NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
654521 |
7jh1   |
30777 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_7jh1
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 1017
_Distance_constraint_stats_list.Viol_count 1952
_Distance_constraint_stats_list.Viol_total 2255.520
_Distance_constraint_stats_list.Viol_max 0.279
_Distance_constraint_stats_list.Viol_rms 0.0220
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0055
_Distance_constraint_stats_list.Viol_average_violations_only 0.0578
_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 5 CYS 0.413 0.073 5 0 "[ . 1 . 2]"
1 6 CYS 2.522 0.113 15 0 "[ . 1 . 2]"
1 7 LEU 1.144 0.093 9 0 "[ . 1 . 2]"
1 8 LYS 0.844 0.110 6 0 "[ . 1 . 2]"
1 9 TYR 7.607 0.130 6 0 "[ . 1 . 2]"
1 10 THR 2.989 0.094 18 0 "[ . 1 . 2]"
1 11 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 12 ARG 0.381 0.058 16 0 "[ . 1 . 2]"
1 13 PRO 0.908 0.054 1 0 "[ . 1 . 2]"
1 14 LEU 3.191 0.190 6 0 "[ . 1 . 2]"
1 15 PRO 0.125 0.059 11 0 "[ . 1 . 2]"
1 16 LEU 7.618 0.250 16 0 "[ . 1 . 2]"
1 17 LYS 0.128 0.059 11 0 "[ . 1 . 2]"
1 18 ARG 6.860 0.250 16 0 "[ . 1 . 2]"
1 19 ILE 5.636 0.121 11 0 "[ . 1 . 2]"
1 20 LYS 9.741 0.188 10 0 "[ . 1 . 2]"
1 21 SER 1.800 0.066 7 0 "[ . 1 . 2]"
1 22 TYR 7.045 0.145 16 0 "[ . 1 . 2]"
1 23 THR 1.660 0.112 14 0 "[ . 1 . 2]"
1 24 ILE 0.036 0.023 12 0 "[ . 1 . 2]"
1 25 GLN 8.162 0.168 13 0 "[ . 1 . 2]"
1 26 SER 0.027 0.023 12 0 "[ . 1 . 2]"
1 27 ASN 3.605 0.185 16 0 "[ . 1 . 2]"
1 28 GLU 0.239 0.103 9 0 "[ . 1 . 2]"
1 29 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 30 CYS 1.583 0.108 15 0 "[ . 1 . 2]"
1 31 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 32 ILE 2.555 0.168 13 0 "[ . 1 . 2]"
1 33 LYS 1.461 0.169 14 0 "[ . 1 . 2]"
1 34 ALA 2.527 0.116 2 0 "[ . 1 . 2]"
1 35 ILE 11.061 0.160 2 0 "[ . 1 . 2]"
1 36 ILE 5.395 0.140 19 0 "[ . 1 . 2]"
1 37 PHE 6.747 0.128 11 0 "[ . 1 . 2]"
1 38 THR 6.783 0.160 2 0 "[ . 1 . 2]"
1 39 THR 0.596 0.129 2 0 "[ . 1 . 2]"
1 40 LYS 9.885 0.188 10 0 "[ . 1 . 2]"
1 41 LYS 1.937 0.213 4 0 "[ . 1 . 2]"
1 42 GLY 1.526 0.116 2 0 "[ . 1 . 2]"
1 43 ARG 4.076 0.168 13 0 "[ . 1 . 2]"
1 44 LYS 0.118 0.052 3 0 "[ . 1 . 2]"
1 45 ILE 5.534 0.190 6 0 "[ . 1 . 2]"
1 46 CYS 3.611 0.094 18 0 "[ . 1 . 2]"
1 47 ALA 0.223 0.060 13 0 "[ . 1 . 2]"
1 48 ASN 10.581 0.267 8 0 "[ . 1 . 2]"
1 49 PRO 4.916 0.126 6 0 "[ . 1 . 2]"
1 50 ASN 5.808 0.279 12 0 "[ . 1 . 2]"
1 51 GLU 7.712 0.156 16 0 "[ . 1 . 2]"
1 52 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 53 TRP 3.652 0.107 19 0 "[ . 1 . 2]"
1 54 VAL 0.374 0.060 13 0 "[ . 1 . 2]"
1 55 GLN 5.187 0.179 2 0 "[ . 1 . 2]"
1 56 LYS 1.539 0.148 18 0 "[ . 1 . 2]"
1 57 ALA 4.385 0.128 11 0 "[ . 1 . 2]"
1 58 MET 5.134 0.132 20 0 "[ . 1 . 2]"
1 59 LYS 1.592 0.137 7 0 "[ . 1 . 2]"
1 60 HIS 4.660 0.122 8 0 "[ . 1 . 2]"
1 61 LEU 1.650 0.145 8 0 "[ . 1 . 2]"
1 62 ASP 0.690 0.085 9 0 "[ . 1 . 2]"
1 63 LYS 2.926 0.137 7 0 "[ . 1 . 2]"
1 64 LYS 0.621 0.145 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 21 SER H 1 22 TYR H . . 4.740 4.297 4.254 4.353 . 0 0 "[ . 1 . 2]" 1
2 1 24 ILE H 1 25 GLN H . . 4.460 4.280 4.213 4.344 . 0 0 "[ . 1 . 2]" 1
3 1 42 GLY H 1 42 GLY HA2 . . 2.870 2.260 2.237 2.291 . 0 0 "[ . 1 . 2]" 1
4 1 47 ALA MB 1 54 VAL H . . 5.410 5.127 4.990 5.351 . 0 0 "[ . 1 . 2]" 1
5 1 54 VAL H 1 54 VAL MG1 . . 4.540 3.752 3.714 3.771 . 0 0 "[ . 1 . 2]" 1
6 1 8 LYS H 1 9 TYR H . . 4.800 4.339 4.257 4.406 . 0 0 "[ . 1 . 2]" 1
7 1 9 TYR H 1 10 THR H . . 4.690 4.401 4.291 4.497 . 0 0 "[ . 1 . 2]" 1
8 1 43 ARG H 1 44 LYS H . . 4.640 4.595 4.548 4.647 0.007 9 0 "[ . 1 . 2]" 1
9 1 44 LYS H 1 45 ILE H . . 4.750 4.313 4.123 4.430 . 0 0 "[ . 1 . 2]" 1
10 1 42 GLY H 1 43 ARG H . . 3.060 2.506 2.398 2.604 . 0 0 "[ . 1 . 2]" 1
11 1 6 CYS H 1 46 CYS HB3 . . 5.290 5.228 5.144 5.300 0.010 6 0 "[ . 1 . 2]" 1
12 1 6 CYS H 1 6 CYS HB2 . . 3.460 2.328 2.273 2.382 . 0 0 "[ . 1 . 2]" 1
13 1 6 CYS H 1 25 GLN HG2 . . 5.450 4.447 4.328 4.529 . 0 0 "[ . 1 . 2]" 1
14 1 6 CYS H 1 36 ILE HG13 . . 5.500 4.677 4.110 5.062 . 0 0 "[ . 1 . 2]" 1
15 1 6 CYS H 1 36 ILE MD . . 4.630 3.601 3.309 3.873 . 0 0 "[ . 1 . 2]" 1
16 1 6 CYS H 1 32 ILE QG . . 5.480 4.084 3.913 4.265 . 0 0 "[ . 1 . 2]" 1
17 1 7 LEU H 1 8 LYS H . . 5.270 2.003 1.845 2.104 . 0 0 "[ . 1 . 2]" 1
18 1 8 LYS H 1 46 CYS HB2 . . 5.260 4.440 4.220 4.683 . 0 0 "[ . 1 . 2]" 1
19 1 8 LYS H 1 46 CYS HB3 . . 5.420 4.022 3.726 4.289 . 0 0 "[ . 1 . 2]" 1
20 1 6 CYS HB2 1 8 LYS H . . 4.970 3.961 3.638 4.356 . 0 0 "[ . 1 . 2]" 1
21 1 6 CYS HB3 1 8 LYS H . . 4.480 2.595 2.337 2.864 . 0 0 "[ . 1 . 2]" 1
22 1 8 LYS H 1 8 LYS HB3 . . 4.040 3.416 2.517 3.811 . 0 0 "[ . 1 . 2]" 1
