 "[ . 1 . 2]" 1
1114 1 68 ARG HA 1 71 PHE H 3.530 . 5.088 3.733 3.538 4.068 . 0 0 "[ . 1 . 2]" 1
1115 1 36 MET H 1 36 MET HG2 3.240 . 4.552 2.939 2.709 3.769 . 0 0 "[ . 1 . 2]" 1
1116 1 45 PHE HB2 1 45 PHE HD1 2.950 . 4.038 2.618 2.344 2.732 . 0 0 "[ . 1 . 2]" 1
1117 1 66 TYR HB3 1 66 TYR HD1 2.723 . 3.650 2.589 2.430 2.792 . 0 0 "[ . 1 . 2]" 1
1118 1 30 ASP H 1 30 ASP HB3 2.762 . 3.715 3.397 2.444 3.655 . 0 0 "[ . 1 . 2]" 1
1119 1 21 ALA HA 1 89 PHE HD1 4.042 . 6.084 3.578 3.222 3.914 . 0 0 "[ . 1 . 2]" 1
1120 1 22 PHE HE1 1 66 TYR HB3 2.662 . 3.548 2.220 2.110 2.385 . 0 0 "[ . 1 . 2]" 1
1121 1 78 ASP HB2 1 82 VAL H 3.962 . 5.924 4.645 4.290 4.866 . 0 0 "[ . 1 . 2]" 1
1122 1 78 ASP HB2 1 81 TYR HD1 2.992 . 4.111 2.318 2.177 2.480 . 0 0 "[ . 1 . 2]" 1
1123 1 78 ASP HB2 1 81 TYR HE1 3.466 . 4.967 4.016 3.828 4.172 . 0 0 "[ . 1 . 2]" 1
1124 1 22 PHE HA 1 26 ALA H 3.493 . 5.018 4.375 4.247 4.490 . 0 0 "[ . 1 . 2]" 1
1125 1 22 PHE HA 1 22 PHE HD1 2.335 . 3.016 3.062 2.793 3.151 0.135 12 0 "[ . 1 . 2]" 1
1126 1 78 ASP HB3 1 81 TYR HE1 3.709 . 5.429 4.509 4.365 4.693 . 0 0 "[ . 1 . 2]" 1
1127 1 29 GLN H 1 29 GLN HB2 2.457 . 3.212 2.681 2.510 3.438 0.226 19 0 "[ . 1 . 2]" 1
1128 1 29 GLN HB2 1 29 GLN HE21 2.582 . 3.416 2.142 1.769 2.885 . 0 0 "[ . 1 . 2]" 1
1129 1 51 GLU H 1 51 GLU HG3 3.379 . 4.806 2.879 2.044 3.722 . 0 0 "[ . 1 . 2]" 1
1130 1 57 LYS QE 1 66 TYR HD1 4.123 . 6.247 5.398 4.939 5.744 . 0 0 "[ . 1 . 2]" 1
1131 1 39 GLN HB3 1 40 LEU H 2.571 . 3.397 2.913 2.347 3.572 0.175 6 0 "[ . 1 . 2]" 1
1132 1 79 GLU QG 1 81 TYR H 4.053 . 6.107 4.450 4.145 4.977 . 0 0 "[ . 1 . 2]" 1
1133 1 27 GLN QG 1 34 GLU H 4.265 . 6.538 6.172 5.947 6.303 . 0 0 "[ . 1 . 2]" 1
1134 1 29 GLN HB3 1 29 GLN HE21 3.325 . 4.707 2.987 2.484 3.758 . 0 0 "[ . 1 . 2]" 1
1135 1 16 GLN HB2 1 17 ARG H 2.273 . 2.919 2.625 2.488 3.209 0.290 8 0 "[ . 1 . 2]" 1
1136 1 82 VAL H 1 82 VAL HB 2.308 . 2.974 3.293 2.253 3.511 0.537 13 6 "[- . * 1* +*. * 2]" 1
1137 1 34 GLU H 1 34 GLU QB 2.727 . 3.656 2.298 2.146 2.844 . 0 0 "[ . 1 . 2]" 1
1138 1 107 LYS H 1 107 LYS HB3 3.178 . 4.440 3.325 2.491 3.991 . 0 0 "[ . 1 . 2]" 1
1139 1 18 ILE H 1 18 ILE HG13 2.335 . 3.016 2.210 2.071 2.348 . 0 0 "[ . 1 . 2]" 1
1140 1 19 LYS QB 1 20 THR H 2.302 . 2.965 2.336 2.159 2.558 . 0 0 "[ . 1 . 2]" 1
1141 1 93 PRO HG2 1 94 GLU H 3.188 . 4.458 4.023 1.902 4.623 0.165 15 0 "[ . 1 . 2]" 1
1142 1 56 LYS QB 1 57 LYS H 3.373 . 4.528 2.361 2.205 2.599 . 0 0 "[ . 1 . 2]" 1
1143 1 52 GLN QE 1 55 GLU QG 3.675 . 5.364 2.563 2.137 3.506 . 0 0 "[ . 1 . 2]" 1
1144 1 22 PHE HZ 1 32 VAL HB 3.494 . 5.020 4.095 3.854 4.462 . 0 0 "[ . 1 . 2]" 1
1145 1 51 GLU H 1 51 GLU HB2 2.841 . 3.850 2.482 2.386 2.604 . 0 0 "[ . 1 . 2]" 1
1146 1 22 PHE HD1 1 32 VAL HB 3.127 . 4.349 3.008 2.879 3.306 . 0 0 "[ . 1 . 2]" 1
1147 1 80 GLN QE 1 80 GLN HG3 . . 6.270 3.109 2.736 3.334 . 0 0 "[ . 1 . 2]" 1
1148 1 40 LEU HB2 1 88 HIS HD2 4.283 . 6.576 6.686 6.598 6.769 0.193 15 0 "[ . 1 . 2]" 1
1149 1 39 GLN HE21 1 40 LEU HB2 3.004 . 4.132 3.352 2.127 4.257 0.125 8 0 "[ . 1 . 2]" 1
1150 1 52 GLN H 1 52 GLN HB3 2.528 . 3.327 2.779 2.376 3.539 0.212 19 0 "[ . 1 . 2]" 1
1151 1 58 LYS H 1 58 LYS QB 2.121 . 2.683 2.301 2.082 2.480 . 0 0 "[ . 1 . 2]" 1
1152 1 40 LEU HB2 1 71 PHE HE1 3.306 . 4.672 2.349 2.151 2.546 . 0 0 "[ . 1 . 2]" 1
1153 1 56 LYS QB 1 58 LYS H 4.387 . 6.792 4.293 4.154 4.487 . 0 0 "[ . 1 . 2]" 1
1154 1 45 PHE HE1 1 56 LYS HD3 4.374 . 6.766 5.115 2.478 6.397 . 0 0 "[ . 1 . 2]" 1
1155 1 9 LYS QB 1 80 GLN H 4.305 . 6.622 5.625 5.213 5.881 . 0 0 "[ . 1 . 2]" 1
1156 1 9 LYS QB 1 84 PHE H 4.216 . 6.438 6.062 5.819 6.202 . 0 0 "[ . 1 . 2]" 1
1157 1 74 LEU HB2 1 81 TYR HE1 3.945 . 5.890 5.071 4.819 5.913 0.023 4 0 "[ . 1 . 2]" 1
1158 1 87 GLN QB 1 88 HIS HD2 3.882 . 5.766 5.122 4.445 5.653 . 0 0 "[ . 1 . 2]" 1
1159 1 106 LEU H 1 106 LEU HB2 3.041 . 4.197 2.874 2.319 3.603 . 0 0 "[ . 1 . 2]" 1
1160 1 67 ASP H 1 70 ALA MB 2.374 . 3.078 2.312 2.042 2.731 . 0 0 "[ . 1 . 2]" 1
1161 1 48 LEU HB3 1 49 SER H 3.348 . 4.749 3.351 3.030 3.482 . 0 0 "[ . 1 . 2]" 1
1162 1 23 LEU HB2 1 24 SER H 2.325 . 3.001 2.192 2.119 2.281 . 0 0 "[ . 1 . 2]" 1
1163 1 23 LEU H 1 23 LEU HB2 2.374 . 3.079 2.583 2.530 2.660 . 0 0 "[ . 1 . 2]" 1
1164 1 20 THR MG 1 21 ALA H 2.607 . 3.456 2.158 2.110 2.201 . 0 0 "[ . 1 . 2]" 1
1165 1 35 ALA MB 1 36 MET H 2.686 . 3.588 2.206 2.057 2.390 . 0 0 "[ . 1 . 2]" 1
1166 1 50 TRP HD1 1 53 LEU HB3 4.100 . 6.201 3.773 3.509 4.084 . 0 0 "[ . 1 . 2]" 1
1167 1 41 ILE HG12 1 81 TYR HE1 3.582 . 5.186 5.331 5.295 5.387 0.201 16 0 "[ . 1 . 2]" 1
1168 1 57 LYS H 1 57 LYS QG 2.629 . 3.493 1.995 1.661 2.326 0.117 18 0 "[ . 1 . 2]" 1
1169 1 22 PHE HZ 1 68 ARG HB2 4.199 . 6.403 4.588 4.267 4.891 . 0 0 "[ . 1 . 2]" 1
1170 1 21 ALA H 1 21 ALA MB 2.346 . 3.034 2.239 2.216 2.257 . 0 0 "[ . 1 . 2]" 1
1171 1 21 ALA MB 1 89 PHE HD1 4.067 . 6.135 2.573 2.143 3.074 . 0 0 "[ . 1 . 2]" 1
1172 1 21 ALA MB 1 25 TYR HD1 2.840 . 3.848 3.212 2.748 3.616 . 0 0 "[ . 1 . 2]" 1
1173 1 40 LEU HB3 1 71 PHE HD1 4.118 . 6.238 4.161 3.760 4.481 . 0 0 "[ . 1 . 2]" 1
1174 1 39 GLN HE22 1 40 LEU HB3 3.670 . 5.354 4.966 4.211 5.615 0.261 7 0 "[ . 1 . 2]" 1
1175 1 40 LEU HB3 1 66 TYR HD1 3.192 . 4.465 4.533 4.325 4.625 0.160 15 0 "[ . 1 . 2]" 1
1176 1 32 VAL MG1 1 36 MET H 3.045 . 4.204 2.976 2.783 3.162 . 0 0 "[ . 1 . 2]" 1
1177 1 22 PHE HZ 1 23 LEU MD2 3.301 . 4.663 3.178 2.999 3.434 . 0 0 "[ . 1 . 2]" 1
1178 1 22 PHE HD1 1 32 VAL MG1 3.297 . 4.656 3.049 2.779 3.418 . 0 0 "[ . 1 . 2]" 1
1179 1 41 ILE MG 1 45 PHE HD1 3.046 . 4.206 2.368 1.877 2.807 0.009 12 0 "[ . 1 . 2]" 1
1180 1 39 GLN HE22 1 40 LEU MD1 2.197 . 2.801 3.044 2.577 3.575 0.774 15 8 "[* - * 1** *+ * 2]" 1
1181 1 41 ILE MG 1 45 PHE HE1 4.602 . 7.249 2.361 2.162 2.828 . 0 0 "[ . 1 . 2]" 1
1182 1 41 ILE MG 1 81 TYR HE1 3.567 . 5.158 5.122 4.944 5.202 0.044 13 0 "[ . 1 . 2]" 1
1183 1 22 PHE H 1 85 ILE MD 1.604 . 1.925 2.143 2.085 2.243 0.318 15 0 "[ . 1 . 2]" 1
1184 1 82 VAL QG 1 83 ARG H 2.678 . 3.574 1.930 1.724 2.813 0.058 3 0 "[ . 1 . 2]" 1
1185 1 40 LEU MD1 1 71 PHE HD1 3.832 . 5.668 3.917 3.608 4.112 . 0 0 "[ . 1 . 2]" 1
1186 1 44 ALA MB 1 45 PHE HE1 3.835 . 5.674 3.830 3.542 3.990 . 0 0 "[ . 1 . 2]" 1
1187 1 40 LEU MD1 1 71 PHE HZ 2.602 . 3.448 2.349 2.168 2.565 . 0 0 "[ . 1 . 2]" 1
1188 1 44 ALA MB 1 45 PHE HD1 2.789 . 3.762 3.784 3.529 3.930 0.168 16 0 "[ . 1 . 2]" 1
1189 1 18 ILE H 1 18 ILE HG12 3.574 . 5.171 3.705 3.624 3.789 . 0 0 "[ . 1 . 2]" 1
1190 1 68 ARG H 1 68 ARG HG3 2.625 . 3.486 3.244 2.217 3.816 0.330 6 0 "[ . 1 . 2]" 1
1191 1 22 PHE HD1 1 37 ILE HG12 3.709 . 5.429 5.135 4.909 5.413 . 0 0 "[ . 1 . 2]" 1
1192 1 74 LEU HG 1 75 VAL H 3.438 . 4.916 3.813 3.605 4.664 . 0 0 "[ . 1 . 2]" 1
1193 1 10 ILE MD 1 72 PHE HE1 3.329 . 4.714 2.920 2.232 3.727 . 0 0 "[ . 1 . 2]" 1
1194 1 18 ILE H 1 18 ILE MD 1.953 . 2.430 2.619 2.562 2.695 0.265 4 0 "[ . 1 . 2]" 1
1195 1 18 ILE MD 1 72 PHE HE1 4.012 . 6.024 2.882 2.320 3.179 . 0 0 "[ . 1 . 2]" 1
1196 1 26 ALA H 1 26 ALA MB 2.219 . 2.835 2.237 2.211 2.265 . 0 0 "[ . 1 . 2]" 1
1197 1 22 PHE HD1 1 26 ALA MB 3.728 . 5.465 4.541 4.379 4.725 . 0 0 "[ . 1 . 2]" 1
1198 1 26 ALA MB 1 33 THR H 1.787 . 2.186 1.704 1.577 1.799 . 0 0 "[ . 1 . 2]" 1
1199 1 50 TRP HD1 1 53 LEU MD2 3.176 . 4.437 3.059 2.679 4.022 . 0 0 "[ . 1 . 2]" 1
1200 1 41 ILE MD 1 81 TYR HE1 2.938 . 4.017 3.583 3.385 3.741 . 0 0 "[ . 1 . 2]" 1
1201 1 75 VAL MG1 1 82 VAL H 2.799 . 3.778 2.597 2.517 2.698 . 0 0 "[ . 1 . 2]" 1
1202 1 32 VAL MG2 1 66 TYR H 4.188 . 6.380 5.083 4.674 5.410 . 0 0 "[ . 1 . 2]" 1
1203 1 26 ALA H 1 32 VAL MG2 2.835 . 3.840 2.780 2.717 2.894 . 0 0 "[ . 1 . 2]" 1
1204 1 22 PHE HE1 1 32 VAL MG2 2.494 . 3.272 2.573 2.301 2.720 . 0 0 "[ . 1 . 2]" 1
1205 1 32 VAL MG2 1 71 PHE HD1 3.649 . 5.313 4.583 4.173 4.775 . 0 0 "[ . 1 . 2]" 1
1206 1 22 PHE HD1 1 32 VAL MG2 3.055 . 4.222 1.902 1.868 1.996 0.020 19 0 "[ . 1 . 2]" 1
1207 1 40 LEU MD2 1 81 TYR HD1 2.883 . 3.922 3.276 3.084 3.402 . 0 0 "[ . 1 . 2]" 1
1208 1 40 LEU MD2 1 71 PHE HD1 4.034 . 6.068 2.599 2.293 3.131 . 0 0 "[ . 1 . 2]" 1
1209 1 37 ILE HG13 1 66 TYR HD1 3.839 . 5.682 2.911 2.302 3.377 . 0 0 "[ . 1 . 2]" 1
1210 1 37 ILE HG13 1 71 PHE HD1 4.401 . 6.822 4.184 3.727 4.529 . 0 0 "[ . 1 . 2]" 1
1211 1 74 LEU QD 1 75 VAL H 4.278 . 6.566 3.788 3.144 3.957 . 0 0 "[ . 1 . 2]" 1
1212 1 22 PHE HE1 1 37 ILE MD 2.967 . 4.067 2.557 2.332 2.975 . 0 0 "[ . 1 . 2]" 1
1213 1 37 ILE MD 1 66 TYR HD1 3.270 . 4.606 1.917 1.842 2.108 0.092 8 0 "[ . 1 . 2]" 1
1214 1 71 PHE HZ 1 75 VAL MG2 2.846 . 3.858 2.990 2.921 3.084 . 0 0 "[ . 1 . 2]" 1
1215 1 39 GLN HE22 1 75 VAL MG2 3.642 . 5.300 5.598 5.228 6.077 0.777 14 8 "[* - * 1** +* * 2]" 1
1216 1 34 GLU H 1 64 ASN HB3 3.545 . 5.116 3.320 2.623 3.708 . 0 0 "[ . 1 . 2]" 1
1217 1 50 TRP HE1 1 64 ASN HA 4.084 . 6.169 5.494 4.644 6.199 0.030 11 0 "[ . 1 . 2]" 1
1218 1 46 PRO HB2 1 47 GLY H 3.383 . 4.814 2.504 1.851 4.135 0.101 5 0 "[ . 1 . 2]" 1
1219 1 17 ARG QB 1 18 ILE H 2.684 . 3.584 2.565 2.379 3.346 . 0 0 "[ . 1 . 2]" 1
1220 1 48 LEU HB2 1 49 SER H 3.940 . 5.881 4.230 4.093 4.323 . 0 0 "[ . 1 . 2]" 1
1221 1 27 GLN QG 1 33 THR H 3.215 . 4.507 2.852 2.329 3.326 . 0 0 "[ . 1 . 2]" 1
1222 1 14 ASP HB2 1 15 THR H 2.948 . 4.035 2.720 2.473 3.329 . 0 0 "[ . 1 . 2]" 1
1223 1 53 LEU H 1 53 LEU HB3 2.473 . 3.237 2.458 2.359 2.606 . 0 0 "[ . 1 . 2]" 1
1224 1 53 LEU H 1 53 LEU HG 4.247 . 6.502 4.498 4.446 4.526 . 0 0 "[ . 1 . 2]" 1
1225 1 104 LEU H 1 104 LEU HG 3.567 . 5.157 2.880 2.139 4.472 . 0 0 "[ . 1 . 2]" 1
1226 1 37 ILE H 1 37 ILE HB 2.198 . 2.802 2.153 2.070 2.199 . 0 0 "[ . 1 . 2]" 1
1227 1 37 ILE H 1 37 ILE HG13 3.970 . 5.940 4.276 4.136 4.508 . 0 0 "[ . 1 . 2]" 1
1228 1 17 ARG H 1 91 CYS QB 2.810 . 3.797 3.055 2.564 3.310 . 0 0 "[ . 1 . 2]" 1
1229 1 18 ILE HB 1 19 LYS H 2.540 . 3.347 2.485 2.336 2.578 . 0 0 "[ . 1 . 2]" 1
1230 1 64 ASN HB3 1 65 GLY H 3.565 . 5.154 3.501 2.583 3.940 . 0 0 "[ . 1 . 2]" 1
1231 1 44 ALA H 1 44 ALA MB 2.225 . 2.844 2.352 2.326 2.387 . 0 0 "[ . 1 . 2]" 1
1232 1 22 PHE HB2 1 23 LEU H 3.807 . 5.619 3.957 3.856 4.015 . 0 0 "[ . 1 . 2]" 1
1233 1 29 GLN H 1 29 GLN HG3 1.554 . 1.856 2.028 1.936 2.509 0.653 19 1 "[ . 1 . +2]" 1
1234 1 27 GLN HB2 1 29 GLN H 1.285 . 1.491 1.698 1.658 1.742 0.251 3 0 "[ . 1 . 2]" 1
1235 1 86 ALA MB 1 87 GLN H 2.743 . 3.683 2.593 2.507 2.730 . 0 0 "[ . 1 . 2]" 1
1236 1 26 ALA MB 1 27 GLN H 1.741 . 2.120 1.958 1.903 2.052 . 0 0 "[ . 1 . 2]" 1
1237 1 84 PHE HB3 1 84 PHE HE1 3.658 . 5.331 4.652 4.592 4.681 . 0 0 "[ . 1 . 2]" 1
1238 1 39 GLN QG 1 84 PHE HE1 3.891 . 5.784 3.541 2.008 4.960 . 0 0 "[ . 1 . 2]" 1
1239 1 87 GLN QB 1 88 HIS H 2.699 . 3.610 2.632 2.466 2.973 . 0 0 "[ . 1 . 2]" 1
1240 1 20 THR MG 1 89 PHE HE1 1.943 . 2.415 2.122 1.890 2.423 0.008 19 0 "[ . 1 . 2]" 1
1241 1 84 PHE HD1 1 85 ILE HG13 3.198 . 4.476 4.216 3.559 4.536 0.060 1 0 "[ . 1 . 2]" 1
1242 1 72 PHE QB 1 72 PHE HD1 3.888 . 5.778 2.600 2.457 2.710 . 0 0 "[ . 1 . 2]" 1
1243 1 18 ILE MG 1 72 PHE HD1 2.360 . 3.056 2.843 2.409 2.986 . 0 0 "[ . 1 . 2]" 1
1244 1 22 PHE HZ 1 32 VAL MG2 2.701 . 3.613 3.637 3.545 3.858 0.245 15 0 "[ . 1 . 2]" 1
1245 1 74 LEU QD 1 81 TYR HD1 2.803 . 3.785 2.970 1.905 3.199 . 0 0 "[ . 1 . 2]" 1
1246 1 27 GLN QE 1 31 LYS QE 3.962 . 5.924 3.755 3.057 5.077 . 0 0 "[ . 1 . 2]" 1
1247 1 68 ARG HA 1 71 PHE HD1 4.826 . 7.737 6.050 5.772 6.600 . 0 0 "[ . 1 . 2]" 1
1248 1 71 PHE HD1 1 75 VAL MG2 3.705 . 5.421 4.147 3.965 4.304 . 0 0 "[ . 1 . 2]" 1
1249 1 27 GLN QE 1 31 LYS HB2 3.127 . 4.349 2.286 1.878 2.794 0.027 12 0 "[ . 1 . 2]" 1
1250 1 26 ALA MB 1 27 GLN QE 3.863 . 5.728 3.322 3.104 3.600 . 0 0 "[ . 1 . 2]" 1
1251 1 39 GLN HE22 1 85 ILE MD 3.554 . 5.133 3.857 3.118 4.501 . 0 0 "[ . 1 . 2]" 1
1252 1 29 GLN HE21 1 31 LYS HB2 3.091 . 4.285 3.834 3.264 4.376 0.091 14 0 "[ . 1 . 2]" 1
1253 1 39 GLN HE22 1 40 LEU HG 3.797 . 5.599 4.975 4.592 5.426 . 0 0 "[ . 1 . 2]" 1
1254 1 80 GLN QB 1 80 GLN QE 2.976 . 4.083 2.210 1.606 3.599 0.263 9 0 "[ . 1 . 2]" 1
1255 1 75 VAL HA 1 81 TYR HE1 4.119 . 6.240 4.853 4.667 5.217 . 0 0 "[ . 1 . 2]" 1
1256 1 22 PHE HD1 1 71 PHE QB 3.460 . 4.957 3.776 3.617 3.879 . 0 0 "[ . 1 . 2]" 1
1257 1 22 PHE HD1 1 25 TYR HB2 3.570 . 5.163 5.580 5.427 5.910 0.747 4 1 "[ +. 1 . 2]" 1
1258 1 67 ASP HA 1 67 ASP QB 2.535 . 2.950 2.201 2.145 2.445 . 0 0 "[ . 1 . 2]" 1
1259 1 31 LYS QG 1 67 ASP HA . . 3.780 2.213 1.931 2.813 0.029 11 0 "[ . 1 . 2]" 1
1260 1 31 LYS QD 1 67 ASP HA 3.675 . 5.363 2.956 2.315 3.907 . 0 0 "[ . 1 . 2]" 1
1261 1 67 ASP HA 1 68 ARG HD3 4.687 . 7.433 6.036 3.941 6.894 . 0 0 "[ . 1 . 2]" 1
1262 1 89 PHE HA 1 90 PRO HG3 5.051 . 8.240 4.314 4.197 4.409 . 0 0 "[ . 1 . 2]" 1
1263 1 23 LEU HA 1 31 LYS HA 3.396 . 4.838 4.884 4.834 4.962 0.124 17 0 "[ . 1 . 2]" 1
1264 1 31 LYS HA 1 31 LYS HB2 2.572 . 3.399 3.023 2.999 3.033 . 0 0 "[ . 1 . 2]" 1
1265 1 32 VAL H 1 67 ASP HA 3.939 . 5.878 3.556 3.231 4.005 . 0 0 "[ . 1 . 2]" 1
1266 1 22 PHE HZ 1 67 ASP HA 2.331 . 3.010 2.671 2.202 3.107 0.097 16 0 "[ . 1 . 2]" 1
1267 1 89 PHE HA 1 89 PHE HD1 3.235 . 4.544 4.253 4.047 4.450 . 0 0 "[ . 1 . 2]" 1
1268 1 88 HIS H 1 89 PHE HA 4.360 . 6.737 5.142 4.966 5.242 . 0 0 "[ . 1 . 2]" 1
1269 1 22 PHE HE1 1 31 LYS HA 2.965 . 4.064 3.931 3.492 4.145 0.081 9 0 "[ . 1 . 2]" 1
1270 1 13 GLU H 1 14 ASP H 2.716 . 3.638 2.728 2.653 2.876 . 0 0 "[ . 1 . 2]" 1
1271 1 42 CYS H 1 43 GLY H 1.872 . 2.310 2.403 2.375 2.431 0.121 16 0 "[ . 1 . 2]" 1
1272 1 27 GLN H 1 28 GLY H 1.770 . 2.162 1.899 1.844 1.947 . 0 0 "[ . 1 . 2]" 1
1273 1 25 TYR H 1 25 TYR HD1 2.130 . 2.697 2.438 2.329 2.588 . 0 0 "[ . 1 . 2]" 1
1274 1 12 HIS HD2 1 13 GLU H 4.172 . 6.348 4.961 4.143 5.745 . 0 0 "[ . 1 . 2]" 1
1275 1 66 TYR HD1 1 67 ASP H 4.429 . 6.881 5.150 4.580 5.601 . 0 0 "[ . 1 . 2]" 1
1276 1 39 GLN HE21 1 84 PHE HE1 3.830 . 5.664 3.795 2.208 5.206 . 0 0 "[ . 1 . 2]" 1
1277 1 22 PHE HD1 1 71 PHE HD1 3.654 . 5.323 3.374 3.184 3.526 . 0 0 "[ . 1 . 2]" 1
1278 1 22 PHE HD1 1 71 PHE HE1 2.617 . 3.473 3.479 3.330 3.545 0.072 6 0 "[ . 1 . 2]" 1
1279 1 84 PHE HE1 1 88 HIS HD2 3.641 . 5.298 4.016 3.138 4.502 . 0 0 "[ . 1 . 2]" 1
1280 1 84 PHE HD1 1 88 HIS HD2 3.748 . 5.504 2.635 2.138 3.155 . 0 0 "[ . 1 . 2]" 1
1281 1 22 PHE HD1 1 66 TYR HD1 3.121 . 4.338 4.513 4.402 4.600 0.262 10 0 "[ . 1 . 2]" 1
1282 1 39 GLN HE22 1 88 HIS HD2 3.050 . 4.213 3.515 2.795 4.156 . 0 0 "[ . 1 . 2]" 1
1283 1 44 ALA H 1 81 TYR HE1 3.306 . 4.673 4.717 4.457 4.857 0.184 5 0 "[ . 1 . 2]" 1
1284 1 45 PHE HD1 1 81 TYR HE1 3.724 . 5.458 5.380 4.868 5.559 0.101 18 0 "[ . 1 . 2]" 1
1285 1 45 PHE HE1 1 81 TYR HE1 2.867 . 3.894 3.457 3.026 3.627 . 0 0 "[ . 1 . 2]" 1
1286 1 41 ILE H 1 81 TYR HE1 4.256 . 6.520 5.943 5.663 6.119 . 0 0 "[ . 1 . 2]" 1
1287 1 22 PHE HZ 1 32 VAL H 3.482 . 4.998 4.053 3.533 4.330 . 0 0 "[ . 1 . 2]" 1
1288 1 18 ILE H 1 72 PHE HE1 4.023 . 6.046 5.742 5.071 6.001 . 0 0 "[ . 1 . 2]" 1
1289 1 24 SER H 1 26 ALA H 3.877 . 5.756 4.585 4.489 4.648 . 0 0 "[ . 1 . 2]" 1
1290 1 73 SER H 1 75 VAL H 3.479 . 4.992 4.258 4.137 4.392 . 0 0 "[ . 1 . 2]" 1
1291 1 68 ARG H 1 69 SER H 2.567 . 3.391 2.771 2.489 2.952 . 0 0 "[ . 1 . 2]" 1
1292 1 35 ALA H 1 37 ILE H 2.395 . 3.112 3.564 3.459 3.854 0.742 5 2 "[ + 1 - 2]" 1
1293 1 61 ALA H 1 62 ALA H 1.697 . 2.057 2.082 1.676 2.291 0.234 8 0 "[ . 1 . 2]" 1
1294 1 96 GLU H 1 97 LYS H 2.223 . 2.841 2.540 1.916 2.935 0.094 13 0 "[ . 1 . 2]" 1
1295 1 101 ILE H 1 102 ASP H 1.966 . 2.449 2.163 1.591 2.632 0.183 12 0 "[ . 1 . 2]" 1
1296 1 67 ASP H 1 68 ARG H 3.018 . 4.157 4.389 4.303 4.458 0.301 7 0 "[ . 1 . 2]" 1
1297 1 100 GLU H 1 101 ILE H 2.469 . 3.231 2.854 2.268 3.320 0.089 15 0 "[ . 1 . 2]" 1
1298 1 102 ASP H 1 103 ALA H 1.941 . 2.412 2.505 2.017 3.543 1.131 10 1 "[ . + . 2]" 1
1299 1 8 VAL H 1 10 ILE H 1.983 . 2.474 2.644 2.536 2.839 0.365 10 0 "[ . 1 . 2]" 1
1300 1 25 TYR H 1 26 ALA H 2.111 . 2.668 2.690 2.625 2.729 0.061 11 0 "[ . 1 . 2]" 1
1301 1 80 GLN QE 1 81 TYR H 3.721 . 5.452 3.162 2.409 3.940 . 0 0 "[ . 1 . 2]" 1
1302 1 56 LYS H 1 57 LYS H 2.446 . 3.194 2.861 2.703 3.003 . 0 0 "[ . 1 . 2]" 1
1303 1 57 LYS H 1 58 LYS H 2.001 . 2.502 2.450 2.244 2.542 0.040 19 0 "[ . 1 . 2]" 1
1304 1 50 TRP HZ3 1 54 GLN HE21 2.321 . 2.995 3.055 2.941 3.148 0.153 6 0 "[ . 1 . 2]" 1
1305 1 50 TRP HH2 1 54 GLN HE21 3.084 . 4.273 4.178 3.645 4.616 0.343 5 0 "[ . 1 . 2]" 1
1306 1 39 GLN HE21 1 84 PHE HD1 2.583 . 3.417 2.711 1.728 3.737 0.320 15 0 "[ . 1 . 2]" 1
1307 1 24 SER H 1 89 PHE HE1 4.264 . 6.537 6.601 6.475 6.672 0.135 18 0 "[ . 1 . 2]" 1
1308 1 20 THR H 1 89 PHE HE1 3.859 . 5.720 5.596 5.447 5.738 0.018 12 0 "[ . 1 . 2]" 1
1309 1 39 GLN H 1 40 LEU H 2.402 . 3.123 2.721 2.639 2.827 . 0 0 "[ . 1 . 2]" 1
1310 1 87 GLN H 1 88 HIS H 1.981 . 2.471 2.483 2.378 2.533 0.062 8 0 "[ . 1 . 2]" 1
1311 1 20 THR H 1 89 PHE HD1 3.833 . 5.670 5.242 5.077 5.454 . 0 0 "[ . 1 . 2]" 1
1312 1 75 VAL H 1 78 ASP H 3.546 . 5.118 4.954 4.813 5.086 . 0 0 "[ . 1 . 2]" 1
1313 1 77 SER H 1 78 ASP H 2.190 . 2.789 2.107 1.910 2.268 . 0 0 "[ . 1 . 2]" 1
1314 1 81 TYR H 1 84 PHE H 2.847 . 3.860 4.085 4.028 4.148 0.288 2 0 "[ . 1 . 2]" 1
1315 1 64 ASN HD21 1 65 GLY H 2.416 . 3.146 3.373 3.199 3.569 0.423 15 0 "[ . 1 . 2]" 1
1316 1 60 ARG H 1 62 ALA H 3.167 . 4.421 3.406 2.544 4.430 0.009 18 0 "[ . 1 . 2]" 1
1317 1 75 VAL H 1 76 ALA H 2.330 . 3.009 2.639 2.516 2.718 . 0 0 "[ . 1 . 2]" 1
1318 1 64 ASN HA 1 64 ASN HB3 2.995 . 4.116 2.556 2.462 2.679 . 0 0 "[ . 1 . 2]" 1
1319 1 45 PHE HA 1 46 PRO HG3 6.423 . 11.579 4.349 4.184 4.869 . 0 0 "[ . 1 . 2]" 1
1320 1 23 LEU HB3 1 30 ASP HA 3.341 . 4.736 3.918 3.516 4.546 . 0 0 "[ . 1 . 2]" 1
1321 1 110 LYS HA 1 111 GLY HA3 4.048 . 6.097 4.502 4.326 4.755 . 0 0 "[ . 1 . 2]" 1
1322 1 110 LYS HA 1 110 LYS QE 5.451 . 9.165 4.184 2.541 5.657 . 0 0 "[ . 1 . 2]" 1
1323 1 45 PHE HA 1 46 PRO QD 3.009 . 3.236 1.970 1.847 2.429 0.030 18 0 "[ . 1 . 2]" 1
1324 1 29 GLN HA 1 29 GLN HB2 2.723 . 3.650 2.990 2.661 3.021 . 0 0 "[ . 1 . 2]" 1
1325 1 66 TYR HA 1 67 ASP QB 2.847 . 3.860 3.856 3.720 3.920 0.060 6 0 "[ . 1 . 2]" 1
1326 1 66 TYR HA 1 70 ALA MB 2.672 . 3.564 3.245 2.828 3.565 0.001 20 0 "[ . 1 . 2]" 1
1327 1 110 LYS HA 1 110 LYS HG3 3.728 . 5.465 3.307 2.486 3.863 . 0 0 "[ . 1 . 2]" 1
1328 1 36 MET HA 1 36 MET HG2 4.482 . 6.994 2.636 2.059 2.788 . 0 0 "[ . 1 . 2]" 1
1329 1 7 MET HA 1 7 MET HB3 2.460 . 3.216 2.784 2.419 3.029 . 0 0 "[ . 1 . 2]" 1
1330 1 45 PHE HB2 1 46 PRO HA 3.031 . 4.180 4.541 4.456 4.745 0.565 16 1 "[ . 1 .+ 2]" 1
1331 1 91 CYS QB 1 92 ALA HA 3.822 . 5.648 4.673 4.191 5.091 . 0 0 "[ . 1 . 2]" 1
1332 1 10 ILE HA 1 10 ILE HG12 3.583 . 5.188 2.565 2.413 2.762 . 0 0 "[ . 1 . 2]" 1
1333 1 10 ILE HA 1 10 ILE MG 2.617 . 3.473 2.398 2.273 2.453 . 0 0 "[ . 1 . 2]" 1