23 1 8 LYS H 1 32 ILE MD . . 4.590 3.181 2.870 3.571 . 0 0 "[ . 1 . 2]" 1
24 1 10 THR H 1 12 ARG H . . 5.390 5.283 5.124 5.426 0.036 3 0 "[ . 1 . 2]" 1
25 1 10 THR H 1 48 ASN H . . 4.700 3.716 3.567 3.921 . 0 0 "[ . 1 . 2]" 1
26 1 10 THR H 1 47 ALA HA . . 3.340 2.435 2.285 2.652 . 0 0 "[ . 1 . 2]" 1
27 1 10 THR H 1 10 THR HA . . 2.750 2.799 2.788 2.815 0.065 16 0 "[ . 1 . 2]" 1
28 1 10 THR H 1 46 CYS HB2 . . 4.220 3.580 3.328 3.719 . 0 0 "[ . 1 . 2]" 1
29 1 10 THR H 1 48 ASN HB2 . . 5.210 5.157 4.966 5.272 0.062 4 0 "[ . 1 . 2]" 1
30 1 10 THR H 1 47 ALA MB . . 4.590 3.915 3.747 4.121 . 0 0 "[ . 1 . 2]" 1
31 1 10 THR H 1 47 ALA H . . 4.660 4.506 4.415 4.582 . 0 0 "[ . 1 . 2]" 1
32 1 23 THR H 1 36 ILE H . . 3.380 2.721 2.632 2.874 . 0 0 "[ . 1 . 2]" 1
33 1 22 TYR HA 1 36 ILE H . . 4.570 4.643 4.627 4.676 0.106 6 0 "[ . 1 . 2]" 1
34 1 9 TYR H 1 46 CYS HB3 . . 5.200 5.247 5.211 5.271 0.071 9 0 "[ . 1 . 2]" 1
35 1 9 TYR H 1 34 ALA MB . . 5.070 5.120 5.071 5.178 0.108 5 0 "[ . 1 . 2]" 1
36 1 9 TYR H 1 32 ILE MD . . 4.650 4.344 3.993 4.622 . 0 0 "[ . 1 . 2]" 1
37 1 36 ILE H 1 36 ILE HG13 . . 3.510 3.319 2.339 3.534 0.024 6 0 "[ . 1 . 2]" 1
38 1 36 ILE H 1 36 ILE MG . . 4.330 3.822 3.700 3.867 . 0 0 "[ . 1 . 2]" 1
39 1 25 GLN H 1 36 ILE H . . 4.520 3.738 3.399 3.935 . 0 0 "[ . 1 . 2]" 1
40 1 36 ILE H 1 37 PHE H . . 4.890 4.193 4.137 4.226 . 0 0 "[ . 1 . 2]" 1
41 1 10 THR H 1 11 LYS H . . 5.110 4.544 4.501 4.629 . 0 0 "[ . 1 . 2]" 1
42 1 12 ARG H 1 13 PRO HD3 . . 5.240 4.470 4.142 4.782 . 0 0 "[ . 1 . 2]" 1
43 1 12 ARG H 1 12 ARG HB3 . . 3.110 2.631 2.351 3.132 0.022 5 0 "[ . 1 . 2]" 1
44 1 16 LEU H 1 17 LYS H . . 3.680 2.574 2.478 2.740 . 0 0 "[ . 1 . 2]" 1
45 1 16 LEU H 1 18 ARG H . . 4.720 4.106 4.054 4.190 . 0 0 "[ . 1 . 2]" 1
46 1 17 LYS H 1 18 ARG H . . 3.340 2.705 2.609 2.810 . 0 0 "[ . 1 . 2]" 1
47 1 16 LEU H 1 16 LEU HB3 . . 2.830 2.394 2.338 2.460 . 0 0 "[ . 1 . 2]" 1
48 1 16 LEU H 1 16 LEU HB2 . . 3.320 2.645 2.576 2.717 . 0 0 "[ . 1 . 2]" 1
49 1 16 LEU H 1 16 LEU MD1 . . 4.660 4.132 4.076 4.189 . 0 0 "[ . 1 . 2]" 1
50 1 16 LEU H 1 16 LEU MD2 . . 4.260 4.095 4.042 4.155 . 0 0 "[ . 1 . 2]" 1
51 1 16 LEU H 1 19 ILE MD . . 4.700 3.794 3.591 3.995 . 0 0 "[ . 1 . 2]" 1
52 1 17 LYS H 1 19 ILE MD . . 5.500 4.743 4.685 4.828 . 0 0 "[ . 1 . 2]" 1
53 1 15 PRO HD2 1 18 ARG H . . 5.040 4.648 4.123 5.049 0.009 20 0 "[ . 1 . 2]" 1
54 1 16 LEU HB3 1 18 ARG H . . 4.760 4.783 4.753 4.815 0.055 4 0 "[ . 1 . 2]" 1
55 1 16 LEU MD2 1 18 ARG H . . 5.500 5.695 5.655 5.750 0.250 16 0 "[ . 1 . 2]" 1
56 1 15 PRO HB2 1 18 ARG H . . 4.810 3.204 2.872 3.401 . 0 0 "[ . 1 . 2]" 1
57 1 19 ILE H 1 40 LYS H . . 5.280 4.875 4.752 5.113 . 0 0 "[ . 1 . 2]" 1
58 1 19 ILE H 1 20 LYS H . . 4.720 4.392 4.225 4.461 . 0 0 "[ . 1 . 2]" 1
59 1 20 LYS H 1 21 SER H . . 3.080 2.383 2.326 2.561 . 0 0 "[ . 1 . 2]" 1
60 1 21 SER H 1 38 THR H . . 3.250 3.134 3.079 3.219 . 0 0 "[ . 1 . 2]" 1
61 1 19 ILE H 1 39 THR HA . . 4.870 4.591 4.502 4.661 . 0 0 "[ . 1 . 2]" 1
62 1 17 LYS HA 1 19 ILE H . . 4.140 3.885 3.506 4.127 . 0 0 "[ . 1 . 2]" 1
63 1 16 LEU HA 1 19 ILE H . . 4.080 3.508 3.259 3.963 . 0 0 "[ . 1 . 2]" 1
64 1 20 LYS H 1 38 THR HB . . 4.460 4.008 3.836 4.191 . 0 0 "[ . 1 . 2]" 1
65 1 18 ARG HB3 1 19 ILE H . . 4.740 4.141 3.589 4.471 . 0 0 "[ . 1 . 2]" 1
66 1 19 ILE H 1 19 ILE HG13 . . 3.000 2.535 2.467 2.619 . 0 0 "[ . 1 . 2]" 1
67 1 16 LEU HG 1 19 ILE H . . 4.870 4.537 4.255 4.750 . 0 0 "[ . 1 . 2]" 1
68 1 19 ILE H 1 40 LYS HG2 . . 4.350 4.433 4.402 4.471 0.121 11 0 "[ . 1 . 2]" 1
69 1 16 LEU MD1 1 19 ILE H . . 5.190 3.829 3.524 4.223 . 0 0 "[ . 1 . 2]" 1
70 1 20 LYS H 1 20 LYS HD2 . . 3.320 3.405 3.353 3.436 0.116 15 0 "[ . 1 . 2]" 1
71 1 20 LYS H 1 20 LYS HG2 . . 3.420 2.473 2.294 2.597 . 0 0 "[ . 1 . 2]" 1
72 1 22 TYR H 1 22 TYR HD1 . . 3.350 3.330 3.217 3.394 0.044 13 0 "[ . 1 . 2]" 1
73 1 23 THR H 1 37 PHE HD1 . . 5.320 4.393 4.252 4.641 . 0 0 "[ . 1 . 2]" 1
74 1 21 SER H 1 37 PHE HA . . 4.730 4.771 4.743 4.796 0.066 7 0 "[ . 1 . 2]" 1
75 1 22 TYR H 1 37 PHE HA . . 5.390 4.896 4.825 4.966 . 0 0 "[ . 1 . 2]" 1
76 1 22 TYR H 1 22 TYR HB3 . . 3.920 3.212 3.169 3.245 . 0 0 "[ . 1 . 2]" 1
77 1 23 THR H 1 37 PHE HA . . 4.250 3.917 3.831 4.078 . 0 0 "[ . 1 . 2]" 1
78 1 23 THR H 1 36 ILE HA . . 5.500 4.401 4.350 4.609 . 0 0 "[ . 1 . 2]" 1
79 1 19 ILE HB 1 21 SER H . . 4.750 4.711 4.595 4.773 0.023 13 0 "[ . 1 . 2]" 1
80 1 19 ILE MG 1 21 SER H . . 3.190 2.372 2.278 2.422 . 0 0 "[ . 1 . 2]" 1
81 1 19 ILE HG12 1 21 SER H . . 5.500 5.531 5.438 5.560 0.060 17 0 "[ . 1 . 2]" 1
82 1 22 TYR H 1 61 LEU HB2 . . 5.370 4.642 4.254 4.905 . 0 0 "[ . 1 . 2]" 1
83 1 22 TYR H 1 61 LEU MD1 . . 3.980 3.379 3.183 3.636 . 0 0 "[ . 1 . 2]" 1
84 1 22 TYR H 1 61 LEU MD2 . . 4.350 4.345 4.161 4.400 0.050 7 0 "[ . 1 . 2]" 1
85 1 22 TYR H 1 35 ILE MG . . 5.460 4.932 4.883 5.034 . 0 0 "[ . 1 . 2]" 1
86 1 23 THR H 1 36 ILE MD . . 5.210 3.864 3.629 4.366 . 0 0 "[ . 1 . 2]" 1
87 1 23 THR H 1 36 ILE MG . . 4.730 3.935 3.645 4.129 . 0 0 "[ . 1 . 2]" 1
88 1 23 THR H 1 35 ILE MD . . 5.110 4.786 4.676 4.939 . 0 0 "[ . 1 . 2]" 1
89 1 23 THR H 1 35 ILE MG . . 3.920 3.142 2.933 3.411 . 0 0 "[ . 1 . 2]" 1
90 1 24 ILE H 1 24 ILE HG13 . . 3.720 2.379 2.261 2.515 . 0 0 "[ . 1 . 2]" 1
91 1 24 ILE H 1 24 ILE MG . . 4.060 3.791 3.766 3.808 . 0 0 "[ . 1 . 2]" 1
92 1 24 ILE H 1 35 ILE MG . . 5.380 4.607 4.384 4.859 . 0 0 "[ . 1 . 2]" 1
93 1 23 THR MG 1 25 GLN H . . 4.370 4.013 3.888 4.340 . 0 0 "[ . 1 . 2]" 1
94 1 25 GLN H 1 35 ILE QG . . 4.280 4.307 4.187 4.380 0.100 3 0 "[ . 1 . 2]" 1
95 1 25 GLN H 1 35 ILE MD . . 3.960 2.408 2.113 2.645 . 0 0 "[ . 1 . 2]" 1
96 1 25 GLN H 1 35 ILE MG . . 5.080 4.129 3.929 4.373 . 0 0 "[ . 1 . 2]" 1
97 1 25 GLN HE21 1 32 ILE H . . 4.180 2.627 2.392 2.937 . 0 0 "[ . 1 . 2]" 1
98 1 26 SER H 1 29 ALA MB . . 5.500 4.004 3.524 5.259 . 0 0 "[ . 1 . 2]" 1
99 1 24 ILE MG 1 26 SER H . . 5.500 3.871 3.706 4.289 . 0 0 "[ . 1 . 2]" 1
100 1 30 CYS H 1 30 CYS HB2 . . 3.860 2.539 2.455 2.684 . 0 0 "[ . 1 . 2]" 1
101 1 27 ASN HA 1 32 ILE H . . 4.920 3.932 3.727 4.371 . 0 0 "[ . 1 . 2]" 1
102 1 30 CYS HB2 1 32 ILE H . . 3.520 3.388 3.215 3.544 0.024 17 0 "[ . 1 . 2]" 1
103 1 32 ILE H 1 32 ILE MD . . 5.100 3.927 3.822 4.028 . 0 0 "[ . 1 . 2]" 1
104 1 32 ILE H 1 33 LYS H . . 4.630 4.400 4.354 4.465 . 0 0 "[ . 1 . 2]" 1
105 1 9 TYR HE1 1 33 LYS H . . 5.350 4.459 4.012 4.664 . 0 0 "[ . 1 . 2]" 1
106 1 27 ASN HD22 1 33 LYS H . . 5.500 4.766 3.807 5.543 0.043 12 0 "[ . 1 . 2]" 1
107 1 25 GLN HE21 1 34 ALA H . . 4.770 3.108 2.889 3.282 . 0 0 "[ . 1 . 2]" 1
108 1 25 GLN HE22 1 34 ALA H . . 5.300 3.744 3.553 3.983 . 0 0 "[ . 1 . 2]" 1
109 1 9 TYR HE1 1 34 ALA H . . 5.270 4.412 4.335 4.522 . 0 0 "[ . 1 . 2]" 1
110 1 9 TYR HE1 1 35 ILE H . . 4.390 4.179 3.842 4.429 0.039 14 0 "[ . 1 . 2]" 1
111 1 34 ALA H 1 49 PRO HD3 . . 5.440 4.674 4.566 4.853 . 0 0 "[ . 1 . 2]" 1
112 1 35 ILE H 1 49 PRO HD3 . . 3.800 1.986 1.711 2.661 . 0 0 "[ . 1 . 2]" 1
113 1 25 GLN HG2 1 33 LYS H . . 5.500 4.967 4.851 5.140 . 0 0 "[ . 1 . 2]" 1
114 1 34 ALA H 1 36 ILE MD . . 4.330 4.165 4.016 4.446 0.116 2 0 "[ . 1 . 2]" 1
115 1 32 ILE MD 1 34 ALA H . . 5.500 4.531 4.418 4.706 . 0 0 "[ . 1 . 2]" 1
116 1 35 ILE H 1 48 ASN HA . . 4.850 4.009 3.769 4.237 . 0 0 "[ . 1 . 2]" 1
117 1 25 GLN HB3 1 35 ILE H . . 4.950 4.486 4.318 4.687 . 0 0 "[ . 1 . 2]" 1
118 1 35 ILE H 1 49 PRO HB2 . . 4.840 4.919 4.879 4.966 0.126 6 0 "[ . 1 . 2]" 1
119 1 35 ILE H 1 35 ILE QG . . 3.460 2.107 2.009 2.303 . 0 0 "[ . 1 . 2]" 1
120 1 35 ILE H 1 35 ILE MG . . 4.190 3.791 3.753 3.827 . 0 0 "[ . 1 . 2]" 1
121 1 38 THR H 1 39 THR H . . 5.040 4.351 4.304 4.453 . 0 0 "[ . 1 . 2]" 1
122 1 20 LYS H 1 40 LYS H . . 4.070 3.971 3.849 4.075 0.005 12 0 "[ . 1 . 2]" 1
123 1 39 THR H 1 40 LYS H . . 5.130 4.478 4.407 4.527 . 0 0 "[ . 1 . 2]" 1
124 1 40 LYS H 1 42 GLY H . . 4.780 3.788 3.704 3.861 . 0 0 "[ . 1 . 2]" 1
125 1 39 THR H 1 42 GLY H . . 4.310 3.355 3.195 3.466 . 0 0 "[ . 1 . 2]" 1
126 1 39 THR H 1 43 ARG H . . 3.430 2.871 2.702 3.017 . 0 0 "[ . 1 . 2]" 1
127 1 37 PHE H 1 37 PHE HD1 . . 3.980 2.442 2.345 2.541 . 0 0 "[ . 1 . 2]" 1
128 1 37 PHE H 1 45 ILE H . . 3.200 3.191 3.091 3.228 0.028 16 0 "[ . 1 . 2]" 1
129 1 20 LYS H 1 38 THR H . . 4.510 4.145 4.026 4.340 . 0 0 "[ . 1 . 2]" 1
130 1 38 THR HA 1 43 ARG H . . 4.680 4.434 4.267 4.575 . 0 0 "[ . 1 . 2]" 1
131 1 39 THR HB 1 43 ARG H . . 4.690 4.261 4.028 4.511 . 0 0 "[ . 1 . 2]" 1
132 1 22 TYR HA 1 37 PHE H . . 5.500 4.678 4.629 4.730 . 0 0 "[ . 1 . 2]" 1
133 1 36 ILE HA 1 37 PHE H . . 3.470 2.049 2.004 2.112 . 0 0 "[ . 1 . 2]" 1
134 1 22 TYR HA 1 38 THR H . . 3.640 3.023 2.780 3.127 . 0 0 "[ . 1 . 2]" 1
135 1 38 THR H 1 38 THR HB . . 2.920 2.663 2.609 2.721 . 0 0 "[ . 1 . 2]" 1
136 1 39 THR H 1 43 ARG HA . . 4.850 4.703 4.610 4.847 . 0 0 "[ . 1 . 2]" 1
137 1 19 ILE HA 1 39 THR H . . 5.210 4.609 4.519 4.697 . 0 0 "[ . 1 . 2]" 1
138 1 39 THR H 1 42 GLY HA2 . . 4.880 3.633 3.565 3.699 . 0 0 "[ . 1 . 2]" 1
139 1 39 THR H 1 42 GLY HA3 . . 5.500 4.989 4.956 5.036 . 0 0 "[ . 1 . 2]" 1
140 1 39 THR HB 1 42 GLY H . . 4.860 3.671 3.445 3.834 . 0 0 "[ . 1 . 2]" 1
141 1 40 LYS HA 1 42 GLY H . . 4.300 3.396 3.313 3.554 . 0 0 "[ . 1 . 2]" 1
142 1 38 THR HA 1 42 GLY H . . 5.420 5.184 5.085 5.276 . 0 0 "[ . 1 . 2]" 1
143 1 19 ILE HA 1 40 LYS H . . 4.030 3.517 3.310 3.807 . 0 0 "[ . 1 . 2]" 1