1334 1 10 ILE HA 1 14 ASP HB3 3.767 . 5.541 2.357 1.931 2.614 0.062 3 0 "[ . 1 . 2]" 1
1335 1 20 THR HB 1 102 ASP HB3 3.663 . 5.341 4.522 3.030 5.385 0.044 10 0 "[ . 1 . 2]" 1
1336 1 12 HIS HA 1 15 THR MG 3.794 . 5.593 4.918 4.664 5.139 . 0 0 "[ . 1 . 2]" 1
1337 1 84 PHE HA 1 84 PHE HB3 2.879 . 3.915 2.955 2.923 3.012 . 0 0 "[ . 1 . 2]" 1
1338 1 14 ASP HA 1 17 ARG QB 3.166 . 4.419 2.451 2.012 4.119 . 0 0 "[ . 1 . 2]" 1
1339 1 61 ALA HA 1 61 ALA MB 2.442 . 3.187 2.123 2.091 2.134 . 0 0 "[ . 1 . 2]" 1
1340 1 9 LYS HA 1 9 LYS QG 3.618 . 5.254 2.882 2.663 3.012 . 0 0 "[ . 1 . 2]" 1
1341 1 106 LEU HA 1 106 LEU QD 2.201 . 2.806 2.047 1.858 2.730 . 0 0 "[ . 1 . 2]" 1
1342 1 70 ALA HA 1 70 ALA MB 2.227 . 2.847 2.125 2.117 2.130 . 0 0 "[ . 1 . 2]" 1
1343 1 38 ASP HA 1 38 ASP QB 3.014 . 4.149 2.400 2.231 2.519 . 0 0 "[ . 1 . 2]" 1
1344 1 50 TRP HA 1 53 LEU HB3 2.927 . 3.998 2.484 2.187 2.778 . 0 0 "[ . 1 . 2]" 1
1345 1 35 ALA HA 1 38 ASP QB 2.687 . 3.590 2.874 2.653 3.201 . 0 0 "[ . 1 . 2]" 1
1346 1 101 ILE HA 1 101 ILE MG 2.452 . 3.204 2.284 2.167 2.434 . 0 0 "[ . 1 . 2]" 1
1347 1 16 GLN HA 1 16 GLN HB2 2.831 . 3.833 3.007 2.731 3.033 . 0 0 "[ . 1 . 2]" 1
1348 1 16 GLN HA 1 16 GLN HG3 2.625 . 3.486 2.950 2.307 3.078 . 0 0 "[ . 1 . 2]" 1
1349 1 57 LYS HA 1 57 LYS QG 2.754 . 3.702 2.933 2.511 3.095 . 0 0 "[ . 1 . 2]" 1
1350 1 57 LYS HA 1 57 LYS HB2 2.812 . 3.801 2.880 2.803 3.011 . 0 0 "[ . 1 . 2]" 1
1351 1 16 GLN HA 1 103 ALA MB 2.581 . 3.414 2.954 2.296 3.478 0.064 7 0 "[ . 1 . 2]" 1
1352 1 26 ALA MB 1 32 VAL HA 3.874 . 5.750 2.013 1.915 2.155 0.083 19 0 "[ . 1 . 2]" 1
1353 1 32 VAL HA 1 32 VAL MG2 2.383 . 3.093 2.115 2.065 2.157 . 0 0 "[ . 1 . 2]" 1
1354 1 19 LYS HA 1 19 LYS QG 2.750 . 3.696 2.511 2.102 3.161 . 0 0 "[ . 1 . 2]" 1
1355 1 52 GLN HA 1 55 GLU QG 2.582 . 3.415 2.162 1.961 2.326 . 0 0 "[ . 1 . 2]" 1
1356 1 74 LEU HA 1 74 LEU HB2 2.275 . 2.922 2.470 2.433 2.553 . 0 0 "[ . 1 . 2]" 1
1357 1 38 ASP QB 1 39 GLN HA 3.717 . 5.444 4.009 3.861 4.315 . 0 0 "[ . 1 . 2]" 1
1358 1 79 GLU HA 1 79 GLU QB 1.830 . 2.248 2.165 2.130 2.231 . 0 0 "[ . 1 . 2]" 1
1359 1 9 LYS QB 1 79 GLU HA 2.195 . 2.797 2.847 2.645 2.904 0.107 15 0 "[ . 1 . 2]" 1
1360 1 85 ILE HA 1 85 ILE HG13 2.537 . 3.342 2.829 2.738 2.910 . 0 0 "[ . 1 . 2]" 1
1361 1 76 ALA HA 1 76 ALA MB 2.082 . 2.624 2.124 2.116 2.128 . 0 0 "[ . 1 . 2]" 1
1362 1 34 GLU HA 1 34 GLU QB 2.041 . 2.562 2.251 2.083 2.416 . 0 0 "[ . 1 . 2]" 1
1363 1 85 ILE HA 1 85 ILE MG 2.584 . 3.419 2.583 2.529 2.654 . 0 0 "[ . 1 . 2]" 1
1364 1 55 GLU HA 1 55 GLU HB3 2.046 . 2.569 2.416 2.285 2.477 . 0 0 "[ . 1 . 2]" 1
1365 1 55 GLU HA 1 58 LYS QB 1.939 . 2.409 2.195 1.886 2.414 0.005 18 0 "[ . 1 . 2]" 1
1366 1 34 GLU HA 1 34 GLU HG3 2.649 . 3.526 2.899 2.461 3.810 0.284 13 0 "[ . 1 . 2]" 1
1367 1 34 GLU HA 1 37 ILE HB 2.192 . 2.792 2.031 1.769 2.481 . 0 0 "[ . 1 . 2]" 1
1368 1 34 GLU HA 1 37 ILE HG13 4.281 . 6.572 4.052 3.499 4.710 . 0 0 "[ . 1 . 2]" 1
1369 1 34 GLU HA 1 37 ILE MD 5.342 . 8.910 4.415 4.071 4.995 . 0 0 "[ . 1 . 2]" 1
1370 1 19 LYS QB 1 20 THR HA 2.405 . 3.128 3.386 3.306 3.729 0.601 5 1 "[ + 1 . 2]" 1
1371 1 15 THR HA 1 18 ILE HB 2.738 . 3.675 3.132 2.859 3.501 . 0 0 "[ . 1 . 2]" 1
1372 1 20 THR HA 1 23 LEU HB2 4.366 . 6.749 3.672 3.478 3.910 . 0 0 "[ . 1 . 2]" 1
1373 1 10 ILE MG 1 15 THR HA 2.651 . 3.529 2.654 2.233 2.960 . 0 0 "[ . 1 . 2]" 1
1374 1 72 PHE HA 1 75 VAL MG2 3.294 . 4.650 2.840 2.501 3.063 . 0 0 "[ . 1 . 2]" 1
1375 1 92 ALA MB 1 93 PRO HD2 1.671 . 2.020 2.095 1.888 2.186 0.166 19 0 "[ . 1 . 2]" 1
1376 1 53 LEU HA 1 53 LEU HB2 2.796 . 3.773 2.441 2.384 2.527 . 0 0 "[ . 1 . 2]" 1
1377 1 53 LEU HA 1 53 LEU HB3 2.894 . 3.941 3.015 3.009 3.021 . 0 0 "[ . 1 . 2]" 1
1378 1 53 LEU HA 1 53 LEU MD1 3.034 . 4.185 3.528 3.400 3.640 . 0 0 "[ . 1 . 2]" 1
1379 1 53 LEU HA 1 56 LYS QB . . 2.913 2.206 2.058 2.505 . 0 0 "[ . 1 . 2]" 1
1380 1 48 LEU HB3 1 53 LEU HA 3.015 . 4.152 3.328 2.933 3.641 . 0 0 "[ . 1 . 2]" 1
1381 1 41 ILE MG 1 53 LEU HA 4.767 . 7.607 3.535 3.192 4.045 . 0 0 "[ . 1 . 2]" 1
1382 1 57 LYS QE 1 65 GLY QA 4.605 . 7.256 5.320 4.709 6.013 . 0 0 "[ . 1 . 2]" 1
1383 1 51 GLU HA 1 54 GLN HG2 2.301 . 2.963 2.105 1.860 2.377 . 0 0 "[ . 1 . 2]" 1
1384 1 53 LEU MD2 1 54 GLN HA 2.748 . 3.692 2.668 2.325 3.023 . 0 0 "[ . 1 . 2]" 1
1385 1 23 LEU HA 1 23 LEU HB3 2.250 . 2.883 2.417 2.388 2.455 . 0 0 "[ . 1 . 2]" 1
1386 1 54 GLN HA 1 57 LYS QD 2.480 . 3.249 2.523 2.047 3.377 0.128 18 0 "[ . 1 . 2]" 1
1387 1 17 ARG QD 1 91 CYS QB . . 2.170 2.345 2.171 2.433 0.263 14 0 "[ . 1 . 2]" 1
1388 1 54 GLN HA 1 54 GLN HB3 1.970 . 2.455 2.523 2.485 2.567 0.112 20 0 "[ . 1 . 2]" 1
1389 1 92 ALA MB 1 93 PRO HD3 3.185 . 4.453 3.240 3.092 3.342 . 0 0 "[ . 1 . 2]" 1
1390 1 41 ILE HA 1 74 LEU QD 3.815 . 5.634 3.489 3.331 3.803 . 0 0 "[ . 1 . 2]" 1
1391 1 41 ILE HA 1 41 ILE MD 2.462 . 3.220 2.138 2.017 2.246 . 0 0 "[ . 1 . 2]" 1
1392 1 18 ILE HA 1 18 ILE MG 2.416 . 3.146 2.336 2.291 2.381 . 0 0 "[ . 1 . 2]" 1
1393 1 37 ILE HA 1 37 ILE HG13 2.163 . 2.748 3.076 3.011 3.147 0.399 11 0 "[ . 1 . 2]" 1
1394 1 37 ILE HA 1 37 ILE HB 2.436 . 3.178 2.923 2.886 2.948 . 0 0 "[ . 1 . 2]" 1
1395 1 37 ILE HA 1 37 ILE MD 2.152 . 2.731 1.609 1.577 1.639 . 0 0 "[ . 1 . 2]" 1
1396 1 36 MET QB 1 37 ILE HA 3.789 . 5.583 3.911 3.685 3.966 . 0 0 "[ . 1 . 2]" 1
1397 1 18 ILE HA 1 20 THR MG 3.898 . 5.797 4.581 4.493 4.769 . 0 0 "[ . 1 . 2]" 1
1398 1 46 PRO QD 1 46 PRO HG3 . . 2.301 2.191 2.186 2.207 . 0 0 "[ . 1 . 2]" 1
1399 1 46 PRO HB3 1 46 PRO QD 3.491 . 5.014 3.045 2.636 3.198 . 0 0 "[ . 1 . 2]" 1
1400 1 32 VAL MG2 1 66 TYR HB2 3.590 . 5.201 4.703 4.443 4.841 . 0 0 "[ . 1 . 2]" 1
1401 1 82 VAL HA 1 82 VAL QG 2.130 . 2.697 2.289 2.112 2.466 . 0 0 "[ . 1 . 2]" 1
1402 1 9 LYS QB 1 83 ARG QD 3.584 . 5.190 3.467 2.755 4.079 . 0 0 "[ . 1 . 2]" 1
1403 1 74 LEU HG 1 75 VAL HA 3.452 . 4.942 3.786 3.556 5.094 0.152 15 0 "[ . 1 . 2]" 1
1404 1 75 VAL HA 1 82 VAL QG 5.765 . 9.920 3.530 3.450 3.610 . 0 0 "[ . 1 . 2]" 1
1405 1 40 LEU MD1 1 75 VAL HA 3.503 . 5.037 3.600 3.381 3.853 . 0 0 "[ . 1 . 2]" 1
1406 1 68 ARG HA 1 68 ARG HB3 2.976 . 4.083 2.380 2.230 2.491 . 0 0 "[ . 1 . 2]" 1
1407 1 14 ASP HB3 1 18 ILE MD 3.419 . 4.880 2.949 2.694 3.347 . 0 0 "[ . 1 . 2]" 1
1408 1 9 LYS HD3 1 9 LYS HE3 2.609 . 3.460 2.859 2.450 3.019 . 0 0 "[ . 1 . 2]" 1
1409 1 22 PHE HB2 1 85 ILE MD 2.188 . 2.787 2.446 2.328 2.669 . 0 0 "[ . 1 . 2]" 1
1410 1 31 LYS QD 1 31 LYS QE 1.737 . 2.114 1.976 1.936 2.052 . 0 0 "[ . 1 . 2]" 1
1411 1 40 LEU MD1 1 81 TYR HB3 1.655 . 1.997 1.979 1.837 2.072 0.075 1 0 "[ . 1 . 2]" 1
1412 1 25 TYR HB2 1 32 VAL MG2 3.187 . 4.457 4.029 3.843 4.227 . 0 0 "[ . 1 . 2]" 1
1413 1 75 VAL HB 1 81 TYR HB3 4.080 . 6.161 4.322 4.148 4.719 . 0 0 "[ . 1 . 2]" 1
1414 1 48 LEU QD 1 56 LYS QE 2.317 . 2.988 2.510 1.839 2.919 . 0 0 "[ . 1 . 2]" 1
1415 1 10 ILE MG 1 14 ASP HB2 2.066 . 2.600 2.708 2.449 3.436 0.836 3 3 "[ + . - 1 * 2]" 1
1416 1 8 VAL QG 1 79 GLU QB 4.067 . 6.135 2.039 1.765 2.599 0.234 3 0 "[ . 1 . 2]" 1
1417 1 48 LEU HB3 1 48 LEU HG 2.913 . 3.973 2.991 2.537 3.023 . 0 0 "[ . 1 . 2]" 1
1418 1 80 GLN QB 1 80 GLN HG3 2.174 . 2.765 2.366 2.111 2.524 . 0 0 "[ . 1 . 2]" 1
1419 1 40 LEU HB2 1 40 LEU MD1 1.394 . 1.637 1.900 1.860 1.934 0.297 1 0 "[ . 1 . 2]" 1
1420 1 18 ILE HB 1 18 ILE MG 2.066 . 2.599 2.128 2.122 2.133 . 0 0 "[ . 1 . 2]" 1
1421 1 60 ARG HB3 1 60 ARG HG3 2.541 . 3.348 2.406 2.346 2.582 . 0 0 "[ . 1 . 2]" 1
1422 1 40 LEU HB2 1 40 LEU MD2 2.945 . 4.029 2.779 2.680 2.885 . 0 0 "[ . 1 . 2]" 1
1423 1 37 ILE HB 1 37 ILE HG13 2.869 . 3.898 2.779 2.720 2.841 . 0 0 "[ . 1 . 2]" 1
1424 1 37 ILE HB 1 37 ILE MD 2.507 . 3.293 3.038 2.964 3.098 . 0 0 "[ . 1 . 2]" 1
1425 1 53 LEU HG 1 57 LYS QD 2.753 . 3.701 2.909 2.346 3.683 . 0 0 "[ . 1 . 2]" 1
1426 1 78 ASP HB3 1 79 GLU QB 4.795 . 7.670 5.404 5.049 5.588 . 0 0 "[ . 1 . 2]" 1
1427 1 34 GLU QB 1 57 LYS QE 3.833 . 5.670 4.249 3.220 5.080 . 0 0 "[ . 1 . 2]" 1
1428 1 27 GLN HB2 1 29 GLN HG3 1.227 . 1.415 1.697 1.649 1.845 0.430 19 0 "[ . 1 . 2]" 1
1429 1 79 GLU QG 1 83 ARG QD 1.869 . 2.305 2.295 2.068 2.396 0.091 1 0 "[ . 1 . 2]" 1
1430 1 78 ASP HB3 1 81 TYR HB3 4.233 . 6.473 4.371 4.101 4.643 . 0 0 "[ . 1 . 2]" 1
1431 1 36 MET HG2 1 39 GLN QG 3.997 . 5.994 5.019 3.404 5.858 . 0 0 "[ . 1 . 2]" 1
1432 1 91 CYS QB 1 102 ASP HB3 4.261 . 6.530 6.176 5.467 6.674 0.144 5 0 "[ . 1 . 2]" 1
1433 1 45 PHE HB2 1 46 PRO QD 3.533 . 5.093 3.505 2.445 3.825 . 0 0 "[ . 1 . 2]" 1
1434 1 25 TYR HB3 1 39 GLN QG 4.137 . 6.277 5.503 4.685 6.214 . 0 0 "[ . 1 . 2]" 1
1435 1 84 PHE HB3 1 85 ILE HB 4.025 . 6.050 4.345 4.221 4.429 . 0 0 "[ . 1 . 2]" 1
1436 1 25 TYR HB2 1 36 MET ME 3.607 . 5.233 2.515 2.004 3.959 . 0 0 "[ . 1 . 2]" 1
1437 1 32 VAL HB 1 71 PHE QB 3.844 . 5.691 4.396 4.267 4.511 . 0 0 "[ . 1 . 2]" 1
1438 1 78 ASP HB3 1 80 GLN HG3 4.808 . 7.698 4.726 3.778 5.129 . 0 0 "[ . 1 . 2]" 1
1439 1 54 GLN HA 1 54 GLN HB2 1.850 . 2.278 2.339 2.301 2.360 0.082 13 0 "[ . 1 . 2]" 1
1440 1 56 LYS HD3 1 56 LYS QE 3.180 . 4.444 2.276 2.167 2.440 . 0 0 "[ . 1 . 2]" 1
1441 1 83 ARG QD 1 83 ARG QG 1.541 . 1.838 1.960 1.875 2.030 0.192 18 0 "[ . 1 . 2]" 1
1442 1 57 LYS HB2 1 57 LYS QE 2.217 . 2.832 2.344 1.963 2.701 . 0 0 "[ . 1 . 2]" 1
1443 1 40 LEU HG 1 81 TYR HB3 3.481 . 4.996 3.780 3.562 3.922 . 0 0 "[ . 1 . 2]" 1
1444 1 21 ALA MB 1 89 PHE HB3 3.482 . 4.998 2.184 1.956 2.426 0.010 12 0 "[ . 1 . 2]" 1