144 1 18 ARG HA 1 40 LYS H . . 4.610 3.862 3.708 4.058 . 0 0 "[ . 1 . 2]" 1
145 1 37 PHE H 1 37 PHE HB3 . . 3.820 3.461 3.407 3.497 . 0 0 "[ . 1 . 2]" 1
146 1 37 PHE H 1 37 PHE HB2 . . 3.200 2.144 2.078 2.201 . 0 0 "[ . 1 . 2]" 1
147 1 37 PHE H 1 45 ILE HB . . 3.880 3.158 3.044 3.293 . 0 0 "[ . 1 . 2]" 1
148 1 37 PHE H 1 47 ALA MB . . 4.150 3.616 3.430 3.771 . 0 0 "[ . 1 . 2]" 1
149 1 19 ILE MG 1 37 PHE H . . 5.190 5.257 5.212 5.309 0.119 10 0 "[ . 1 . 2]" 1
150 1 37 PHE H 1 45 ILE MD . . 4.580 4.365 4.276 4.477 . 0 0 "[ . 1 . 2]" 1
151 1 35 ILE MG 1 37 PHE H . . 4.870 3.940 3.829 4.050 . 0 0 "[ . 1 . 2]" 1
152 1 22 TYR HB2 1 38 THR H . . 4.800 4.745 4.583 4.827 0.027 4 0 "[ . 1 . 2]" 1
153 1 22 TYR HB2 1 37 PHE H . . 5.500 4.513 4.359 4.622 . 0 0 "[ . 1 . 2]" 1
154 1 38 THR H 1 45 ILE HB . . 5.350 5.102 4.840 5.259 . 0 0 "[ . 1 . 2]" 1
155 1 38 THR H 1 38 THR MG . . 3.780 3.825 3.804 3.841 0.061 15 0 "[ . 1 . 2]" 1
156 1 36 ILE MG 1 38 THR H . . 4.800 4.573 4.228 4.806 0.006 2 0 "[ . 1 . 2]" 1
157 1 35 ILE MG 1 38 THR H . . 5.400 5.498 5.465 5.560 0.160 2 0 "[ . 1 . 2]" 1
158 1 37 PHE HB3 1 39 THR H . . 5.500 5.087 4.962 5.210 . 0 0 "[ . 1 . 2]" 1
159 1 39 THR H 1 41 LYS HB2 . . 5.500 4.891 4.226 5.629 0.129 2 0 "[ . 1 . 2]" 1
160 1 39 THR H 1 45 ILE MD . . 4.930 2.740 2.625 2.895 . 0 0 "[ . 1 . 2]" 1
161 1 18 ARG HB3 1 40 LYS H . . 4.750 4.027 3.250 4.789 0.039 11 0 "[ . 1 . 2]" 1
162 1 40 LYS H 1 40 LYS HB3 . . 3.700 3.595 3.565 3.620 . 0 0 "[ . 1 . 2]" 1
163 1 40 LYS H 1 40 LYS HB2 . . 3.210 2.632 2.529 2.739 . 0 0 "[ . 1 . 2]" 1
164 1 20 LYS HD2 1 40 LYS H . . 4.040 4.133 4.108 4.156 0.116 18 0 "[ . 1 . 2]" 1
165 1 19 ILE MG 1 40 LYS H . . 5.340 5.174 4.980 5.376 0.036 20 0 "[ . 1 . 2]" 1
166 1 40 LYS HB2 1 42 GLY H . . 4.610 4.686 4.653 4.726 0.116 2 0 "[ . 1 . 2]" 1
167 1 20 LYS HG2 1 42 GLY H . . 5.070 4.169 4.016 4.366 . 0 0 "[ . 1 . 2]" 1
168 1 41 LYS HB2 1 43 ARG H . . 4.900 3.130 2.387 4.364 . 0 0 "[ . 1 . 2]" 1
169 1 41 LYS HB3 1 43 ARG H . . 3.680 3.480 2.555 3.752 0.072 7 0 "[ . 1 . 2]" 1
170 1 38 THR MG 1 43 ARG H . . 3.680 3.426 3.290 3.544 . 0 0 "[ . 1 . 2]" 1
171 1 41 LYS HG2 1 43 ARG H . . 5.450 5.068 4.270 5.490 0.040 9 0 "[ . 1 . 2]" 1
172 1 43 ARG H 1 45 ILE MD . . 5.500 3.847 3.606 4.053 . 0 0 "[ . 1 . 2]" 1
173 1 37 PHE HD1 1 45 ILE H . . 5.500 5.456 5.327 5.519 0.019 2 0 "[ . 1 . 2]" 1
174 1 37 PHE H 1 46 CYS H . . 4.910 4.753 4.657 4.842 . 0 0 "[ . 1 . 2]" 1
175 1 45 ILE H 1 46 CYS H . . 4.950 4.225 4.071 4.321 . 0 0 "[ . 1 . 2]" 1
176 1 9 TYR HD1 1 47 ALA H . . 4.550 4.293 4.158 4.475 . 0 0 "[ . 1 . 2]" 1
177 1 37 PHE HD1 1 47 ALA H . . 5.500 3.969 3.617 4.371 . 0 0 "[ . 1 . 2]" 1
178 1 9 TYR HD1 1 48 ASN H . . 4.330 3.149 2.904 3.351 . 0 0 "[ . 1 . 2]" 1
179 1 47 ALA H 1 48 ASN H . . 5.130 4.459 4.361 4.497 . 0 0 "[ . 1 . 2]" 1
180 1 48 ASN H 1 53 TRP HZ2 . . 5.130 4.045 3.676 4.415 . 0 0 "[ . 1 . 2]" 1
181 1 48 ASN H 1 51 GLU H . . 5.430 4.929 4.831 5.046 . 0 0 "[ . 1 . 2]" 1
182 1 50 ASN H 1 50 ASN HD22 . . 4.860 4.028 3.784 4.182 . 0 0 "[ . 1 . 2]" 1
183 1 50 ASN H 1 50 ASN HD21 . . 3.480 3.250 2.186 3.759 0.279 12 0 "[ . 1 . 2]" 1
184 1 50 ASN H 1 51 GLU H . . 3.160 2.557 2.499 2.710 . 0 0 "[ . 1 . 2]" 1
185 1 51 GLU H 1 53 TRP H . . 5.500 5.502 5.430 5.533 0.033 12 0 "[ . 1 . 2]" 1
186 1 37 PHE H 1 47 ALA H . . 4.930 3.529 3.399 3.641 . 0 0 "[ . 1 . 2]" 1
187 1 37 PHE HE1 1 47 ALA H . . 5.500 5.011 4.642 5.484 . 0 0 "[ . 1 . 2]" 1
188 1 51 GLU H 1 54 VAL H . . 4.600 4.468 4.360 4.574 . 0 0 "[ . 1 . 2]" 1
189 1 53 TRP H 1 53 TRP HD1 . . 3.670 2.494 2.336 2.601 . 0 0 "[ . 1 . 2]" 1
190 1 54 VAL H 1 55 GLN H . . 3.380 2.473 2.426 2.566 . 0 0 "[ . 1 . 2]" 1
191 1 54 VAL H 1 56 LYS H . . 4.460 3.954 3.804 4.169 . 0 0 "[ . 1 . 2]" 1
192 1 53 TRP H 1 54 VAL H . . 4.120 2.553 2.501 2.613 . 0 0 "[ . 1 . 2]" 1
193 1 36 ILE HA 1 45 ILE H . . 4.780 4.187 3.930 4.360 . 0 0 "[ . 1 . 2]" 1
194 1 37 PHE HB3 1 45 ILE H . . 4.810 4.196 4.038 4.328 . 0 0 "[ . 1 . 2]" 1
195 1 37 PHE HB2 1 45 ILE H . . 4.020 3.474 3.354 3.601 . 0 0 "[ . 1 . 2]" 1
196 1 9 TYR HA 1 48 ASN H . . 5.000 4.199 3.956 4.415 . 0 0 "[ . 1 . 2]" 1
197 1 48 ASN H 1 49 PRO HD3 . . 4.950 4.592 4.267 4.686 . 0 0 "[ . 1 . 2]" 1
198 1 48 ASN H 1 49 PRO HD2 . . 5.270 4.732 4.642 5.226 . 0 0 "[ . 1 . 2]" 1
199 1 9 TYR HB2 1 48 ASN H . . 3.690 3.778 3.744 3.807 0.117 8 0 "[ . 1 . 2]" 1
200 1 48 ASN H 1 48 ASN HB3 . . 3.190 2.283 2.234 2.349 . 0 0 "[ . 1 . 2]" 1
201 1 48 ASN HA 1 50 ASN H . . 4.480 3.608 3.536 3.759 . 0 0 "[ . 1 . 2]" 1
202 1 49 PRO HD3 1 51 GLU H . . 5.340 5.401 5.345 5.440 0.100 8 0 "[ . 1 . 2]" 1
203 1 49 PRO HA 1 51 GLU H . . 4.870 3.623 3.495 3.749 . 0 0 "[ . 1 . 2]" 1