1445 1 21 ALA HA 1 21 ALA MB 2.283 . 2.935 2.129 2.126 2.132 . 0 0 "[ . 1 . 2]" 1
1446 1 18 ILE HA 1 18 ILE HG12 3.061 . 4.233 3.013 2.981 3.059 . 0 0 "[ . 1 . 2]" 1
1447 1 75 VAL MG1 1 81 TYR HB3 2.154 . 2.734 1.965 1.866 2.173 . 0 0 "[ . 1 . 2]" 1
1448 1 32 VAL MG2 1 66 TYR HB3 3.895 . 5.791 4.206 3.952 4.441 . 0 0 "[ . 1 . 2]" 1
1449 1 22 PHE HA 1 32 VAL MG2 2.985 . 4.099 3.039 2.780 3.244 . 0 0 "[ . 1 . 2]" 1
1450 1 22 PHE HB2 1 32 VAL MG2 4.287 . 6.585 3.652 3.547 3.772 . 0 0 "[ . 1 . 2]" 1
1451 1 40 LEU MD2 1 78 ASP HB3 4.201 . 6.407 6.124 5.920 6.333 . 0 0 "[ . 1 . 2]" 1
1452 1 37 ILE MD 1 71 PHE QB 3.972 . 5.944 3.280 2.899 3.506 . 0 0 "[ . 1 . 2]" 1
1453 1 75 VAL HA 1 75 VAL MG2 2.534 . 3.336 2.440 2.385 2.494 . 0 0 "[ . 1 . 2]" 1
1454 1 75 VAL MG2 1 78 ASP HB3 4.436 . 6.896 5.625 5.339 5.845 . 0 0 "[ . 1 . 2]" 1
1455 1 45 PHE HB3 1 46 PRO QD 2.680 . 3.578 3.243 1.882 3.614 0.036 15 0 "[ . 1 . 2]" 1
1456 1 66 TYR HB3 1 71 PHE QB 2.068 . 2.602 2.512 1.945 2.765 0.163 20 0 "[ . 1 . 2]" 1
1457 1 75 VAL HA 1 78 ASP HB2 2.130 . 2.697 2.778 2.698 2.821 0.124 17 0 "[ . 1 . 2]" 1
1458 1 57 LYS QE 1 66 TYR HB2 3.282 . 4.628 4.385 4.166 4.571 . 0 0 "[ . 1 . 2]" 1
1459 1 110 LYS QE 1 112 PHE QB 2.808 . 3.794 2.874 1.932 3.644 . 0 0 "[ . 1 . 2]" 1
1460 1 39 GLN QG 1 84 PHE HB3 3.945 . 5.891 5.239 4.847 5.725 . 0 0 "[ . 1 . 2]" 1
1461 1 9 LYS QB 1 82 VAL HB 2.937 . 4.015 3.636 2.557 4.004 . 0 0 "[ . 1 . 2]" 1
1462 1 10 ILE HG12 1 82 VAL HB 3.112 . 4.323 2.972 2.260 4.361 0.038 19 0 "[ . 1 . 2]" 1
1463 1 85 ILE HB 1 85 ILE HG13 2.202 . 2.808 2.419 2.397 2.437 . 0 0 "[ . 1 . 2]" 1
1464 1 16 GLN HG3 1 103 ALA MB 2.064 . 2.596 1.983 1.711 2.648 0.052 8 0 "[ . 1 . 2]" 1
1465 1 53 LEU HG 1 57 LYS QE 3.189 . 4.460 4.202 3.940 4.388 . 0 0 "[ . 1 . 2]" 1
1466 1 32 VAL MG1 1 36 MET HG3 5.247 . 8.688 3.533 3.366 3.737 . 0 0 "[ . 1 . 2]" 1
1467 1 85 ILE HB 1 85 ILE MG 2.169 . 2.757 2.124 2.117 2.132 . 0 0 "[ . 1 . 2]" 1
1468 1 14 ASP HB2 1 18 ILE MD 3.708 . 5.427 3.843 3.622 4.218 . 0 0 "[ . 1 . 2]" 1
1469 1 18 ILE MD 1 82 VAL HB 2.900 . 3.952 2.394 1.850 4.002 0.050 4 0 "[ . 1 . 2]" 1
1470 1 26 ALA MB 1 36 MET QB 3.335 . 4.725 2.171 1.926 2.344 0.019 13 0 "[ . 1 . 2]" 1
1471 1 32 VAL HB 1 32 VAL MG2 2.179 . 2.773 2.103 2.095 2.109 . 0 0 "[ . 1 . 2]" 1
1472 1 27 GLN HB2 1 29 GLN HB2 2.569 . 3.394 2.811 2.536 3.799 0.405 19 0 "[ . 1 . 2]" 1
1473 1 25 TYR HB3 1 36 MET HG3 1.525 . 1.816 1.886 1.843 1.927 0.111 15 0 "[ . 1 . 2]" 1
1474 1 48 LEU HB3 1 53 LEU HB2 1.914 . 2.372 2.406 2.210 2.468 0.096 7 0 "[ . 1 . 2]" 1
1475 1 57 LYS HB3 1 57 LYS QG 2.052 . 2.578 2.175 2.126 2.393 . 0 0 "[ . 1 . 2]" 1
1476 1 32 VAL MG1 1 36 MET QB 2.370 . 2.899 1.813 1.742 1.921 . 0 0 "[ . 1 . 2]" 1
1477 1 9 LYS QB 1 9 LYS QG 1.855 . 2.285 1.988 1.890 2.010 . 0 0 "[ . 1 . 2]" 1
1478 1 9 LYS QB 1 82 VAL QG 1.539 . 1.835 1.833 1.719 1.954 0.119 6 0 "[ . 1 . 2]" 1
1479 1 41 ILE HG13 1 53 LEU MD1 2.874 . 3.906 3.224 2.433 3.594 . 0 0 "[ . 1 . 2]" 1
1480 1 37 ILE HB 1 37 ILE HG12 2.066 . 2.600 2.235 2.227 2.248 . 0 0 "[ . 1 . 2]" 1
1481 1 18 ILE HB 1 18 ILE HG12 2.882 . 3.920 2.917 2.902 2.928 . 0 0 "[ . 1 . 2]" 1
1482 1 53 LEU MD2 1 57 LYS QD 2.037 . 2.556 1.924 1.777 2.073 . 0 0 "[ . 1 . 2]" 1
1483 1 36 MET QB 1 37 ILE MD 3.639 . 5.295 3.065 2.707 3.331 . 0 0 "[ . 1 . 2]" 1
1484 1 75 VAL HB 1 75 VAL MG2 2.158 . 2.740 2.116 2.105 2.124 . 0 0 "[ . 1 . 2]" 1
1485 1 22 PHE HA 1 36 MET QB 3.294 . 4.650 3.642 3.358 4.710 0.060 19 0 "[ . 1 . 2]" 1
1486 1 40 LEU HG 1 75 VAL MG2 3.979 . 5.958 3.707 3.629 3.856 . 0 0 "[ . 1 . 2]" 1
1487 1 32 VAL MG1 1 37 ILE MD 1.516 . 1.803 1.830 1.750 1.869 0.066 4 0 "[ . 1 . 2]" 1
1488 1 40 LEU HG 1 74 LEU QD 4.583 . 7.208 3.486 2.994 3.773 . 0 0 "[ . 1 . 2]" 1
1489 1 41 ILE HG12 1 74 LEU QD 3.077 . 4.260 3.462 3.245 3.822 . 0 0 "[ . 1 . 2]" 1
1490 1 37 ILE MD 1 40 LEU HB3 3.254 . 4.578 3.344 2.994 3.553 . 0 0 "[ . 1 . 2]" 1
1491 1 32 VAL MG1 1 37 ILE HG13 3.917 . 5.835 3.403 3.277 3.515 . 0 0 "[ . 1 . 2]" 1
1492 1 40 LEU MD2 1 40 LEU HG 2.288 . 2.942 2.132 2.130 2.135 . 0 0 "[ . 1 . 2]" 1
1493 1 40 LEU MD2 1 41 ILE HG12 2.595 . 3.437 2.654 2.431 2.861 . 0 0 "[ . 1 . 2]" 1
1494 1 37 ILE HG13 1 37 ILE MG 2.358 . 3.053 2.127 2.094 2.174 . 0 0 "[ . 1 . 2]" 1
1495 1 32 VAL MG2 1 37 ILE HG12 3.520 . 5.068 4.359 4.139 4.476 . 0 0 "[ . 1 . 2]" 1
1496 1 41 ILE MD 1 41 ILE HG12 1.827 . 2.244 2.108 2.102 2.112 . 0 0 "[ . 1 . 2]" 1
1497 1 53 LEU MD1 1 53 LEU MD2 1.961 . 2.442 2.075 2.068 2.087 . 0 0 "[ . 1 . 2]" 1
1498 1 10 ILE MG 1 75 VAL MG1 3.521 . 5.070 5.104 4.792 5.209 0.139 4 0 "[ . 1 . 2]" 1
1499 1 68 ARG HB3 1 68 ARG HG3 2.553 . 3.368 2.977 2.588 3.015 . 0 0 "[ . 1 . 2]" 1
1500 1 10 ILE MD 1 10 ILE HG13 1.852 . 2.281 2.119 2.113 2.122 . 0 0 "[ . 1 . 2]" 1
1501 1 15 THR MG 1 18 ILE MD 2.348 . 3.037 3.007 2.881 3.165 0.128 11 0 "[ . 1 . 2]" 1
1502 1 26 ALA MB 1 33 THR MG 3.152 . 4.394 3.038 2.837 3.238 . 0 0 "[ . 1 . 2]" 1
1503 1 53 LEU MD1 1 53 LEU HG 1.796 . 2.199 2.133 2.126 2.140 . 0 0 "[ . 1 . 2]" 1
1504 1 103 ALA MB 1 104 LEU QD 1.953 . 2.430 2.187 1.650 2.521 0.091 16 0 "[ . 1 . 2]" 1
1505 1 10 ILE MG 1 15 THR MG 2.400 . 3.120 1.947 1.767 2.456 . 0 0 "[ . 1 . 2]" 1
1506 1 23 LEU MD2 1 68 ARG HB3 1.772 . 2.164 2.161 1.973 2.247 0.083 15 0 "[ . 1 . 2]" 1
1507 1 40 LEU MD1 1 40 LEU HG 1.712 . 2.079 2.088 2.079 2.105 0.026 4 0 "[ . 1 . 2]" 1
1508 1 10 ILE HG13 1 82 VAL QG 1.795 . 2.198 2.170 2.028 2.225 0.027 17 0 "[ . 1 . 2]" 1
1509 1 40 LEU HB3 1 40 LEU MD2 2.525 . 3.322 2.156 2.136 2.182 . 0 0 "[ . 1 . 2]" 1
1510 1 21 ALA MB 1 85 ILE MG 1.579 . 1.891 1.738 1.703 1.762 . 0 0 "[ . 1 . 2]" 1
1511 1 32 VAL MG1 1 32 VAL MG2 2.055 . 2.583 2.014 1.987 2.040 . 0 0 "[ . 1 . 2]" 1
1512 1 40 LEU MD1 1 75 VAL MG2 2.149 . 2.726 1.823 1.755 1.951 . 0 0 "[ . 1 . 2]" 1
1513 1 18 ILE MG 1 75 VAL MG2 3.223 . 4.522 2.224 2.164 2.314 . 0 0 "[ . 1 . 2]" 1
1514 1 75 VAL MG1 1 75 VAL MG2 1.476 . 1.748 1.928 1.902 1.945 0.197 17 0 "[ . 1 . 2]" 1
1515 1 32 VAL MG2 1 37 ILE HG13 3.491 . 5.014 5.270 5.175 5.356 0.342 13 0 "[ . 1 . 2]" 1
1516 1 37 ILE MD 1 37 ILE HG13 1.642 . 1.979 2.096 2.092 2.100 0.121 15 0 "[ . 1 . 2]" 1
1517 1 31 LYS QE 1 65 GLY QA 2.280 . 2.930 2.575 1.995 3.050 0.120 12 0 "[ . 1 . 2]" 1
1518 1 24 SER HA 1 24 SER QB 1.630 . 1.962 2.200 2.133 2.252 0.290 18 0 "[ . 1 . 2]" 1
1519 1 68 ARG HA 1 71 PHE QB 2.726 . 3.655 2.728 2.376 3.287 . 0 0 "[ . 1 . 2]" 1
1520 1 14 ASP HB3 1 17 ARG QD 3.038 . 4.192 3.716 3.143 4.211 0.019 3 0 "[ . 1 . 2]" 1
1521 1 112 PHE HA 1 112 PHE QB 3.047 . 4.207 2.386 2.332 2.422 . 0 0 "[ . 1 . 2]" 1
1522 1 15 THR HA 1 72 PHE HE1 4.312 . 6.636 3.248 2.836 3.543 . 0 0 "[ . 1 . 2]" 1
1523 1 36 MET HA 1 36 MET QB 3.083 . 4.271 2.477 2.456 2.539 . 0 0 "[ . 1 . 2]" 1
1524 1 71 PHE HZ 1 85 ILE MD 2.501 . 3.283 1.817 1.739 1.872 . 0 0 "[ . 1 . 2]" 1
1525 1 37 ILE HB 1 38 ASP H 2.397 . 3.115 2.896 2.699 3.154 0.039 13 0 "[ . 1 . 2]" 1
1526 1 38 ASP HA 1 41 ILE HG13 3.189 . 4.460 4.076 3.600 4.459 . 0 0 "[ . 1 . 2]" 1
1527 1 56 LYS HA 1 57 LYS H 2.756 . 3.706 3.527 3.453 3.559 . 0 0 "[ . 1 . 2]" 1
1528 1 31 LYS HA 1 32 VAL H 2.314 . 2.983 2.625 2.478 2.739 . 0 0 "[ . 1 . 2]" 1
1529 1 32 VAL MG2 1 37 ILE MD 2.407 . 3.131 3.005 2.846 3.109 . 0 0 "[ . 1 . 2]" 1
1530 1 37 ILE MD 1 75 VAL MG2 3.603 . 5.226 5.116 4.858 5.258 0.032 3 0 "[ . 1 . 2]" 1
1531 1 37 ILE MD 1 37 ILE HG12 2.414 . 3.143 2.119 2.113 2.123 . 0 0 "[ . 1 . 2]" 1
1532 1 95 GLU QB 1 95 GLU HG3 1.481 . 1.755 2.020 1.908 2.138 0.383 6 0 "[ . 1 . 2]" 1
1533 1 94 GLU HB2 1 94 GLU HG3 1.803 . 2.209 2.287 2.128 2.675 0.466 6 0 "[ . 1 . 2]" 1
1534 1 10 ILE MD 1 10 ILE MG 1.766 . 2.156 1.738 1.662 1.825 . 0 0 "[ . 1 . 2]" 1
1535 1 18 ILE MD 1 82 VAL QG 2.043 . 2.565 1.967 1.671 2.487 . 0 0 "[ . 1 . 2]" 1
1536 1 90 PRO HD2 1 90 PRO HG3 2.062 . 2.593 2.216 2.169 2.258 . 0 0 "[ . 1 . 2]" 1
1537 1 10 ILE HG12 1 82 VAL QG 2.130 . 2.697 2.168 1.941 2.535 . 0 0 "[ . 1 . 2]" 1
1538 1 94 GLU HA 1 94 GLU HG3 2.499 . 3.280 2.535 2.070 3.107 . 0 0 "[ . 1 . 2]" 1
1539 1 10 ILE MG 1 103 ALA MB 2.726 . 3.655 3.938 3.827 4.141 0.486 14 0 "[ . 1 . 2]" 1
1540 1 100 GLU QG 1 101 ILE MD 2.888 . 3.930 2.913 2.082 3.988 0.058 2 0 "[ . 1 . 2]" 1
1541 1 40 LEU HG 1 74 LEU QD 2.869 . 3.898 3.285 2.954 3.449 . 0 0 "[ . 1 . 2]" 1
1542 1 54 GLN H 1 54 GLN HG2 2.558 . 3.376 2.373 2.203 2.651 . 0 0 "[ . 1 . 2]" 1
1543 1 57 LYS QG 1 61 ALA MB 3.041 . 4.197 3.331 3.099 3.613 . 0 0 "[ . 1 . 2]" 1
1544 1 83 ARG H 1 83 ARG QB 2.528 . 3.327 2.308 2.004 2.568 . 0 0 "[ . 1 . 2]" 1
1545 1 41 ILE HG12 1 45 PHE HE1 3.815 . 5.634 2.172 1.605 3.432 0.391 9 0 "[ . 1 . 2]" 1
1546 1 10 ILE HB 1 10 ILE HG13 2.447 . 3.195 2.322 2.174 2.433 . 0 0 "[ . 1 . 2]" 1
1547 1 21 ALA H 1 85 ILE MG 2.932 . 4.007 2.763 2.677 2.822 . 0 0 "[ . 1 . 2]" 1
1548 1 46 PRO HA 1 46 PRO HG3 3.288 . 4.640 3.072 2.838 3.597 . 0 0 "[ . 1 . 2]" 1
1549 1 15 THR MG 1 82 VAL QG 2.762 . 3.716 2.120 1.696 2.906 0.112 14 0 "[ . 1 . 2]" 1
1550 1 37 ILE MG 1 38 ASP QB 3.268 . 4.603 3.239 2.786 3.532 . 0 0 "[ . 1 . 2]" 1
1551 1 18 ILE MG 1 22 PHE HA 3.162 . 4.411 4.391 4.269 4.454 0.043 15 0 "[ . 1 . 2]" 1
1552 1 95 GLU HA 1 95 GLU QB 2.858 . 3.879 2.178 2.033 2.305 . 0 0 "[ . 1 . 2]" 1
1553 1 55 GLU QG 1 56 LYS HG3 3.162 . 4.412 2.934 1.988 4.561 0.149 15 0 "[ . 1 . 2]" 1
1554 1 41 ILE MD 1 57 LYS QG 2.985 . 4.099 2.560 2.285 2.823 . 0 0 "[ . 1 . 2]" 1
1555 1 56 LYS HA 1 56 LYS QB 2.770 . 3.729 2.157 2.039 2.249 . 0 0 "[ . 1 . 2]" 1
1556 1 95 GLU HA 1 95 GLU QB 2.813 . 3.802 2.075 1.942 2.167 . 0 0 "[ . 1 . 2]" 1
1557 1 40 LEU HA 1 44 ALA MB 3.611 . 5.241 5.146 4.896 5.346 0.105 1 0 "[ . 1 . 2]" 1
1558 1 37 ILE MG 1 57 LYS HB3 3.423 . 4.888 3.604 2.866 4.450 . 0 0 "[ . 1 . 2]" 1
1559 1 40 LEU H 1 40 LEU HG 3.284 . 4.632 3.844 3.779 3.914 . 0 0 "[ . 1 . 2]" 1
1560 1 25 TYR HB2 1 32 VAL MG1 3.354 . 4.760 3.755 3.633 4.063 . 0 0 "[ . 1 . 2]" 1
1561 1 54 GLN H 1 54 GLN HB2 3.189 . 4.460 3.330 3.300 3.374 . 0 0 "[ . 1 . 2]" 1
1562 1 95 GLU HA 1 96 GLU H 2.921 . 3.987 2.200 1.918 2.423 . 0 0 "[ . 1 . 2]" 1
1563 1 93 PRO HB3 1 93 PRO HD2 3.537 . 5.101 3.195 2.882 3.537 . 0 0 "[ . 1 . 2]" 1
1564 1 8 VAL QG 1 79 GLU HA 2.973 . 4.078 1.826 1.658 2.572 0.210 17 0 "[ . 1 . 2]" 1
1565 1 10 ILE H 1 10 ILE HG12 3.498 . 5.028 3.599 3.018 3.953 . 0 0 "[ . 1 . 2]" 1
1566 1 94 GLU HA 1 94 GLU HB2 3.148 . 4.387 2.066 1.954 2.132 . 0 0 "[ . 1 . 2]" 1
1567 1 40 LEU HA 1 40 LEU MD2 3.555 . 5.135 3.269 3.191 3.398 . 0 0 "[ . 1 . 2]" 1
1568 1 34 GLU HG3 1 37 ILE MG 3.497 . 5.026 3.201 2.247 5.198 0.172 17 0 "[ . 1 . 2]" 1
1569 1 21 ALA HA 1 85 ILE MD 3.459 . 4.955 4.212 4.098 4.291 . 0 0 "[ . 1 . 2]" 1
1570 1 31 LYS QD 1 66 TYR HB2 3.778 . 5.562 4.544 4.280 4.720 . 0 0 "[ . 1 . 2]" 1
1571 1 18 ILE HG13 1 75 VAL MG2 3.662 . 5.338 4.447 4.328 4.573 . 0 0 "[ . 1 . 2]" 1
1572 1 23 LEU HB3 1 30 ASP HB3 3.873 . 5.748 5.796 5.074 6.635 0.887 16 2 "[ . 1 - .+ 2]" 1
1573 1 17 ARG QB 1 21 ALA H 3.991 . 5.982 4.353 3.896 4.696 . 0 0 "[ . 1 . 2]" 1
1574 1 8 VAL HA 1 8 VAL QG 3.478 . 4.990 2.047 1.936 2.120 0.030 16 0 "[ . 1 . 2]" 1
1575 1 42 CYS HA 1 46 PRO HB3 3.926 . 5.853 3.157 2.729 3.799 . 0 0 "[ . 1 . 2]" 1
1576 1 70 ALA MB 1 71 PHE HA 3.743 . 5.494 3.347 3.221 3.478 . 0 0 "[ . 1 . 2]" 1
1577 1 32 VAL HA 1 37 ILE MD 3.909 . 5.819 4.027 3.901 4.112 . 0 0 "[ . 1 . 2]" 1
1578 1 57 LYS HB2 1 62 ALA MB 3.968 . 5.936 5.558 5.229 5.929 . 0 0 "[ . 1 . 2]" 1
1579 1 41 ILE MD 1 43 GLY H 4.661 . 7.376 4.531 4.401 4.706 . 0 0 "[ . 1 . 2]" 1
1580 1 35 ALA MB 1 38 ASP QB 4.366 . 6.749 3.653 3.344 3.911 . 0 0 "[ . 1 . 2]" 1
1581 1 96 GLU HA 1 96 GLU HG3 4.010 . 6.020 2.588 2.165 3.137 . 0 0 "[ . 1 . 2]" 1
1582 1 19 LYS HA 1 72 PHE QB 4.904 . 7.910 3.932 3.825 3.973 . 0 0 "[ . 1 . 2]" 1
1583 1 10 ILE MG 1 14 ASP H 5.101 . 8.354 3.770 3.600 3.960 . 0 0 "[ . 1 . 2]" 1
1584 1 9 LYS HE3 1 10 ILE MD 5.407 . 9.062 6.646 6.131 7.166 . 0 0 "[ . 1 . 2]" 1
1585 1 15 THR MG 1 68 ARG HD3 6.147 . 10.870 8.217 7.871 8.801 . 0 0 "[ . 1 . 2]" 1
1586 1 97 LYS HA 1 99 PRO HA 6.341 . 11.367 5.829 5.267 6.528 . 0 0 "[ . 1 . 2]" 1
1587 1 19 LYS H 1 85 ILE MG 4.583 . 7.209 3.763 3.637 3.896 . 0 0 "[ . 1 . 2]" 1
1588 1 14 ASP HB3 1 104 LEU QD 4.314 . 6.640 6.426 5.307 6.784 0.144 20 0 "[ . 1 . 2]" 1
1589 1 57 LYS QG 1 62 ALA MB 4.682 . 7.422 6.410 5.859 6.727 . 0 0 "[ . 1 . 2]" 1
1590 1 17 ARG QD 1 103 ALA MB 4.191 . 6.387 5.956 5.695 6.197 . 0 0 "[ . 1 . 2]" 1
1591 1 10 ILE MG 1 103 ALA MB 3.220 . 4.516 4.048 3.871 4.361 . 0 0 "[ . 1 . 2]" 1
1592 1 104 LEU HB3 1 104 LEU QD 2.761 . 3.714 1.931 1.869 2.029 . 0 0 "[ . 1 . 2]" 1
1593 1 90 PRO HB3 1 90 PRO HD3 2.675 . 3.569 2.843 2.642 3.013 . 0 0 "[ . 1 . 2]" 1
1594 1 54 GLN H 1 55 GLU HB3 3.650 . 5.315 4.268 4.102 4.578 . 0 0 "[ . 1 . 2]" 1
1595 1 51 GLU HB3 1 53 LEU H 3.869 . 5.741 4.371 4.285 4.479 . 0 0 "[ . 1 . 2]" 1
1596 1 27 GLN H 1 28 GLY HA2 5.936 . 10.340 4.059 4.031 4.095 . 0 0 "[ . 1 . 2]" 1
1597 1 57 LYS HB2 1 64 ASN HD22 4.234 . 6.475 5.272 3.613 6.070 . 0 0 "[ . 1 . 2]" 1
1598 1 96 GLU H 1 96 GLU HB2 3.379 . 4.807 2.806 2.152 3.473 . 0 0 "[ . 1 . 2]" 1
1599 1 101 ILE MD 1 102 ASP H 3.718 . 5.446 3.556 2.994 4.202 . 0 0 "[ . 1 . 2]" 1
1600 1 8 VAL QG 1 80 GLN H 4.242 . 6.491 4.264 4.022 4.508 . 0 0 "[ . 1 . 2]" 1
1601 1 67 ASP H 1 69 SER H 3.482 . 4.997 4.285 4.156 4.455 . 0 0 "[ . 1 . 2]" 1
1602 1 23 LEU H 1 23 LEU MD1 3.863 . 5.729 2.723 2.609 2.832 . 0 0 "[ . 1 . 2]" 1
1603 1 22 PHE HE1 1 66 TYR H 3.505 . 5.041 3.833 3.735 3.933 . 0 0 "[ . 1 . 2]" 1
1604 1 85 ILE H 1 85 ILE MD 3.676 . 5.365 3.410 3.361 3.428 . 0 0 "[ . 1 . 2]" 1
1605 1 13 GLU QB 1 92 ALA H 3.773 . 5.552 4.836 3.805 5.183 . 0 0 "[ . 1 . 2]" 1
1606 1 13 GLU QB 1 16 GLN HE22 3.582 . 5.186 3.157 1.796 3.976 0.182 9 0 "[ . 1 . 2]" 1
1607 1 19 LYS H 1 85 ILE MD 3.321 . 4.700 3.497 3.430 3.710 . 0 0 "[ . 1 . 2]" 1
1608 1 37 ILE MG 1 41 ILE H 3.410 . 4.864 3.308 3.221 3.500 . 0 0 "[ . 1 . 2]" 1
1609 1 43 GLY H 1 45 PHE HD1 3.453 . 4.943 4.735 4.373 4.912 . 0 0 "[ . 1 . 2]" 1
1610 1 44 ALA MB 1 81 TYR H 3.364 . 4.778 3.210 3.034 3.901 . 0 0 "[ . 1 . 2]" 1
1611 1 19 LYS H 1 72 PHE HD1 3.522 . 5.072 4.477 4.226 4.621 . 0 0 "[ . 1 . 2]" 1
1612 1 13 GLU QB 1 91 CYS H 2.693 . 3.599 3.496 2.562 3.705 0.106 20 0 "[ . 1 . 2]" 1
1613 1 96 GLU HA 1 97 LYS H 3.003 . 4.131 2.881 2.202 3.167 . 0 0 "[ . 1 . 2]" 1
1614 1 69 SER H 1 69 SER HA 2.392 . 3.107 2.523 2.496 2.537 . 0 0 "[ . 1 . 2]" 1
1615 1 95 GLU HA 1 96 GLU H 2.345 . 3.032 2.493 2.083 2.816 . 0 0 "[ . 1 . 2]" 1
1616 1 29 GLN HA 1 29 GLN HE21 3.205 . 4.489 4.105 4.013 4.268 . 0 0 "[ . 1 . 2]" 1
1617 1 9 LYS H 1 9 LYS HA 2.476 . 3.242 2.497 2.082 2.787 . 0 0 "[ . 1 . 2]" 1
1618 1 83 ARG H 1 84 PHE HA 4.278 . 6.566 4.776 4.249 5.145 . 0 0 "[ . 1 . 2]" 1
1619 1 9 LYS HA 1 10 ILE H 3.516 . 5.061 2.504 2.367 2.633 . 0 0 "[ . 1 . 2]" 1
1620 1 16 GLN H 1 17 ARG HA 4.339 . 6.693 4.570 4.175 5.154 . 0 0 "[ . 1 . 2]" 1
1621 1 9 LYS HA 1 10 ILE H 2.412 . 3.139 2.308 2.072 2.454 . 0 0 "[ . 1 . 2]" 1
1622 1 94 GLU HA 1 95 GLU H 2.641 . 3.513 2.171 1.903 2.610 . 0 0 "[ . 1 . 2]" 1
1623 1 27 GLN QE 1 65 GLY QA 3.724 . 5.457 3.759 3.203 4.190 . 0 0 "[ . 1 . 2]" 1
1624 1 28 GLY HA2 1 29 GLN HE21 4.789 . 7.656 5.877 5.788 5.994 . 0 0 "[ . 1 . 2]" 1
1625 1 105 GLU H 1 105 GLU HA 2.385 . 3.096 2.402 2.025 2.622 . 0 0 "[ . 1 . 2]" 1
1626 1 70 ALA H 1 70 ALA HA 2.596 . 3.438 2.470 2.170 2.567 . 0 0 "[ . 1 . 2]" 1
1627 1 94 GLU HA 1 95 GLU H 3.232 . 4.538 2.083 1.864 2.437 0.062 4 0 "[ . 1 . 2]" 1
1628 1 16 GLN HE21 1 101 ILE HA 4.144 . 6.290 5.180 4.049 5.662 . 0 0 "[ . 1 . 2]" 1
1629 1 35 ALA HA 1 38 ASP H 2.451 . 3.202 3.005 2.453 3.182 . 0 0 "[ . 1 . 2]" 1
1630 1 35 ALA HA 1 36 MET H 3.606 . 5.232 3.094 3.048 3.120 . 0 0 "[ . 1 . 2]" 1
1631 1 11 SER HB2 1 12 HIS H 3.186 . 4.455 2.608 2.049 2.745 . 0 0 "[ . 1 . 2]" 1
1632 1 16 GLN H 1 16 GLN HA 3.081 . 4.268 2.516 2.367 2.757 . 0 0 "[ . 1 . 2]" 1
1633 1 16 GLN H 1 16 GLN HA 3.571 . 5.165 2.420 2.082 2.691 . 0 0 "[ . 1 . 2]" 1
1634 1 19 LYS HA 1 72 PHE HE1 4.177 . 6.357 5.797 5.360 6.152 . 0 0 "[ . 1 . 2]" 1
1635 1 8 VAL HA 1 9 LYS H 4.046 . 6.093 3.038 2.876 3.261 . 0 0 "[ . 1 . 2]" 1
1636 1 71 PHE H 1 71 PHE HA 3.688 . 5.388 2.500 2.487 2.516 . 0 0 "[ . 1 . 2]" 1
1637 1 27 GLN HA 1 28 GLY H 4.417 . 6.856 3.115 3.105 3.124 . 0 0 "[ . 1 . 2]" 1
1638 1 39 GLN HE21 1 40 LEU HA 2.457 . 3.212 2.506 1.699 2.768 0.003 6 0 "[ . 1 . 2]" 1
1639 1 71 PHE HA 1 71 PHE HD1 3.238 . 4.549 2.726 2.577 2.920 . 0 0 "[ . 1 . 2]" 1
1640 1 39 GLN H 1 39 GLN HA 3.011 . 4.144 2.616 2.557 2.660 . 0 0 "[ . 1 . 2]" 1
1641 1 40 LEU HA 1 81 TYR HE1 3.401 . 4.847 4.962 4.895 5.147 0.300 15 0 "[ . 1 . 2]" 1
1642 1 9 LYS H 1 79 GLU HA 3.023 . 4.165 3.246 3.007 3.457 . 0 0 "[ . 1 . 2]" 1
1643 1 52 GLN H 1 52 GLN HA 2.429 . 3.167 2.537 2.520 2.546 . 0 0 "[ . 1 . 2]" 1
1644 1 85 ILE H 1 85 ILE HA 2.629 . 3.493 2.550 2.516 2.589 . 0 0 "[ . 1 . 2]" 1
1645 1 85 ILE HA 1 87 GLN H 2.927 . 3.998 3.799 3.687 3.889 . 0 0 "[ . 1 . 2]" 1
1646 1 80 GLN HA 1 80 GLN QE 4.062 . 6.124 3.730 3.443 4.060 . 0 0 "[ . 1 . 2]" 1
1647 1 52 GLN HA 1 52 GLN QE 2.973 . 4.078 2.345 1.694 2.752 0.174 17 0 "[ . 1 . 2]" 1
1648 1 26 ALA HA 1 27 GLN QE 3.928 . 5.857 5.235 4.960 5.581 . 0 0 "[ . 1 . 2]" 1
1649 1 26 ALA HA 1 27 GLN H 3.202 . 4.483 3.392 3.314 3.471 . 0 0 "[ . 1 . 2]" 1
1650 1 20 THR HA 1 21 ALA H 5.858 . 10.148 3.236 2.422 3.507 . 0 0 "[ . 1 . 2]" 1
1651 1 24 SER QB 1 25 TYR H 3.824 . 5.652 3.060 2.775 3.516 . 0 0 "[ . 1 . 2]" 1
1652 1 72 PHE HA 1 72 PHE HE1 5.007 . 8.141 4.436 4.324 4.530 . 0 0 "[ . 1 . 2]" 1
1653 1 23 LEU HA 1 27 GLN H 3.673 . 5.360 3.427 3.144 3.499 . 0 0 "[ . 1 . 2]" 1
1654 1 10 ILE H 1 17 ARG QD 5.151 . 8.467 6.064 5.251 6.861 . 0 0 "[ . 1 . 2]" 1
1655 1 17 ARG H 1 17 ARG QD 4.221 . 6.449 2.594 2.240 2.697 . 0 0 "[ . 1 . 2]" 1
1656 1 37 ILE HA 1 39 GLN H 3.852 . 5.706 3.303 2.774 3.552 . 0 0 "[ . 1 . 2]" 1
1657 1 18 ILE HA 1 71 PHE HZ 14.606 . 41.272 4.416 4.118 4.613 . 0 0 "[ . 1 . 2]" 1
1658 1 72 PHE QB 1 72 PHE HD1 4.045 . 6.091 2.235 2.118 2.421 . 0 0 "[ . 1 . 2]" 1
1659 1 43 GLY HA3 1 44 ALA H 3.083 . 4.271 2.356 2.215 2.500 . 0 0 "[ . 1 . 2]" 1
1660 1 17 ARG H 1 91 CYS QB 3.428 . 4.897 2.891 2.508 3.063 . 0 0 "[ . 1 . 2]" 1
1661 1 38 ASP QB 1 39 GLN H 2.965 . 4.064 2.558 2.431 2.709 . 0 0 "[ . 1 . 2]" 1
1662 1 66 TYR HB3 1 71 PHE HD1 3.791 . 5.588 2.986 2.741 3.119 . 0 0 "[ . 1 . 2]" 1
1663 1 16 GLN HE22 1 91 CYS QB 3.481 . 4.995 3.195 2.763 3.486 . 0 0 "[ . 1 . 2]" 1
1664 1 22 PHE HA 1 25 TYR H 3.298 . 4.658 2.693 2.483 3.020 . 0 0 "[ . 1 . 2]" 1
1665 1 22 PHE HA 1 39 GLN HE22 4.172 . 6.348 5.547 5.151 5.946 . 0 0 "[ . 1 . 2]" 1
1666 1 39 GLN HB3 1 84 PHE HD1 3.582 . 5.185 4.445 3.463 5.190 0.005 1 0 "[ . 1 . 2]" 1