204 1 36 ILE MG 1 44 LYS H . . 5.500 4.852 4.536 5.286 . 0 0 "[ . 1 . 2]" 1
205 1 45 ILE H 1 45 ILE HB . . 3.030 2.618 2.530 2.722 . 0 0 "[ . 1 . 2]" 1
206 1 45 ILE H 1 45 ILE MD . . 4.120 2.251 2.130 2.426 . 0 0 "[ . 1 . 2]" 1
207 1 37 PHE HB2 1 46 CYS H . . 5.220 5.268 5.237 5.308 0.088 20 0 "[ . 1 . 2]" 1
208 1 10 THR MG 1 46 CYS H . . 4.220 4.245 4.217 4.274 0.054 10 0 "[ . 1 . 2]" 1
209 1 36 ILE MG 1 46 CYS H . . 5.040 4.159 3.759 4.467 . 0 0 "[ . 1 . 2]" 1
210 1 47 ALA H 1 47 ALA MB . . 3.170 2.440 2.401 2.464 . 0 0 "[ . 1 . 2]" 1
211 1 10 THR MG 1 47 ALA H . . 4.420 4.114 4.017 4.359 . 0 0 "[ . 1 . 2]" 1
212 1 36 ILE HG13 1 47 ALA H . . 4.850 4.406 4.168 4.530 . 0 0 "[ . 1 . 2]" 1
213 1 36 ILE MG 1 47 ALA H . . 5.310 4.668 4.360 4.879 . 0 0 "[ . 1 . 2]" 1
214 1 47 ALA H 1 54 VAL MG1 . . 5.080 4.938 4.717 5.140 0.060 13 0 "[ . 1 . 2]" 1
215 1 35 ILE MG 1 47 ALA H . . 4.920 4.428 4.357 4.532 . 0 0 "[ . 1 . 2]" 1
216 1 47 ALA H 1 54 VAL MG2 . . 5.280 4.861 4.744 5.045 . 0 0 "[ . 1 . 2]" 1
217 1 45 ILE HB 1 47 ALA H . . 5.500 5.226 5.132 5.340 . 0 0 "[ . 1 . 2]" 1
218 1 48 ASN H 1 51 GLU HG2 . . 4.970 4.899 4.548 5.040 0.070 7 0 "[ . 1 . 2]" 1
219 1 48 ASN H 1 54 VAL MG2 . . 3.760 3.185 2.970 3.400 . 0 0 "[ . 1 . 2]" 1
220 1 50 ASN H 1 54 VAL MG1 . . 5.380 4.614 4.484 4.774 . 0 0 "[ . 1 . 2]" 1
221 1 50 ASN H 1 54 VAL MG2 . . 5.400 4.778 4.674 4.898 . 0 0 "[ . 1 . 2]" 1
222 1 51 GLU H 1 51 GLU HG2 . . 3.690 3.189 3.040 3.371 . 0 0 "[ . 1 . 2]" 1
223 1 51 GLU H 1 54 VAL MG2 . . 3.940 3.395 3.233 3.523 . 0 0 "[ . 1 . 2]" 1
224 1 51 GLU HB3 1 53 TRP H . . 4.890 2.958 2.844 3.032 . 0 0 "[ . 1 . 2]" 1
225 1 53 TRP H 1 53 TRP HB3 . . 3.570 2.601 2.570 2.627 . 0 0 "[ . 1 . 2]" 1
226 1 53 TRP H 1 53 TRP HB2 . . 4.180 3.680 3.657 3.695 . 0 0 "[ . 1 . 2]" 1
227 1 55 GLN H 1 56 LYS H . . 3.240 2.613 2.499 2.678 . 0 0 "[ . 1 . 2]" 1
228 1 58 MET H 1 59 LYS H . . 3.190 2.810 2.695 2.887 . 0 0 "[ . 1 . 2]" 1
229 1 59 LYS H 1 60 HIS H . . 3.230 2.642 2.501 2.770 . 0 0 "[ . 1 . 2]" 1
230 1 60 HIS H 1 62 ASP H . . 4.130 3.989 3.817 4.141 0.011 13 0 "[ . 1 . 2]" 1
231 1 63 LYS H 1 64 LYS H . . 3.680 2.950 2.136 3.727 0.047 3 0 "[ . 1 . 2]" 1
232 1 55 GLN H 1 57 ALA H . . 4.560 4.040 3.859 4.149 . 0 0 "[ . 1 . 2]" 1
233 1 53 TRP H 1 55 GLN H . . 5.190 4.077 3.997 4.162 . 0 0 "[ . 1 . 2]" 1
234 1 56 LYS H 1 57 ALA H . . 3.220 2.605 2.487 2.711 . 0 0 "[ . 1 . 2]" 1
235 1 57 ALA H 1 59 LYS H . . 4.910 4.268 4.019 4.499 . 0 0 "[ . 1 . 2]" 1
236 1 54 VAL H 1 57 ALA H . . 5.500 4.559 4.475 4.656 . 0 0 "[ . 1 . 2]" 1
237 1 37 PHE HZ 1 57 ALA H . . 5.390 4.319 4.171 4.558 . 0 0 "[ . 1 . 2]" 1
238 1 55 GLN H 1 58 MET H . . 4.730 4.633 4.546 4.710 . 0 0 "[ . 1 . 2]" 1
239 1 37 PHE HZ 1 58 MET H . . 4.310 3.792 3.615 4.110 . 0 0 "[ . 1 . 2]" 1
240 1 22 TYR HE1 1 58 MET H . . 4.430 4.512 4.443 4.546 0.116 12 0 "[ . 1 . 2]" 1
241 1 56 LYS H 1 59 LYS H . . 5.180 4.933 4.610 5.162 . 0 0 "[ . 1 . 2]" 1
242 1 56 LYS H 1 58 MET H . . 4.620 4.121 3.937 4.282 . 0 0 "[ . 1 . 2]" 1
243 1 22 TYR HE1 1 59 LYS H . . 5.500 4.929 4.730 5.332 . 0 0 "[ . 1 . 2]" 1
244 1 60 HIS H 1 60 HIS HD2 . . 4.750 4.829 4.809 4.869 0.119 20 0 "[ . 1 . 2]" 1
245 1 60 HIS H 1 61 LEU H . . 3.160 2.539 2.472 2.595 . 0 0 "[ . 1 . 2]" 1
246 1 62 ASP H 1 63 LYS H . . 3.220 2.443 2.286 2.580 . 0 0 "[ . 1 . 2]" 1
247 1 59 LYS H 1 62 ASP H . . 5.050 4.687 4.592 4.852 . 0 0 "[ . 1 . 2]" 1
248 1 53 TRP HA 1 55 GLN H . . 4.660 4.346 4.149 4.458 . 0 0 "[ . 1 . 2]" 1
249 1 53 TRP HB2 1 56 LYS H . . 5.470 5.401 5.291 5.490 0.020 2 0 "[ . 1 . 2]" 1
250 1 53 TRP HA 1 57 ALA H . . 4.650 4.094 3.937 4.254 . 0 0 "[ . 1 . 2]" 1
251 1 58 MET H 1 60 HIS HB3 . . 5.220 5.273 5.195 5.334 0.114 18 0 "[ . 1 . 2]" 1
252 1 57 ALA HA 1 60 HIS H . . 3.630 3.528 3.427 3.652 0.022 4 0 "[ . 1 . 2]" 1
253 1 58 MET HA 1 60 HIS H . . 4.600 4.309 4.124 4.602 0.002 20 0 "[ . 1 . 2]" 1
254 1 60 HIS H 1 60 HIS HB3 . . 3.020 2.318 2.273 2.377 . 0 0 "[ . 1 . 2]" 1
255 1 57 ALA HA 1 61 LEU H . . 3.950 3.971 3.917 4.008 0.058 13 0 "[ . 1 . 2]" 1
256 1 60 HIS HA 1 62 ASP H . . 4.550 4.276 3.979 4.587 0.037 13 0 "[ . 1 . 2]" 1
257 1 59 LYS HA 1 62 ASP H . . 3.860 3.701 3.434 3.935 0.075 13 0 "[ . 1 . 2]" 1
258 1 63 LYS H 1 63 LYS HA . . 2.810 2.872 2.835 2.895 0.085 10 0 "[ . 1 . 2]" 1
259 1 55 GLN H 1 55 GLN HB2 . . 3.020 2.574 2.488 2.706 . 0 0 "[ . 1 . 2]" 1
260 1 54 VAL MG2 1 56 LYS H . . 5.450 5.334 5.233 5.459 0.009 1 0 "[ . 1 . 2]" 1
261 1 54 VAL MG1 1 56 LYS H . . 5.500 4.977 4.831 5.134 . 0 0 "[ . 1 . 2]" 1
262 1 57 ALA H 1 57 ALA MB . . 2.800 2.257 2.226 2.287 . 0 0 "[ . 1 . 2]" 1