1667 1 27 GLN H 1 27 GLN QG 3.148 . 4.387 2.440 2.124 2.787 . 0 0 "[ . 1 . 2]" 1
1668 1 38 ASP H 1 39 GLN HB3 4.144 . 6.291 3.946 3.659 4.183 . 0 0 "[ . 1 . 2]" 1
1669 1 53 LEU H 1 55 GLU QG 4.172 . 6.348 3.646 1.739 4.037 0.257 3 0 "[ . 1 . 2]" 1
1670 1 18 ILE HG13 1 19 LYS H 3.542 . 5.110 4.081 4.010 4.154 . 0 0 "[ . 1 . 2]" 1
1671 1 85 ILE HB 1 87 GLN H 3.532 . 5.091 4.189 3.883 4.333 . 0 0 "[ . 1 . 2]" 1
1672 1 33 THR H 1 36 MET ME 3.941 . 5.882 4.976 3.938 5.162 . 0 0 "[ . 1 . 2]" 1
1673 1 36 MET ME 1 39 GLN HE21 3.714 . 5.438 3.529 2.701 4.154 . 0 0 "[ . 1 . 2]" 1
1674 1 36 MET ME 1 66 TYR HD1 3.893 . 5.787 5.531 4.697 5.838 0.051 5 0 "[ . 1 . 2]" 1
1675 1 36 MET ME 1 84 PHE HD1 3.401 . 4.847 4.244 3.805 4.577 . 0 0 "[ . 1 . 2]" 1
1676 1 95 GLU H 1 95 GLU QB 3.651 . 5.317 2.450 2.100 3.112 . 0 0 "[ . 1 . 2]" 1
1677 1 96 GLU H 1 96 GLU HB3 3.370 . 4.789 2.770 2.270 3.388 . 0 0 "[ . 1 . 2]" 1
1678 1 32 VAL HB 1 33 THR H 3.709 . 5.429 3.778 3.711 3.887 . 0 0 "[ . 1 . 2]" 1
1679 1 83 ARG H 1 83 ARG QB 3.460 . 4.956 2.164 1.909 2.501 0.055 13 0 "[ . 1 . 2]" 1
1680 1 94 GLU HB2 1 95 GLU H 3.467 . 4.970 2.407 1.889 3.109 0.075 17 0 "[ . 1 . 2]" 1
1681 1 18 ILE HB 1 72 PHE HE1 2.781 . 3.748 3.623 3.006 3.741 . 0 0 "[ . 1 . 2]" 1
1682 1 40 LEU H 1 40 LEU HB2 2.538 . 3.343 2.043 1.990 2.126 . 0 0 "[ . 1 . 2]" 1
1683 1 101 ILE HB 1 103 ALA H 3.031 . 4.180 3.107 2.383 3.715 . 0 0 "[ . 1 . 2]" 1
1684 1 37 ILE HB 1 66 TYR HD1 3.681 . 5.375 3.720 2.844 4.858 . 0 0 "[ . 1 . 2]" 1
1685 1 60 ARG H 1 70 ALA MB 4.237 . 6.481 3.980 3.461 4.337 . 0 0 "[ . 1 . 2]" 1
1686 1 19 LYS HD2 1 20 THR H 5.141 . 8.445 4.159 4.035 4.258 . 0 0 "[ . 1 . 2]" 1
1687 1 27 GLN QE 1 31 LYS QD 3.130 . 4.355 4.031 3.208 4.267 . 0 0 "[ . 1 . 2]" 1
1688 1 27 GLN QE 1 31 LYS HB2 2.495 . 3.273 2.214 1.865 2.598 . 0 0 "[ . 1 . 2]" 1
1689 1 57 LYS HB2 1 60 ARG H 3.793 . 5.591 3.959 1.961 4.454 0.034 18 0 "[ . 1 . 2]" 1
1690 1 10 ILE H 1 10 ILE HG12 3.568 . 5.159 3.406 3.006 3.741 . 0 0 "[ . 1 . 2]" 1
1691 1 101 ILE HG13 1 102 ASP H 3.807 . 5.619 2.981 1.542 4.394 0.453 9 0 "[ . 1 . 2]" 1
1692 1 35 ALA H 1 35 ALA MB 2.335 . 3.016 1.954 1.760 2.197 . 0 0 "[ . 1 . 2]" 1
1693 1 19 LYS H 1 19 LYS QG 2.523 . 3.319 1.949 1.715 2.487 0.012 4 0 "[ . 1 . 2]" 1
1694 1 61 ALA H 1 61 ALA MB 2.767 . 3.724 2.020 1.784 2.318 0.026 8 0 "[ . 1 . 2]" 1
1695 1 16 GLN HE22 1 92 ALA MB 4.239 . 6.486 3.709 3.071 4.134 . 0 0 "[ . 1 . 2]" 1
1696 1 19 LYS H 1 20 THR MG 4.829 . 7.743 3.121 2.742 3.394 . 0 0 "[ . 1 . 2]" 1
1697 1 40 LEU H 1 40 LEU HG 4.944 . 7.999 3.620 3.277 3.836 . 0 0 "[ . 1 . 2]" 1
1698 1 20 THR MG 1 25 TYR HE1 5.260 . 8.719 2.180 1.605 3.481 0.196 9 0 "[ . 1 . 2]" 1
1699 1 15 THR MG 1 72 PHE HD1 4.271 . 6.551 2.130 1.605 3.269 0.386 9 0 "[ . 1 . 2]" 1
1700 1 14 ASP H 1 15 THR MG 3.806 . 5.617 4.881 4.817 5.002 . 0 0 "[ . 1 . 2]" 1
1701 1 40 LEU H 1 41 ILE HG12 3.874 . 5.750 3.706 3.106 3.805 . 0 0 "[ . 1 . 2]" 1
1702 1 101 ILE H 1 101 ILE HG12 2.932 . 4.007 2.490 1.854 3.855 0.003 18 0 "[ . 1 . 2]" 1
1703 1 62 ALA H 1 62 ALA MB 2.935 . 4.012 2.231 1.979 2.553 . 0 0 "[ . 1 . 2]" 1
1704 1 21 ALA MB 1 89 PHE HE1 3.497 . 5.026 4.035 3.752 4.313 . 0 0 "[ . 1 . 2]" 1
1705 1 10 ILE H 1 10 ILE MG 3.995 . 5.990 3.282 3.095 3.467 . 0 0 "[ . 1 . 2]" 1
1706 1 32 VAL MG1 1 36 MET H 3.002 . 4.129 2.742 2.442 3.063 . 0 0 "[ . 1 . 2]" 1
1707 1 85 ILE MG 1 89 PHE H 4.027 . 6.054 3.152 2.645 3.555 . 0 0 "[ . 1 . 2]" 1
1708 1 78 ASP H 1 82 VAL QG 3.888 . 5.777 3.007 2.885 3.544 . 0 0 "[ . 1 . 2]" 1
1709 1 37 ILE H 1 37 ILE HG12 3.084 . 4.273 2.539 2.151 3.106 . 0 0 "[ . 1 . 2]" 1
1710 1 48 LEU H 1 48 LEU QD 3.350 . 4.753 2.938 2.058 3.139 . 0 0 "[ . 1 . 2]" 1
1711 1 74 LEU H 1 74 LEU QD 4.054 . 6.108 3.514 3.439 3.550 . 0 0 "[ . 1 . 2]" 1
1712 1 17 ARG H 1 18 ILE MD 4.011 . 6.022 3.281 3.172 3.313 . 0 0 "[ . 1 . 2]" 1
1713 1 18 ILE H 1 18 ILE MG 4.033 . 6.066 3.258 3.193 3.320 . 0 0 "[ . 1 . 2]" 1
1714 1 26 ALA MB 1 31 LYS H 3.346 . 4.746 4.907 4.790 5.038 0.292 2 0 "[ . 1 . 2]" 1
1715 1 26 ALA MB 1 27 GLN QE 3.301 . 4.663 3.193 3.015 3.377 . 0 0 "[ . 1 . 2]" 1
1716 1 37 ILE HB 1 38 ASP QB 51.578 . 384.120 4.289 4.099 4.534 . 0 0 "[ . 1 . 2]" 1
1717 1 31 LYS QD 1 66 TYR H 4.300 . 6.611 4.294 3.775 4.814 . 0 0 "[ . 1 . 2]" 1
1718 1 21 ALA H 1 85 ILE MG 3.325 . 4.707 2.902 2.854 2.977 . 0 0 "[ . 1 . 2]" 1
1719 1 40 LEU HB2 1 41 ILE H 3.151 . 4.392 2.979 1.831 3.574 0.079 18 0 "[ . 1 . 2]" 1
1720 1 40 LEU MD1 1 41 ILE H 4.776 . 7.627 4.075 3.904 4.232 . 0 0 "[ . 1 . 2]" 1
1721 1 9 LYS H 1 79 GLU QB 4.359 . 6.734 2.317 2.031 2.723 . 0 0 "[ . 1 . 2]" 1
1722 1 82 VAL HB 1 83 ARG H 2.955 . 4.046 2.822 2.009 3.286 . 0 0 "[ . 1 . 2]" 1
1723 1 25 TYR HB3 1 26 ALA H 2.866 . 3.893 2.005 1.929 2.042 . 0 0 "[ . 1 . 2]" 1
1724 1 8 VAL HB 1 10 ILE H 3.553 . 5.131 2.731 2.193 3.318 . 0 0 "[ . 1 . 2]" 1
1725 1 14 ASP H 1 14 ASP HB2 1.936 . 2.404 2.220 2.067 2.308 . 0 0 "[ . 1 . 2]" 1
1726 1 35 ALA MB 1 37 ILE H 3.589 . 5.200 3.111 2.736 3.356 . 0 0 "[ . 1 . 2]" 1
1727 1 40 LEU MD1 1 84 PHE H 4.406 . 6.833 4.209 3.354 4.587 . 0 0 "[ . 1 . 2]" 1
1728 1 48 LEU H 1 48 LEU QD 4.779 . 7.633 2.941 2.057 3.104 . 0 0 "[ . 1 . 2]" 1
1729 1 51 GLU HG2 1 52 GLN H 5.101 . 8.353 3.432 2.137 3.946 . 0 0 "[ . 1 . 2]" 1
1730 1 10 ILE MD 1 77 SER H 4.456 . 6.938 4.082 3.955 4.171 . 0 0 "[ . 1 . 2]" 1
1731 1 23 LEU H 1 23 LEU QD 3.695 . 5.402 2.902 2.848 2.980 . 0 0 "[ . 1 . 2]" 1
1732 1 27 GLN H 1 32 VAL HB 3.846 . 5.695 5.394 5.202 5.532 . 0 0 "[ . 1 . 2]" 1
1733 1 36 MET H 1 36 MET QB 2.913 . 3.974 2.103 1.910 2.222 . 0 0 "[ . 1 . 2]" 1
1734 1 17 ARG QB 1 89 PHE HD1 3.769 . 5.544 4.264 3.490 4.625 . 0 0 "[ . 1 . 2]" 1
1735 1 10 ILE HG12 1 72 PHE HE1 4.338 . 6.690 4.089 3.650 4.254 . 0 0 "[ . 1 . 2]" 1
1736 1 10 ILE MD 1 72 PHE HD1 3.955 . 5.910 4.318 3.869 4.809 . 0 0 "[ . 1 . 2]" 1
1737 1 36 MET ME 1 71 PHE HE1 3.493 . 5.018 3.674 2.664 3.989 . 0 0 "[ . 1 . 2]" 1
1738 1 10 ILE MD 1 82 VAL H 4.330 . 6.674 4.298 4.110 4.505 . 0 0 "[ . 1 . 2]" 1
1739 1 37 ILE MG 1 66 TYR HD1 4.029 . 6.058 2.351 2.149 2.834 . 0 0 "[ . 1 . 2]" 1
1740 1 39 GLN HE22 1 81 TYR HB3 3.874 . 5.750 5.113 4.690 5.317 . 0 0 "[ . 1 . 2]" 1
1741 1 32 VAL MG1 1 66 TYR HD1 4.289 . 6.589 4.191 4.089 4.360 . 0 0 "[ . 1 . 2]" 1
1742 1 41 ILE HG13 1 45 PHE HE1 4.304 . 6.619 4.252 2.472 4.675 . 0 0 "[ . 1 . 2]" 1
1743 1 31 LYS HA 1 32 VAL HB 4.495 . 7.020 3.837 3.716 3.935 . 0 0 "[ . 1 . 2]" 1
1744 1 71 PHE H 1 71 PHE HD1 3.888 . 5.777 4.244 4.146 4.442 . 0 0 "[ . 1 . 2]" 1
1745 1 66 TYR H 1 66 TYR HD1 3.130 . 4.354 4.217 4.118 4.303 . 0 0 "[ . 1 . 2]" 1
1746 1 21 ALA H 1 89 PHE HD1 4.470 . 6.968 3.501 3.415 3.597 . 0 0 "[ . 1 . 2]" 1
1747 1 22 PHE H 1 25 TYR HD1 3.682 . 5.376 4.103 3.945 4.329 . 0 0 "[ . 1 . 2]" 1
1748 1 21 ALA H 1 89 PHE HD1 4.011 . 6.022 3.383 3.298 3.501 . 0 0 "[ . 1 . 2]" 1
1749 1 10 ILE H 1 12 HIS H 3.896 . 5.793 6.015 5.864 6.414 0.621 7 1 "[ . + 1 . 2]" 1
1750 1 96 GLU H 1 97 LYS H 1.892 . 2.340 1.964 1.579 2.361 0.021 19 0 "[ . 1 . 2]" 1
1751 1 26 ALA H 1 33 THR H 3.456 . 4.949 4.292 4.202 4.405 . 0 0 "[ . 1 . 2]" 1
1752 1 13 GLU H 1 15 THR H 3.718 . 5.446 3.975 3.829 4.047 . 0 0 "[ . 1 . 2]" 1
1753 1 18 ILE H 1 21 ALA H 2.991 . 4.109 4.139 4.110 4.156 0.047 20 0 "[ . 1 . 2]" 1
1754 1 34 GLU HA 1 53 LEU MD2 4.291 . 6.592 3.650 3.432 3.811 . 0 0 "[ . 1 . 2]" 1
1755 1 22 PHE HE1 1 66 TYR HD1 2.633 . 3.500 3.387 3.281 3.551 0.051 4 0 "[ . 1 . 2]" 1
1756 1 22 PHE HE1 1 71 PHE HD1 2.338 . 3.021 2.528 2.323 2.712 . 0 0 "[ . 1 . 2]" 1
1757 1 39 GLN HE22 1 71 PHE HZ 2.161 . 2.745 2.575 2.364 2.822 0.077 18 0 "[ . 1 . 2]" 1
1758 1 72 PHE HD1 1 77 SER H 4.346 . 6.707 6.057 5.940 6.163 . 0 0 "[ . 1 . 2]" 1
1759 1 16 GLN H 1 16 GLN HE22 4.422 . 6.866 4.661 4.535 4.824 . 0 0 "[ . 1 . 2]" 1
1760 1 16 GLN H 1 17 ARG H 2.611 . 3.463 2.381 2.289 2.490 . 0 0 "[ . 1 . 2]" 1
1761 1 19 LYS H 1 20 THR H 2.444 . 3.191 2.382 2.333 2.451 . 0 0 "[ . 1 . 2]" 1
1762 1 28 GLY HA3 1 29 GLN HA 3.011 . 4.144 3.997 3.947 4.044 . 0 0 "[ . 1 . 2]" 1
1763 1 30 ASP HA 1 67 ASP QB 4.165 . 6.334 5.503 5.049 6.186 . 0 0 "[ . 1 . 2]" 1
1764 1 11 SER HA 1 14 ASP HB3 6.646 . 12.167 5.434 5.095 5.646 . 0 0 "[ . 1 . 2]" 1
1765 1 11 SER HA 1 12 HIS HB3 7.221 . 13.739 4.392 4.013 4.609 . 0 0 "[ . 1 . 2]" 1
1766 1 29 GLN HA 1 29 GLN HB3 4.656 . 7.366 2.076 2.026 2.110 . 0 0 "[ . 1 . 2]" 1
1767 1 36 MET HA 1 39 GLN QG 3.830 . 5.663 3.202 2.725 3.552 . 0 0 "[ . 1 . 2]" 1
1768 1 21 ALA MB 1 90 PRO HA 3.837 . 5.677 5.289 5.022 5.564 . 0 0 "[ . 1 . 2]" 1
1769 1 29 GLN HA 1 29 GLN HB3 3.883 . 5.768 2.175 1.956 2.316 0.042 13 0 "[ . 1 . 2]" 1
1770 1 45 PHE HB2 1 46 PRO HA 2.971 . 4.075 3.935 3.774 4.011 . 0 0 "[ . 1 . 2]" 1
1771 1 7 MET HA 1 7 MET HG3 4.206 . 6.417 2.525 2.245 2.915 . 0 0 "[ . 1 . 2]" 1
1772 1 36 MET HA 1 39 GLN HB3 3.019 . 4.158 2.131 1.943 2.237 . 0 0 "[ . 1 . 2]" 1
1773 1 14 ASP HA 1 17 ARG QB 4.319 . 6.651 2.363 2.005 3.528 . 0 0 "[ . 1 . 2]" 1
1774 1 9 LYS HA 1 79 GLU QB 3.890 . 5.781 3.628 3.447 3.805 . 0 0 "[ . 1 . 2]" 1
1775 1 9 LYS HA 1 9 LYS HE3 4.396 . 6.812 3.450 2.308 3.776 . 0 0 "[ . 1 . 2]" 1
1776 1 95 GLU HA 1 95 GLU QB 3.946 . 5.892 2.181 2.048 2.319 . 0 0 "[ . 1 . 2]" 1
1777 1 48 LEU HA 1 48 LEU HB3 3.277 . 4.619 2.304 2.183 2.398 . 0 0 "[ . 1 . 2]" 1
1778 1 96 GLU HA 1 96 GLU HG3 3.639 . 5.294 2.469 2.173 2.821 . 0 0 "[ . 1 . 2]" 1
1779 1 94 GLU HA 1 94 GLU HB3 2.948 . 4.034 2.216 2.026 2.518 . 0 0 "[ . 1 . 2]" 1
1780 1 60 ARG HB3 1 70 ALA HA 3.571 . 5.165 3.916 3.420 4.996 . 0 0 "[ . 1 . 2]" 1
1781 1 17 ARG HA 1 20 THR MG 4.135 . 6.272 1.858 1.745 1.929 0.253 11 0 "[ . 1 . 2]" 1
1782 1 95 GLU HA 1 95 GLU QB 3.070 . 4.248 2.056 1.951 2.234 . 0 0 "[ . 1 . 2]" 1
1783 1 38 ASP HA 1 41 ILE MG 4.168 . 6.340 3.088 3.008 3.180 . 0 0 "[ . 1 . 2]" 1
1784 1 37 ILE MG 1 38 ASP HA 3.467 . 4.969 2.947 2.844 3.077 . 0 0 "[ . 1 . 2]" 1
1785 1 42 CYS HA 1 46 PRO QD 4.654 . 7.362 4.181 3.898 4.739 . 0 0 "[ . 1 . 2]" 1
1786 1 23 LEU HA 1 24 SER HA 4.713 . 7.490 3.797 3.752 3.817 . 0 0 "[ . 1 . 2]" 1
1787 1 97 LYS HA 1 97 LYS HB3 3.400 . 4.845 2.385 2.187 2.695 . 0 0 "[ . 1 . 2]" 1
1788 1 42 CYS HA 1 48 LEU QD 3.861 . 5.725 3.733 3.066 4.333 . 0 0 "[ . 1 . 2]" 1
1789 1 24 SER HA 1 27 GLN HB2 4.567 . 7.174 4.162 3.882 4.338 . 0 0 "[ . 1 . 2]" 1
1790 1 11 SER HB2 1 14 ASP HB2 4.022 . 6.044 3.880 3.440 4.592 . 0 0 "[ . 1 . 2]" 1
1791 1 70 ALA MB 1 73 SER HB3 2.646 . 3.521 2.815 2.313 3.252 . 0 0 "[ . 1 . 2]" 1
1792 1 58 LYS HA 1 58 LYS QB 2.219 . 2.835 2.040 1.925 2.182 . 0 0 "[ . 1 . 2]" 1
1793 1 32 VAL HA 1 32 VAL MG1 3.999 . 5.998 2.476 2.412 2.569 . 0 0 "[ . 1 . 2]" 1
1794 1 8 VAL HA 1 8 VAL HB 2.267 . 2.909 2.213 2.141 2.411 . 0 0 "[ . 1 . 2]" 1
1795 1 40 LEU HA 1 40 LEU HB2 2.293 . 2.950 2.117 2.014 2.208 . 0 0 "[ . 1 . 2]" 1
1796 1 32 VAL HA 1 32 VAL MG1 3.224 . 4.523 1.817 1.650 2.446 0.275 17 0 "[ . 1 . 2]" 1
1797 1 37 ILE MD 1 71 PHE HA 4.112 . 6.225 3.664 3.546 3.768 . 0 0 "[ . 1 . 2]" 1
1798 1 27 GLN HA 1 27 GLN QG 2.695 . 3.603 2.557 2.432 2.675 . 0 0 "[ . 1 . 2]" 1
1799 1 27 GLN HA 1 27 GLN HB2 2.392 . 3.107 2.527 2.380 2.861 . 0 0 "[ . 1 . 2]" 1
1800 1 9 LYS QB 1 79 GLU HA 2.598 . 3.442 2.355 2.300 2.387 . 0 0 "[ . 1 . 2]" 1
1801 1 56 LYS HA 1 56 LYS QB 2.319 . 2.991 2.171 2.136 2.195 . 0 0 "[ . 1 . 2]" 1
1802 1 27 GLN HA 1 33 THR MG 3.189 . 4.461 3.604 3.423 3.753 . 0 0 "[ . 1 . 2]" 1
1803 1 8 VAL QG 1 76 ALA HA 2.640 . 3.511 2.568 2.175 2.774 . 0 0 "[ . 1 . 2]" 1
1804 1 52 GLN HA 1 55 GLU QG 2.279 . 2.928 2.040 1.900 2.149 . 0 0 "[ . 1 . 2]" 1
1805 1 79 GLU HA 1 82 VAL QG 2.948 . 4.035 1.815 1.651 2.433 0.210 17 0 "[ . 1 . 2]" 1
1806 1 13 GLU HA 1 16 GLN HB2 2.213 . 2.825 2.451 2.209 2.631 . 0 0 "[ . 1 . 2]" 1
1807 1 13 GLU HA 1 13 GLU QB 2.099 . 2.650 2.041 2.006 2.173 . 0 0 "[ . 1 . 2]" 1
1808 1 40 LEU HA 1 40 LEU HB2 2.039 . 2.559 2.023 1.825 2.161 . 0 0 "[ . 1 . 2]" 1
1809 1 75 VAL HB 1 76 ALA HA 4.192 . 6.389 3.754 3.624 3.858 . 0 0 "[ . 1 . 2]" 1
1810 1 14 ASP HB2 1 15 THR HA 3.152 . 4.394 3.467 3.090 4.507 0.113 8 0 "[ . 1 . 2]" 1
1811 1 14 ASP HB2 1 15 THR HA 3.550 . 5.125 3.837 3.706 4.144 . 0 0 "[ . 1 . 2]" 1
1812 1 20 THR HA 1 20 THR MG 4.421 . 6.864 3.155 3.135 3.168 . 0 0 "[ . 1 . 2]" 1
1813 1 93 PRO HB2 1 93 PRO HD2 3.221 . 4.518 3.541 3.499 3.615 . 0 0 "[ . 1 . 2]" 1
1814 1 48 LEU HB3 1 53 LEU HA 2.714 . 3.635 2.688 2.520 2.918 . 0 0 "[ . 1 . 2]" 1
1815 1 53 LEU HA 1 56 LYS QB 1.955 . 2.433 2.001 1.919 2.126 . 0 0 "[ . 1 . 2]" 1
1816 1 18 ILE MG 1 72 PHE HA 3.402 . 4.849 2.959 2.691 3.082 . 0 0 "[ . 1 . 2]" 1
1817 1 17 ARG QB 1 17 ARG QD 2.518 . 3.311 2.022 1.978 2.177 . 0 0 "[ . 1 . 2]" 1
1818 1 17 ARG QD 1 86 ALA MB 2.766 . 3.722 1.930 1.807 2.148 0.003 16 0 "[ . 1 . 2]" 1
1819 1 90 PRO HD3 1 90 PRO HG3 2.170 . 2.758 2.208 2.169 2.245 . 0 0 "[ . 1 . 2]" 1
1820 1 18 ILE HA 1 21 ALA MB 2.844 . 3.855 2.920 2.790 3.080 . 0 0 "[ . 1 . 2]" 1
1821 1 18 ILE HA 1 18 ILE HB 3.373 . 4.796 2.921 2.911 2.927 . 0 0 "[ . 1 . 2]" 1
1822 1 23 LEU HB3 1 28 GLY HA3 2.839 . 3.847 3.839 3.756 3.893 0.046 9 0 "[ . 1 . 2]" 1
1823 1 40 LEU HG 1 43 GLY HA3 3.605 . 5.229 3.861 3.680 4.036 . 0 0 "[ . 1 . 2]" 1
1824 1 40 LEU MD1 1 75 VAL HA 3.781 . 5.568 3.172 3.074 3.276 . 0 0 "[ . 1 . 2]" 1
1825 1 18 ILE MG 1 72 PHE QB 3.653 . 5.321 3.536 2.614 3.707 . 0 0 "[ . 1 . 2]" 1
1826 1 72 PHE QB 1 76 ALA MB 4.210 . 6.426 4.081 3.922 4.229 . 0 0 "[ . 1 . 2]" 1
1827 1 26 ALA MB 1 36 MET HG2 3.244 . 4.559 2.564 1.781 2.857 0.148 5 0 "[ . 1 . 2]" 1
1828 1 23 LEU MD1 1 68 ARG HD3 3.399 . 4.843 2.690 2.386 3.001 . 0 0 "[ . 1 . 2]" 1
1829 1 23 LEU QD 1 68 ARG HD3 3.216 . 4.509 3.045 2.183 3.666 . 0 0 "[ . 1 . 2]" 1
1830 1 23 LEU QD 1 68 ARG HD3 3.162 . 4.412 2.927 2.173 3.295 . 0 0 "[ . 1 . 2]" 1
1831 1 20 THR MG 1 21 ALA HA 3.842 . 5.687 2.880 2.595 3.054 . 0 0 "[ . 1 . 2]" 1
1832 1 22 PHE HA 1 37 ILE MD 3.891 . 5.784 3.527 2.732 3.719 . 0 0 "[ . 1 . 2]" 1
1833 1 38 ASP QB 1 53 LEU MD1 4.004 . 6.008 3.439 2.958 3.766 . 0 0 "[ . 1 . 2]" 1
1834 1 16 GLN HG3 1 104 LEU HG 3.278 . 4.621 4.452 2.986 5.227 0.606 19 1 "[ . 1 . +2]" 1
1835 1 17 ARG QB 1 86 ALA MB 2.742 . 3.682 2.821 2.579 3.254 . 0 0 "[ . 1 . 2]" 1
1836 1 9 LYS QB 1 9 LYS QG 2.139 . 2.711 1.889 1.816 1.912 . 0 0 "[ . 1 . 2]" 1
1837 1 97 LYS HB3 1 97 LYS HG3 2.079 . 2.619 2.497 2.166 2.690 0.071 17 0 "[ . 1 . 2]" 1
1838 1 41 ILE HB 1 53 LEU MD1 2.513 . 3.303 2.039 1.961 2.376 . 0 0 "[ . 1 . 2]" 1
1839 1 41 ILE HG13 1 57 LYS QD 2.343 . 3.029 2.748 2.239 2.953 . 0 0 "[ . 1 . 2]" 1
1840 1 9 LYS QB 1 83 ARG QB 3.047 . 4.208 3.599 3.023 3.991 . 0 0 "[ . 1 . 2]" 1
1841 1 16 GLN HG3 1 102 ASP HB2 4.444 . 6.912 3.398 2.190 3.916 . 0 0 "[ . 1 . 2]" 1
1842 1 16 GLN HG3 1 91 CYS QB 4.726 . 7.518 3.489 3.210 3.744 . 0 0 "[ . 1 . 2]" 1
1843 1 13 GLU QB 1 91 CYS QB 2.795 . 3.772 2.342 2.068 3.146 . 0 0 "[ . 1 . 2]" 1
1844 1 37 ILE HB 1 38 ASP QB 3.740 . 5.489 3.856 3.760 4.028 . 0 0 "[ . 1 . 2]" 1
1845 1 66 TYR HB3 1 70 ALA MB 3.475 . 4.984 3.669 3.400 3.939 . 0 0 "[ . 1 . 2]" 1
1846 1 31 LYS QD 1 66 TYR HB2 3.957 . 5.914 4.324 4.156 4.434 . 0 0 "[ . 1 . 2]" 1
1847 1 53 LEU HA 1 57 LYS QG 4.146 . 6.295 3.524 3.190 3.864 . 0 0 "[ . 1 . 2]" 1
1848 1 20 THR MG 1 89 PHE HB3 3.366 . 4.782 2.632 2.297 2.830 . 0 0 "[ . 1 . 2]" 1
1849 1 40 LEU HB3 1 43 GLY HA3 3.522 . 5.073 5.020 4.749 5.199 0.126 16 0 "[ . 1 . 2]" 1
1850 1 10 ILE MG 1 14 ASP HB3 3.418 . 4.879 2.935 2.541 3.099 . 0 0 "[ . 1 . 2]" 1
1851 1 21 ALA HA 1 85 ILE MG 9.193 . 19.758 3.314 3.225 3.536 . 0 0 "[ . 1 . 2]" 1
1852 1 12 HIS HB2 1 91 CYS QB 3.631 . 5.279 5.257 5.063 5.666 0.387 11 0 "[ . 1 . 2]" 1
1853 1 22 PHE HA 1 71 PHE QB 5.016 . 8.161 4.057 3.069 4.544 . 0 0 "[ . 1 . 2]" 1
1854 1 22 PHE HA 1 23 LEU HA 3.988 . 5.976 4.208 4.092 4.309 . 0 0 "[ . 1 . 2]" 1
1855 1 56 LYS QB 1 57 LYS QD 3.044 . 4.202 2.889 2.456 3.339 . 0 0 "[ . 1 . 2]" 1
1856 1 29 GLN HB2 1 31 LYS QG 3.633 . 5.282 3.825 3.677 3.969 . 0 0 "[ . 1 . 2]" 1
1857 1 56 LYS QB 1 57 LYS QG 3.458 . 4.953 1.914 1.818 2.047 0.145 13 0 "[ . 1 . 2]" 1
1858 1 27 GLN HB2 1 33 THR MG 4.179 . 6.363 4.331 3.881 4.748 . 0 0 "[ . 1 . 2]" 1
1859 1 53 LEU HG 1 56 LYS QB 4.041 . 6.083 1.904 1.811 2.040 0.188 13 0 "[ . 1 . 2]" 1
1860 1 21 ALA MB 1 36 MET ME 4.080 . 6.160 2.980 2.854 3.186 . 0 0 "[ . 1 . 2]" 1
1861 1 10 ILE HB 1 10 ILE MG 1.787 . 2.186 1.768 1.762 1.772 . 0 0 "[ . 1 . 2]" 1
1862 1 17 ARG QB 1 85 ILE MG 2.579 . 3.411 2.074 1.883 2.214 . 0 0 "[ . 1 . 2]" 1
1863 1 14 ASP HB2 1 82 VAL QG 3.334 . 4.723 3.292 2.847 3.498 . 0 0 "[ . 1 . 2]" 1
1864 1 41 ILE MD 1 56 LYS QB 2.558 . 3.376 2.702 2.363 3.122 . 0 0 "[ . 1 . 2]" 1
1865 1 48 LEU HB2 1 48 LEU QD 2.820 . 3.814 2.253 2.040 2.316 . 0 0 "[ . 1 . 2]" 1
1866 1 18 ILE HG13 1 75 VAL MG1 3.411 . 4.865 3.335 3.228 3.541 . 0 0 "[ . 1 . 2]" 1
1867 1 25 TYR HB3 1 36 MET ME 2.528 . 3.327 2.402 2.201 2.666 . 0 0 "[ . 1 . 2]" 1
1868 1 7 MET HB3 1 7 MET HG3 2.264 . 2.905 2.431 2.142 2.679 . 0 0 "[ . 1 . 2]" 1
1869 1 32 VAL MG1 1 36 MET QB 1.561 . 1.866 1.650 1.615 1.702 . 0 0 "[ . 1 . 2]" 1
1870 1 31 LYS HB2 1 31 LYS QG 1.962 . 2.443 1.830 1.726 2.054 . 0 0 "[ . 1 . 2]" 1
1871 1 41 ILE HG13 1 53 LEU HG 2.716 . 3.638 2.679 2.301 3.225 . 0 0 "[ . 1 . 2]" 1
1872 1 41 ILE HB 1 53 LEU MD1 2.053 . 2.580 1.842 1.813 1.876 . 0 0 "[ . 1 . 2]" 1
1873 1 37 ILE HB 1 37 ILE MG 2.156 . 2.737 1.889 1.887 1.893 . 0 0 "[ . 1 . 2]" 1
1874 1 53 LEU MD2 1 57 LYS QD 1.803 . 2.209 1.772 1.682 1.852 . 0 0 "[ . 1 . 2]" 1
1875 1 23 LEU HB2 1 23 LEU MD1 2.001 . 2.501 1.918 1.910 1.926 . 0 0 "[ . 1 . 2]" 1
1876 1 106 LEU QD 1 106 LEU HG 2.095 . 2.644 1.893 1.889 1.898 . 0 0 "[ . 1 . 2]" 1
1877 1 10 ILE HG12 1 75 VAL MG1 3.137 . 4.367 3.439 3.366 3.539 . 0 0 "[ . 1 . 2]" 1
1878 1 18 ILE HG12 1 75 VAL MG2 2.806 . 3.791 3.310 3.139 3.774 . 0 0 "[ . 1 . 2]" 1
1879 1 15 THR MG 1 18 ILE MD 2.437 . 3.179 2.605 2.482 2.840 . 0 0 "[ . 1 . 2]" 1
1880 1 37 ILE MG 1 53 LEU HG 2.477 . 3.244 3.027 2.491 3.254 0.010 15 0 "[ . 1 . 2]" 1
1881 1 37 ILE MG 1 53 LEU MD1 2.311 . 2.979 2.527 2.105 2.766 . 0 0 "[ . 1 . 2]" 1
1882 1 15 THR MG 1 18 ILE MD 2.462 . 3.220 2.523 2.223 2.810 . 0 0 "[ . 1 . 2]" 1
1883 1 40 LEU MD1 1 85 ILE HG13 3.189 . 4.460 2.817 2.476 3.213 . 0 0 "[ . 1 . 2]" 1
1884 1 41 ILE MD 1 41 ILE HG12 2.080 . 2.621 1.918 1.904 1.933 . 0 0 "[ . 1 . 2]" 1
1885 1 18 ILE MD 1 18 ILE HG12 1.565 . 1.871 1.766 1.764 1.767 . 0 0 "[ . 1 . 2]" 1
1886 1 20 THR MG 1 91 CYS HA 4.719 . 7.503 2.979 2.576 3.309 . 0 0 "[ . 1 . 2]" 1
1887 1 29 GLN HA 1 29 GLN HB2 4.992 . 8.107 2.590 2.291 2.697 . 0 0 "[ . 1 . 2]" 1
1888 1 9 LYS HD3 1 9 LYS QG 2.085 . 2.628 2.031 1.933 2.158 . 0 0 "[ . 1 . 2]" 1
1889 1 23 LEU HA 1 25 TYR HB2 3.930 . 5.861 3.924 3.722 4.143 . 0 0 "[ . 1 . 2]" 1