263 1 57 ALA H 1 61 LEU MD1 . . 5.400 5.221 4.973 5.409 0.009 12 0 "[ . 1 . 2]" 1
264 1 16 LEU MD1 1 57 ALA H . . 5.000 4.224 4.027 4.723 . 0 0 "[ . 1 . 2]" 1
265 1 54 VAL MG1 1 57 ALA H . . 5.180 4.630 4.536 4.717 . 0 0 "[ . 1 . 2]" 1
266 1 19 ILE MD 1 57 ALA H . . 5.440 5.345 5.133 5.457 0.017 15 0 "[ . 1 . 2]" 1
267 1 54 VAL MG2 1 57 ALA H . . 5.380 5.054 4.921 5.203 . 0 0 "[ . 1 . 2]" 1
268 1 54 VAL HA 1 58 MET H . . 4.410 3.873 3.566 4.155 . 0 0 "[ . 1 . 2]" 1
269 1 58 MET H 1 58 MET HG3 . . 2.950 2.432 2.231 2.534 . 0 0 "[ . 1 . 2]" 1
270 1 58 MET H 1 58 MET HG2 . . 3.460 3.413 3.250 3.464 0.004 16 0 "[ . 1 . 2]" 1
271 1 60 HIS H 1 60 HIS HB2 . . 2.960 2.644 2.435 2.756 . 0 0 "[ . 1 . 2]" 1
272 1 16 LEU MD1 1 60 HIS H . . 4.910 4.331 4.070 4.733 . 0 0 "[ . 1 . 2]" 1
273 1 16 LEU MD2 1 60 HIS H . . 4.690 4.196 3.919 4.608 . 0 0 "[ . 1 . 2]" 1
274 1 61 LEU H 1 61 LEU HG . . 2.950 2.392 2.244 2.545 . 0 0 "[ . 1 . 2]" 1
275 1 61 LEU H 1 61 LEU MD1 . . 3.760 3.587 3.515 3.675 . 0 0 "[ . 1 . 2]" 1
276 1 16 LEU MD1 1 61 LEU H . . 4.790 3.671 3.431 3.943 . 0 0 "[ . 1 . 2]" 1
277 1 64 LYS H 1 64 LYS HB3 . . 3.830 2.947 2.451 3.676 . 0 0 "[ . 1 . 2]" 1
278 1 63 LYS H 1 63 LYS HG2 . . 3.690 2.996 1.908 3.733 0.043 17 0 "[ . 1 . 2]" 1
279 1 16 LEU MD2 1 61 LEU H . . 4.650 4.548 4.305 4.682 0.032 20 0 "[ . 1 . 2]" 1
280 1 48 ASN HB2 1 48 ASN HD21 . . 3.390 2.692 2.369 2.857 . 0 0 "[ . 1 . 2]" 1
281 1 48 ASN HD21 1 51 GLU HG3 . . 4.780 4.390 4.203 4.787 0.007 14 0 "[ . 1 . 2]" 1
282 1 48 ASN HB3 1 48 ASN HD21 . . 3.550 3.535 3.476 3.562 0.012 18 0 "[ . 1 . 2]" 1
283 1 9 TYR HB3 1 48 ASN HD21 . . 5.130 4.722 4.526 4.834 . 0 0 "[ . 1 . 2]" 1
284 1 9 TYR HB2 1 48 ASN HD21 . . 5.120 5.190 5.136 5.244 0.124 9 0 "[ . 1 . 2]" 1
285 1 48 ASN HB2 1 48 ASN HD22 . . 4.010 3.657 3.506 3.728 . 0 0 "[ . 1 . 2]" 1
286 1 48 ASN HD22 1 51 GLU HG2 . . 4.580 4.697 4.652 4.736 0.156 16 0 "[ . 1 . 2]" 1
287 1 48 ASN HD22 1 51 GLU HG3 . . 5.140 4.331 4.170 4.574 . 0 0 "[ . 1 . 2]" 1
288 1 48 ASN HD22 1 50 ASN HB3 . . 4.730 3.497 3.423 3.616 . 0 0 "[ . 1 . 2]" 1
289 1 48 ASN H 1 48 ASN HD21 . . 4.690 4.580 4.406 4.771 0.081 4 0 "[ . 1 . 2]" 1
290 1 25 GLN HE22 1 30 CYS HA . . 5.500 5.561 5.530 5.608 0.108 15 0 "[ . 1 . 2]" 1
291 1 25 GLN HB3 1 25 GLN HE21 . . 3.860 3.911 3.884 3.941 0.081 13 0 "[ . 1 . 2]" 1
292 1 25 GLN HE21 1 25 GLN HG2 . . 3.250 2.184 2.151 2.268 . 0 0 "[ . 1 . 2]" 1
293 1 25 GLN HE21 1 30 CYS HB2 . . 3.560 2.531 2.394 2.766 . 0 0 "[ . 1 . 2]" 1
294 1 6 CYS HB2 1 25 GLN HE21 . . 4.300 4.363 4.312 4.413 0.113 15 0 "[ . 1 . 2]" 1
295 1 25 GLN HE21 1 32 ILE QG . . 3.510 2.457 2.280 2.583 . 0 0 "[ . 1 . 2]" 1
296 1 25 GLN HE21 1 32 ILE MG . . 4.400 4.511 4.487 4.568 0.168 13 0 "[ . 1 . 2]" 1
297 1 25 GLN HE21 1 32 ILE MD . . 4.640 4.034 3.878 4.168 . 0 0 "[ . 1 . 2]" 1
298 1 25 GLN HE22 1 30 CYS HB3 . . 4.050 3.188 3.143 3.263 . 0 0 "[ . 1 . 2]" 1
299 1 6 CYS HB2 1 25 GLN HE22 . . 3.810 2.889 2.785 2.943 . 0 0 "[ . 1 . 2]" 1
300 1 5 CYS HB3 1 25 GLN HE22 . . 3.800 3.460 3.003 3.811 0.011 15 0 "[ . 1 . 2]" 1
301 1 25 GLN HB3 1 25 GLN HE22 . . 4.350 4.377 4.356 4.399 0.049 8 0 "[ . 1 . 2]" 1
302 1 25 GLN HE22 1 32 ILE HB . . 5.080 4.904 4.708 5.044 . 0 0 "[ . 1 . 2]" 1
303 1 25 GLN HE21 1 32 ILE HB . . 4.840 4.512 4.315 4.614 . 0 0 "[ . 1 . 2]" 1
304 1 25 GLN HE22 1 32 ILE QG . . 3.640 2.299 2.165 2.398 . 0 0 "[ . 1 . 2]" 1
305 1 25 GLN HE22 1 36 ILE MD . . 4.730 4.633 4.404 4.757 0.027 9 0 "[ . 1 . 2]" 1
306 1 25 GLN HE22 1 32 ILE MG . . 4.530 4.527 4.407 4.580 0.050 9 0 "[ . 1 . 2]" 1
307 1 25 GLN HE22 1 32 ILE MD . . 4.560 3.280 3.057 3.464 . 0 0 "[ . 1 . 2]" 1
308 1 6 CYS H 1 25 GLN HE21 . . 3.820 3.487 3.305 3.620 . 0 0 "[ . 1 . 2]" 1
309 1 6 CYS H 1 25 GLN HE22 . . 3.310 2.182 2.016 2.362 . 0 0 "[ . 1 . 2]" 1
310 1 48 ASN HD22 1 50 ASN H . . 4.910 2.255 2.127 2.429 . 0 0 "[ . 1 . 2]" 1
311 1 53 TRP H 1 53 TRP HE1 . . 5.500 4.683 4.601 4.792 . 0 0 "[ . 1 . 2]" 1
312 1 13 PRO HD3 1 53 TRP HE1 . . 4.930 4.859 4.535 4.961 0.031 11 0 "[ . 1 . 2]" 1
313 1 48 ASN HB3 1 53 TRP HE1 . . 5.450 4.596 4.385 4.882 . 0 0 "[ . 1 . 2]" 1
314 1 51 GLU HG2 1 53 TRP HE1 . . 4.710 4.208 4.078 4.336 . 0 0 "[ . 1 . 2]" 1
315 1 13 PRO HA 1 53 TRP HE1 . . 4.270 3.582 3.427 3.762 . 0 0 "[ . 1 . 2]" 1
316 1 51 GLU HB2 1 53 TRP HE1 . . 3.920 3.160 3.003 3.296 . 0 0 "[ . 1 . 2]" 1
317 1 51 GLU HB3 1 53 TRP HE1 . . 4.070 2.944 2.809 3.132 . 0 0 "[ . 1 . 2]" 1
318 1 47 ALA MB 1 53 TRP HE1 . . 4.830 4.323 3.851 4.518 . 0 0 "[ . 1 . 2]" 1
319 1 13 PRO HB2 1 53 TRP HE1 . . 5.450 5.301 4.778 5.489 0.039 19 0 "[ . 1 . 2]" 1
320 1 13 PRO HB3 1 53 TRP HE1 . . 4.660 3.740 3.279 4.041 . 0 0 "[ . 1 . 2]" 1