1890 1 23 LEU HA 1 25 TYR HB2 5.308 . 8.830 4.340 4.117 4.471 . 0 0 "[ . 1 . 2]" 1
1891 1 17 ARG HA 1 91 CYS HA 4.000 . 6.000 2.523 2.132 3.529 . 0 0 "[ . 1 . 2]" 1
1892 1 17 ARG QD 1 82 VAL HA 3.865 . 5.732 4.997 4.780 5.331 . 0 0 "[ . 1 . 2]" 1
1893 1 40 LEU HB3 1 40 LEU HG 2.623 . 3.483 2.542 2.500 2.581 . 0 0 "[ . 1 . 2]" 1
1894 1 22 PHE HZ 1 23 LEU MD2 2.917 . 3.980 2.905 2.758 3.023 . 0 0 "[ . 1 . 2]" 1
1895 1 50 TRP HA 1 54 GLN H 2.901 . 3.953 3.343 2.971 3.560 . 0 0 "[ . 1 . 2]" 1
1896 1 101 ILE MD 1 101 ILE HG13 2.038 . 2.557 1.870 1.591 2.007 . 0 0 "[ . 1 . 2]" 1
1897 1 94 GLU HB2 1 94 GLU HG3 2.300 . 2.961 2.000 1.949 2.093 . 0 0 "[ . 1 . 2]" 1
1898 1 10 ILE HG13 1 18 ILE MD 3.318 . 4.694 2.801 1.937 3.240 0.005 6 0 "[ . 1 . 2]" 1
1899 1 94 GLU HA 1 95 GLU H 2.718 . 3.641 2.173 1.957 2.602 . 0 0 "[ . 1 . 2]" 1
1900 1 17 ARG HA 1 20 THR H 3.819 . 5.642 3.686 3.402 3.830 . 0 0 "[ . 1 . 2]" 1
stop_
save_
save_distance_constraint_statistics_2
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 2
_Distance_constraint_stats_list.Constraint_count 66
_Distance_constraint_stats_list.Viol_count 529
_Distance_constraint_stats_list.Viol_total 673.551
_Distance_constraint_stats_list.Viol_max 0.302
_Distance_constraint_stats_list.Viol_rms 0.0482
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0255
_Distance_constraint_stats_list.Viol_average_violations_only 0.0637
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
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 12 HIS 0.524 0.099 9 0 "[ . 1 . 2]"
1 13 GLU 0.301 0.091 15 0 "[ . 1 . 2]"
1 14 ASP 0.200 0.045 11 0 "[ . 1 . 2]"
1 15 THR 0.387 0.051 17 0 "[ . 1 . 2]"
1 16 GLN 0.619 0.099 9 0 "[ . 1 . 2]"
1 17 ARG 0.301 0.091 15 0 "[ . 1 . 2]"
1 18 ILE 0.644 0.052 2 0 "[ . 1 . 2]"
1 19 LYS 0.426 0.051 17 0 "[ . 1 . 2]"
1 20 THR 1.207 0.110 6 0 "[ . 1 . 2]"
1 21 ALA 1.156 0.106 12 0 "[ . 1 . 2]"
1 22 PHE 2.984 0.115 15 0 "[ . 1 . 2]"
1 23 LEU 5.738 0.302 14 0 "[ . 1 . 2]"
1 24 SER 1.112 0.110 6 0 "[ . 1 . 2]"
1 25 TYR 1.156 0.106 12 0 "[ . 1 . 2]"
1 26 ALA 2.540 0.115 15 0 "[ . 1 . 2]"
1 27 GLN 5.698 0.302 14 0 "[ . 1 . 2]"
1 34 GLU 1.774 0.139 13 0 "[ . 1 . 2]"
1 35 ALA 1.230 0.128 15 0 "[ . 1 . 2]"
1 36 MET 1.401 0.147 6 0 "[ . 1 . 2]"
1 37 ILE 0.226 0.048 20 0 "[ . 1 . 2]"
1 38 ASP 2.088 0.139 13 0 "[ . 1 . 2]"
1 39 GLN 4.452 0.256 8 0 "[ . 1 . 2]"
1 40 LEU 1.401 0.147 6 0 "[ . 1 . 2]"
1 41 ILE 0.226 0.048 20 0 "[ . 1 . 2]"
1 42 CYS 0.315 0.063 11 0 "[ . 1 . 2]"
1 43 GLY 3.222 0.256 8 0 "[ . 1 . 2]"
1 50 TRP 1.948 0.122 11 0 "[ . 1 . 2]"
1 51 GLU 0.984 0.104 9 0 "[ . 1 . 2]"
1 52 GLN 0.920 0.113 11 0 "[ . 1 . 2]"
1 53 LEU 3.999 0.219 13 0 "[ . 1 . 2]"
1 54 GLN 1.948 0.122 11 0 "[ . 1 . 2]"
1 55 GLU 0.984 0.104 9 0 "[ . 1 . 2]"
1 56 LYS 0.920 0.113 11 0 "[ . 1 . 2]"
1 57 LYS 3.999 0.219 13 0 "[ . 1 . 2]"
1 68 ARG 0.102 0.055 16 0 "[ . 1 . 2]"
1 69 SER 0.040 0.032 17 0 "[ . 1 . 2]"
1 70 ALA 1.120 0.118 19 0 "[ . 1 . 2]"
1 71 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 72 PHE 0.507 0.058 7 0 "[ . 1 . 2]"
1 73 SER 0.040 0.032 17 0 "[ . 1 . 2]"
1 74 LEU 1.120 0.118 19 0 "[ . 1 . 2]"
1 75 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 76 ALA 0.405 0.058 7 0 "[ . 1 . 2]"
1 79 GLU 0.196 0.053 6 0 "[ . 1 . 2]"
1 80 GLN 0.044 0.022 17 0 "[ . 1 . 2]"
1 81 TYR 0.055 0.025 1 0 "[ . 1 . 2]"
1 82 VAL 0.029 0.027 11 0 "[ . 1 . 2]"
1 83 ARG 2.074 0.162 4 0 "[ . 1 . 2]"
1 84 PHE 1.338 0.130 8 0 "[ . 1 . 2]"
1 85 ILE 0.055 0.025 1 0 "[ . 1 . 2]"
1 86 ALA 0.029 0.027 11 0 "[ . 1 . 2]"
1 87 GLN 1.878 0.162 4 0 "[ . 1 . 2]"
1 88 HIS 1.294 0.130 8 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 12 HIS O 1 16 GLN H 1.800 . 2.300 2.249 1.868 2.399 0.099 9 0 "[ . 1 . 2]" 2
2 1 12 HIS O 1 16 GLN N 2.800 2.800 3.300 3.192 2.831 3.333 0.033 9 0 "[ . 1 . 2]" 2
3 1 13 GLU O 1 17 ARG H 1.800 . 2.300 2.005 1.839 2.313 0.013 11 0 "[ . 1 . 2]" 2
4 1 13 GLU O 1 17 ARG N 2.800 2.800 3.300 2.874 2.709 3.221 0.091 15 0 "[ . 1 . 2]" 2
5 1 14 ASP O 1 18 ILE H 1.800 . 2.300 1.973 1.786 2.345 0.045 11 0 "[ . 1 . 2]" 2
6 1 14 ASP O 1 18 ILE N 2.800 2.800 3.300 2.933 2.757 3.335 0.043 15 0 "[ . 1 . 2]" 2
7 1 15 THR O 1 19 LYS H 1.800 . 2.300 2.229 2.028 2.351 0.051 17 0 "[ . 1 . 2]" 2
8 1 15 THR O 1 19 LYS N 2.800 2.800 3.300 3.212 2.990 3.333 0.033 17 0 "[ . 1 . 2]" 2
9 1 16 GLN O 1 20 THR H 1.800 . 2.300 2.054 1.768 2.307 0.032 17 0 "[ . 1 . 2]" 2
10 1 16 GLN O 1 20 THR N 2.800 2.800 3.300 2.986 2.744 3.219 0.056 17 0 "[ . 1 . 2]" 2
11 1 17 ARG O 1 21 ALA H 1.800 . 2.300 2.047 1.929 2.166 . 0 0 "[ . 1 . 2]" 2
12 1 17 ARG O 1 21 ALA N 2.800 2.800 3.300 2.993 2.865 3.110 . 0 0 "[ . 1 . 2]" 2
13 1 18 ILE O 1 22 PHE H 1.800 . 2.300 2.321 2.275 2.352 0.052 2 0 "[ . 1 . 2]" 2
14 1 18 ILE O 1 22 PHE N 2.800 2.800 3.300 3.230 3.190 3.270 . 0 0 "[ . 1 . 2]" 2
15 1 19 LYS O 1 23 LEU H 1.800 . 2.300 2.188 1.996 2.322 0.022 16 0 "[ . 1 . 2]" 2
16 1 19 LYS O 1 23 LEU N 2.800 2.800 3.300 3.162 2.966 3.296 . 0 0 "[ . 1 . 2]" 2
17 1 20 THR O 1 24 SER H 1.800 . 2.300 2.353 2.267 2.410 0.110 6 0 "[ . 1 . 2]" 2
18 1 20 THR O 1 24 SER N 2.800 2.800 3.300 3.271 3.189 3.317 0.017 6 0 "[ . 1 . 2]" 2
19 1 21 ALA O 1 25 TYR H 1.800 . 2.300 1.875 1.824 1.938 . 0 0 "[ . 1 . 2]" 2
20 1 21 ALA O 1 25 TYR N 2.800 2.800 3.300 2.742 2.694 2.788 0.106 12 0 "[ . 1 . 2]" 2
21 1 22 PHE O 1 26 ALA H 1.800 . 2.300 2.377 2.343 2.415 0.115 15 0 "[ . 1 . 2]" 2
22 1 22 PHE O 1 26 ALA N 2.800 2.800 3.300 3.350 3.323 3.398 0.098 15 0 "[ . 1 . 2]" 2
23 1 23 LEU O 1 27 GLN H 1.800 . 2.300 2.545 2.472 2.602 0.302 14 0 "[ . 1 . 2]" 2
24 1 23 LEU O 1 27 GLN N 2.800 2.800 3.300 3.336 3.262 3.396 0.096 9 0 "[ . 1 . 2]" 2
25 1 34 GLU O 1 38 ASP H 1.800 . 2.300 1.831 1.748 1.958 0.052 2 0 "[ . 1 . 2]" 2
26 1 34 GLU O 1 38 ASP N 2.800 2.800 3.300 2.724 2.661 2.789 0.139 13 0 "[ . 1 . 2]" 2
27 1 35 ALA O 1 39 GLN H 1.800 . 2.300 2.351 2.099 2.428 0.128 15 0 "[ . 1 . 2]" 2
28 1 35 ALA O 1 39 GLN N 2.800 2.800 3.300 3.206 2.930 3.307 0.007 5 0 "[ . 1 . 2]" 2
29 1 36 MET O 1 40 LEU H 1.800 . 2.300 2.354 2.251 2.447 0.147 6 0 "[ . 1 . 2]" 2
30 1 36 MET O 1 40 LEU N 2.800 2.800 3.300 3.292 3.183 3.413 0.113 6 0 "[ . 1 . 2]" 2
31 1 37 ILE O 1 41 ILE H 1.800 . 2.300 1.873 1.771 2.155 0.029 20 0 "[ . 1 . 2]" 2
32 1 37 ILE O 1 41 ILE N 2.800 2.800 3.300 2.851 2.752 3.107 0.048 20 0 "[ . 1 . 2]" 2
33 1 38 ASP O 1 42 CYS H 1.800 . 2.300 1.873 1.801 1.974 . 0 0 "[ . 1 . 2]" 2
34 1 38 ASP O 1 42 CYS N 2.800 2.800 3.300 2.805 2.737 2.909 0.063 11 0 "[ . 1 . 2]" 2
35 1 39 GLN O 1 43 GLY H 1.800 . 2.300 2.461 2.393 2.556 0.256 8 0 "[ . 1 . 2]" 2
36 1 39 GLN O 1 43 GLY N 2.800 2.800 3.300 3.113 2.970 3.302 0.002 8 0 "[ . 1 . 2]" 2
37 1 50 TRP O 1 54 GLN H 1.800 . 2.300 1.785 1.736 1.812 0.064 3 0 "[ . 1 . 2]" 2
38 1 50 TRP O 1 54 GLN N 2.800 2.800 3.300 2.719 2.678 2.756 0.122 11 0 "[ . 1 . 2]" 2
39 1 51 GLU O 1 55 GLU H 1.800 . 2.300 2.321 2.005 2.404 0.104 9 0 "[ . 1 . 2]" 2
40 1 51 GLU O 1 55 GLU N 2.800 2.800 3.300 3.250 2.920 3.338 0.038 5 0 "[ . 1 . 2]" 2
41 1 52 GLN O 1 56 LYS H 1.800 . 2.300 2.333 2.183 2.413 0.113 11 0 "[ . 1 . 2]" 2
42 1 52 GLN O 1 56 LYS N 2.800 2.800 3.300 3.158 3.006 3.252 . 0 0 "[ . 1 . 2]" 2
43 1 53 LEU O 1 57 LYS H 1.800 . 2.300 2.457 2.400 2.519 0.219 13 0 "[ . 1 . 2]" 2
44 1 53 LEU O 1 57 LYS N 2.800 2.800 3.300 3.343 3.295 3.393 0.093 4 0 "[ . 1 . 2]" 2
45 1 68 ARG O 1 72 PHE H 1.800 . 2.300 2.116 1.832 2.355 0.055 16 0 "[ . 1 . 2]" 2
46 1 68 ARG O 1 72 PHE N 2.800 2.800 3.300 3.008 2.772 3.216 0.028 3 0 "[ . 1 . 2]" 2
47 1 69 SER O 1 73 SER H 1.800 . 2.300 2.149 1.963 2.332 0.032 17 0 "[ . 1 . 2]" 2
48 1 69 SER O 1 73 SER N 2.800 2.800 3.300 3.016 2.823 3.192 . 0 0 "[ . 1 . 2]" 2
49 1 70 ALA O 1 74 LEU H 1.800 . 2.300 2.345 2.167 2.418 0.118 19 0 "[ . 1 . 2]" 2
50 1 70 ALA O 1 74 LEU N 2.800 2.800 3.300 3.232 3.046 3.315 0.015 19 0 "[ . 1 . 2]" 2
51 1 71 PHE O 1 75 VAL H 1.800 . 2.300 2.073 1.938 2.230 . 0 0 "[ . 1 . 2]" 2
52 1 71 PHE O 1 75 VAL N 2.800 2.800 3.300 3.037 2.908 3.181 . 0 0 "[ . 1 . 2]" 2
53 1 72 PHE O 1 76 ALA H 1.800 . 2.300 1.856 1.797 2.043 0.003 7 0 "[ . 1 . 2]" 2
54 1 72 PHE O 1 76 ALA N 2.800 2.800 3.300 2.792 2.742 2.961 0.058 7 0 "[ . 1 . 2]" 2
55 1 79 GLU O 1 83 ARG H 1.800 . 2.300 2.093 1.769 2.342 0.042 2 0 "[ . 1 . 2]" 2
56 1 79 GLU O 1 83 ARG N 2.800 2.800 3.300 3.039 2.747 3.287 0.053 6 0 "[ . 1 . 2]" 2
57 1 80 GLN O 1 84 PHE H 1.800 . 2.300 2.202 2.100 2.283 . 0 0 "[ . 1 . 2]" 2
58 1 80 GLN O 1 84 PHE N 2.800 2.800 3.300 2.856 2.778 2.968 0.022 17 0 "[ . 1 . 2]" 2
59 1 81 TYR O 1 85 ILE H 1.800 . 2.300 2.223 2.014 2.325 0.025 1 0 "[ . 1 . 2]" 2
60 1 81 TYR O 1 85 ILE N 2.800 2.800 3.300 3.154 2.953 3.253 . 0 0 "[ . 1 . 2]" 2
61 1 82 VAL O 1 86 ALA H 1.800 . 2.300 1.961 1.805 2.302 0.002 4 0 "[ . 1 . 2]" 2
62 1 82 VAL O 1 86 ALA N 2.800 2.800 3.300 2.926 2.773 3.260 0.027 11 0 "[ . 1 . 2]" 2
63 1 83 ARG O 1 87 GLN H 1.800 . 2.300 1.833 1.753 1.967 0.047 4 0 "[ . 1 . 2]" 2
64 1 83 ARG O 1 87 GLN N 2.800 2.800 3.300 2.721 2.638 2.859 0.162 4 0 "[ . 1 . 2]" 2
65 1 84 PHE O 1 88 HIS H 1.800 . 2.300 2.360 2.257 2.430 0.130 8 0 "[ . 1 . 2]" 2
66 1 84 PHE O 1 88 HIS N 2.800 2.800 3.300 3.222 3.078 3.316 0.016 19 0 "[ . 1 . 2]" 2
stop_
save_
Contact the webmaster for help, if required. Sunday, May 19, 2024 8:27:18 AM GMT (wattos1)