321 1 51 GLU HB3 1 54 VAL H . . 4.160 3.398 3.269 3.491 . 0 0 "[ . 1 . 2]" 1
322 1 27 ASN H 1 27 ASN HD21 . . 4.850 3.723 2.265 4.504 . 0 0 "[ . 1 . 2]" 1
323 1 27 ASN H 1 27 ASN HD22 . . 5.320 4.523 3.201 5.492 0.172 3 0 "[ . 1 . 2]" 1
324 1 27 ASN HD21 1 33 LYS HA . . 4.770 4.661 4.114 4.939 0.169 14 0 "[ . 1 . 2]" 1
325 1 27 ASN HA 1 27 ASN HD21 . . 4.540 4.044 2.885 4.426 . 0 0 "[ . 1 . 2]" 1
326 1 27 ASN HA 1 27 ASN HD22 . . 5.080 4.796 3.800 5.265 0.185 16 0 "[ . 1 . 2]" 1
327 1 32 ILE H 1 34 ALA MB . . 5.500 4.953 4.684 5.202 . 0 0 "[ . 1 . 2]" 1
328 1 25 GLN HG2 1 32 ILE H . . 5.500 4.529 4.303 4.910 . 0 0 "[ . 1 . 2]" 1
329 1 50 ASN HB2 1 50 ASN HD22 . . 4.080 3.672 3.434 4.070 . 0 0 "[ . 1 . 2]" 1
330 1 55 GLN HA 1 55 GLN HE21 . . 4.450 4.424 4.338 4.470 0.020 18 0 "[ . 1 . 2]" 1
331 1 55 GLN HA 1 55 GLN HE22 . . 5.420 5.336 4.319 5.599 0.179 2 0 "[ . 1 . 2]" 1
332 1 50 ASN HA 1 55 GLN HE21 . . 3.390 2.689 2.483 3.239 . 0 0 "[ . 1 . 2]" 1
333 1 50 ASN HB3 1 55 GLN HE22 . . 5.180 4.876 4.525 5.229 0.049 4 0 "[ . 1 . 2]" 1
334 1 50 ASN HB3 1 55 GLN HE21 . . 4.900 4.925 4.741 4.972 0.072 18 0 "[ . 1 . 2]" 1
335 1 49 PRO HB2 1 55 GLN HE22 . . 5.120 5.079 4.255 5.217 0.097 6 0 "[ . 1 . 2]" 1
336 1 55 GLN HE21 1 58 MET ME . . 4.570 3.902 3.502 4.589 0.019 13 0 "[ . 1 . 2]" 1
337 1 16 LEU HA 1 16 LEU MD1 . . 4.060 2.179 2.106 2.281 . 0 0 "[ . 1 . 2]" 1
338 1 16 LEU HA 1 16 LEU MD2 . . 4.270 3.826 3.786 3.862 . 0 0 "[ . 1 . 2]" 1
339 1 18 ARG HA 1 18 ARG HD2 . . 4.910 4.050 2.126 4.913 0.003 15 0 "[ . 1 . 2]" 1
340 1 24 ILE HA 1 24 ILE MD . . 4.490 3.844 3.822 3.880 . 0 0 "[ . 1 . 2]" 1
341 1 24 ILE HB 1 24 ILE MD . . 3.620 2.450 2.427 2.470 . 0 0 "[ . 1 . 2]" 1
342 1 24 ILE MD 1 24 ILE MG . . 3.280 1.940 1.911 1.964 . 0 0 "[ . 1 . 2]" 1
343 1 35 ILE HA 1 35 ILE MD . . 3.680 2.078 1.949 2.157 . 0 0 "[ . 1 . 2]" 1
344 1 24 ILE HA 1 35 ILE QG . . 5.290 4.165 4.040 4.388 . 0 0 "[ . 1 . 2]" 1
345 1 35 ILE MD 1 35 ILE MG . . 3.470 2.026 1.975 2.068 . 0 0 "[ . 1 . 2]" 1
346 1 38 THR HA 1 38 THR MG . . 3.740 2.293 2.255 2.355 . 0 0 "[ . 1 . 2]" 1
347 1 41 LYS HA 1 41 LYS HG2 . . 4.010 3.514 2.549 3.902 . 0 0 "[ . 1 . 2]" 1
348 1 41 LYS HB3 1 41 LYS HG2 . . 2.710 2.512 2.372 2.923 0.213 4 0 "[ . 1 . 2]" 1
349 1 10 THR HB 1 45 ILE MG . . 3.420 2.475 2.194 2.821 . 0 0 "[ . 1 . 2]" 1
350 1 45 ILE HG12 1 45 ILE MG . . 3.730 2.231 2.211 2.252 . 0 0 "[ . 1 . 2]" 1
351 1 45 ILE MD 1 45 ILE MG . . 3.470 3.221 3.206 3.232 . 0 0 "[ . 1 . 2]" 1
352 1 45 ILE HA 1 45 ILE MD . . 4.010 3.218 3.150 3.284 . 0 0 "[ . 1 . 2]" 1
353 1 39 THR MG 1 45 ILE MD . . 3.740 1.842 1.786 1.937 . 0 0 "[ . 1 . 2]" 1
354 1 51 GLU HA 1 51 GLU HG3 . . 4.220 3.326 3.246 3.478 . 0 0 "[ . 1 . 2]" 1
355 1 40 LYS HA 1 40 LYS HD3 . . 5.500 4.032 3.938 4.142 . 0 0 "[ . 1 . 2]" 1
356 1 58 MET HA 1 58 MET HG3 . . 4.180 3.084 3.007 3.147 . 0 0 "[ . 1 . 2]" 1
357 1 58 MET HA 1 58 MET HG2 . . 4.020 2.391 2.307 2.528 . 0 0 "[ . 1 . 2]" 1
358 1 61 LEU HA 1 61 LEU MD2 . . 3.500 2.058 1.991 2.134 . 0 0 "[ . 1 . 2]" 1
359 1 63 LYS HA 1 63 LYS HG3 . . 4.210 3.586 2.938 4.269 0.059 13 0 "[ . 1 . 2]" 1
360 1 40 LYS HA 1 40 LYS HG2 . . 3.630 2.697 2.616 2.841 . 0 0 "[ . 1 . 2]" 1
361 1 16 LEU MD1 1 19 ILE HB . . 4.770 2.339 2.019 2.839 . 0 0 "[ . 1 . 2]" 1
362 1 61 LEU HA 1 61 LEU MD1 . . 4.610 3.865 3.844 3.905 . 0 0 "[ . 1 . 2]" 1
363 1 18 ARG HA 1 18 ARG HD3 . . 4.910 3.944 2.077 4.685 . 0 0 "[ . 1 . 2]" 1
364 1 8 LYS HB3 1 9 TYR H . . 5.300 3.155 2.393 3.951 . 0 0 "[ . 1 . 2]" 1
365 1 8 LYS H 1 8 LYS HB2 . . 3.650 3.136 2.597 3.760 0.110 6 0 "[ . 1 . 2]" 1
366 1 36 ILE MG 1 44 LYS HB2 . . 4.710 3.593 3.358 4.172 . 0 0 "[ . 1 . 2]" 1
367 1 44 LYS HB3 1 45 ILE H . . 4.960 3.495 3.316 3.647 . 0 0 "[ . 1 . 2]" 1
368 1 44 LYS HB2 1 45 ILE H . . 5.340 4.298 4.207 4.410 . 0 0 "[ . 1 . 2]" 1
369 1 17 LYS HB2 1 18 ARG H . . 5.270 3.389 3.226 3.500 . 0 0 "[ . 1 . 2]" 1
370 1 17 LYS H 1 17 LYS HB2 . . 3.250 2.505 2.452 2.651 . 0 0 "[ . 1 . 2]" 1
371 1 20 LYS HB3 1 40 LYS HA . . 4.250 4.397 4.348 4.438 0.188 10 0 "[ . 1 . 2]" 1
372 1 20 LYS HB3 1 21 SER H . . 5.010 3.700 3.618 3.795 . 0 0 "[ . 1 . 2]" 1
373 1 20 LYS HB2 1 21 SER H . . 4.360 2.623 2.524 2.725 . 0 0 "[ . 1 . 2]" 1
374 1 20 LYS HB2 1 20 LYS HG2 . . 2.910 2.347 2.313 2.372 . 0 0 "[ . 1 . 2]" 1
375 1 20 LYS HG2 1 40 LYS HA . . 4.990 1.985 1.924 2.048 . 0 0 "[ . 1 . 2]" 1
376 1 20 LYS HA 1 20 LYS HD2 . . 5.210 2.094 2.009 2.190 . 0 0 "[ . 1 . 2]" 1
377 1 18 ARG HA 1 20 LYS HD2 . . 5.010 5.079 5.042 5.134 0.124 8 0 "[ . 1 . 2]" 1
378 1 33 LYS HG2 1 34 ALA H . . 5.500 3.530 3.278 3.698 . 0 0 "[ . 1 . 2]" 1
379 1 20 LYS HD2 1 40 LYS HA . . 4.290 3.264 3.083 3.540 . 0 0 "[ . 1 . 2]" 1
380 1 35 ILE QG 1 49 PRO HB3 . . 4.200 1.995 1.859 2.451 . 0 0 "[ . 1 . 2]" 1
381 1 20 LYS HD2 1 40 LYS HG2 . . 3.690 1.937 1.864 2.030 . 0 0 "[ . 1 . 2]" 1
382 1 18 ARG HA 1 40 LYS HG2 . . 5.170 3.612 3.497 3.689 . 0 0 "[ . 1 . 2]" 1
383 1 20 LYS HA 1 40 LYS HG2 . . 5.100 3.837 3.632 4.024 . 0 0 "[ . 1 . 2]" 1
384 1 18 ARG HA 1 40 LYS HB2 . . 5.500 4.353 4.015 4.867 . 0 0 "[ . 1 . 2]" 1
385 1 18 ARG HA 1 40 LYS HD3 . . 5.130 4.479 4.169 4.751 . 0 0 "[ . 1 . 2]" 1
386 1 20 LYS HA 1 40 LYS HD3 . . 5.500 5.535 5.449 5.578 0.078 20 0 "[ . 1 . 2]" 1
387 1 40 LYS H 1 40 LYS HG2 . . 3.120 2.716 2.592 2.835 . 0 0 "[ . 1 . 2]" 1
388 1 40 LYS HA 1 42 GLY HA2 . . 5.220 4.513 4.463 4.566 . 0 0 "[ . 1 . 2]" 1
389 1 41 LYS HB3 1 41 LYS HG3 . . 2.760 2.511 2.392 2.931 0.171 10 0 "[ . 1 . 2]" 1
390 1 44 LYS HA 1 44 LYS HD3 . . 5.040 2.068 1.951 2.212 . 0 0 "[ . 1 . 2]" 1
391 1 36 ILE MG 1 44 LYS HB3 . . 4.260 2.183 1.903 2.744 . 0 0 "[ . 1 . 2]" 1
392 1 43 ARG HA 1 44 LYS HG2 . . 5.500 3.720 3.438 4.008 . 0 0 "[ . 1 . 2]" 1
393 1 44 LYS HA 1 45 ILE H . . 3.490 2.107 2.037 2.176 . 0 0 "[ . 1 . 2]" 1
394 1 37 PHE HE1 1 47 ALA MB . . 4.570 3.036 2.718 3.397 . 0 0 "[ . 1 . 2]" 1
395 1 47 ALA MB 1 54 VAL MG2 . . 3.450 2.036 1.919 2.220 . 0 0 "[ . 1 . 2]" 1
396 1 44 LYS HD3 1 44 LYS HG2 . . 2.670 2.452 2.416 2.483 . 0 0 "[ . 1 . 2]" 1
397 1 44 LYS HA 1 44 LYS HD2 . . 4.990 2.982 2.828 3.081 . 0 0 "[ . 1 . 2]" 1
398 1 52 LYS HA 1 55 GLN HG3 . . 5.500 2.897 2.402 3.458 . 0 0 "[ . 1 . 2]" 1
399 1 52 LYS HA 1 55 GLN HG2 . . 5.500 4.067 2.080 4.933 . 0 0 "[ . 1 . 2]" 1
400 1 52 LYS HA 1 56 LYS H . . 5.380 4.118 3.885 4.566 . 0 0 "[ . 1 . 2]" 1
401 1 53 TRP HA 1 56 LYS HB2 . . 3.960 3.133 2.707 3.428 . 0 0 "[ . 1 . 2]" 1
402 1 56 LYS HB2 1 57 ALA H . . 3.950 3.263 2.377 3.838 . 0 0 "[ . 1 . 2]" 1
403 1 56 LYS H 1 56 LYS HB2 . . 2.800 2.463 2.258 2.552 . 0 0 "[ . 1 . 2]" 1
404 1 63 LYS H 1 63 LYS HB3 . . 4.170 3.475 2.895 3.697 . 0 0 "[ . 1 . 2]" 1
405 1 64 LYS H 1 64 LYS HB2 . . 3.830 3.175 2.325 3.861 0.031 17 0 "[ . 1 . 2]" 1
406 1 15 PRO HA 1 16 LEU H . . 3.470 2.163 2.122 2.215 . 0 0 "[ . 1 . 2]" 1
407 1 15 PRO HB3 1 18 ARG H . . 4.860 4.687 4.520 4.873 0.013 4 0 "[ . 1 . 2]" 1
408 1 15 PRO HB3 1 17 LYS H . . 5.470 3.789 3.538 4.142 . 0 0 "[ . 1 . 2]" 1
409 1 15 PRO HB2 1 17 LYS H . . 4.550 3.279 2.928 3.576 . 0 0 "[ . 1 . 2]" 1
410 1 14 LEU HA 1 15 PRO HD3 . . 3.350 2.031 1.974 2.150 . 0 0 "[ . 1 . 2]" 1
411 1 16 LEU HA 1 18 ARG H . . 5.140 3.360 3.208 3.638 . 0 0 "[ . 1 . 2]" 1
412 1 14 LEU HB2 1 15 PRO HD3 . . 5.500 4.512 4.356 4.793 . 0 0 "[ . 1 . 2]" 1
413 1 14 LEU MD1 1 15 PRO HD3 . . 5.320 3.997 2.473 5.335 0.015 6 0 "[ . 1 . 2]" 1
414 1 16 LEU HA 1 19 ILE MD . . 3.930 1.810 1.772 1.848 . 0 0 "[ . 1 . 2]" 1
415 1 16 LEU HA 1 19 ILE HG13 . . 4.790 2.542 2.329 3.001 . 0 0 "[ . 1 . 2]" 1
416 1 16 LEU HB2 1 19 ILE MD . . 5.500 3.129 2.949 3.440 . 0 0 "[ . 1 . 2]" 1
417 1 10 THR MG 1 13 PRO HA . . 4.820 3.538 3.304 3.771 . 0 0 "[ . 1 . 2]" 1
418 1 13 PRO HA 1 53 TRP HZ2 . . 4.060 2.825 2.599 3.068 . 0 0 "[ . 1 . 2]" 1
419 1 12 ARG HA 1 13 PRO HD3 . . 3.570 2.195 1.933 2.409 . 0 0 "[ . 1 . 2]" 1
420 1 12 ARG HA 1 13 PRO HD2 . . 3.380 2.296 2.043 2.675 . 0 0 "[ . 1 . 2]" 1
421 1 35 ILE MD 1 49 PRO HA . . 4.670 4.543 4.221 4.716 0.046 20 0 "[ . 1 . 2]" 1
422 1 47 ALA MB 1 49 PRO HA . . 5.500 4.593 4.471 4.737 . 0 0 "[ . 1 . 2]" 1
423 1 35 ILE QG 1 49 PRO HB2 . . 4.740 3.496 3.352 3.846 . 0 0 "[ . 1 . 2]" 1
424 1 35 ILE MD 1 49 PRO HB2 . . 5.150 4.298 4.104 4.551 . 0 0 "[ . 1 . 2]" 1
425 1 35 ILE MD 1 49 PRO HB3 . . 4.280 3.069 2.840 3.260 . 0 0 "[ . 1 . 2]" 1
426 1 35 ILE QG 1 49 PRO HG3 . . 4.820 2.624 1.853 2.895 . 0 0 "[ . 1 . 2]" 1
427 1 35 ILE MD 1 49 PRO HG3 . . 5.160 3.604 3.093 3.755 . 0 0 "[ . 1 . 2]" 1
428 1 34 ALA HA 1 49 PRO HG3 . . 5.500 3.108 2.577 3.338 . 0 0 "[ . 1 . 2]" 1
429 1 34 ALA HA 1 49 PRO HG2 . . 4.840 4.069 3.091 4.388 . 0 0 "[ . 1 . 2]" 1
430 1 35 ILE MD 1 49 PRO HD2 . . 5.500 5.535 5.507 5.589 0.089 12 0 "[ . 1 . 2]" 1
431 1 34 ALA HA 1 49 PRO HD2 . . 4.580 2.922 2.703 3.348 . 0 0 "[ . 1 . 2]" 1
432 1 48 ASN HA 1 49 PRO HD3 . . 3.730 2.416 1.946 2.590 . 0 0 "[ . 1 . 2]" 1
433 1 49 PRO HD2 1 50 ASN H . . 4.930 2.949 2.787 3.078 . 0 0 "[ . 1 . 2]" 1
434 1 35 ILE H 1 49 PRO HD2 . . 4.990 3.683 3.393 4.166 . 0 0 "[ . 1 . 2]" 1
435 1 35 ILE H 1 49 PRO HG2 . . 5.470 4.373 3.555 4.609 . 0 0 "[ . 1 . 2]" 1
436 1 49 PRO HA 1 54 VAL MG2 . . 5.390 3.484 3.312 3.681 . 0 0 "[ . 1 . 2]" 1
437 1 38 THR MG 1 42 GLY HA3 . . 4.440 3.336 3.190 3.402 . 0 0 "[ . 1 . 2]" 1
438 1 38 THR MG 1 42 GLY HA2 . . 3.940 2.020 1.909 2.086 . 0 0 "[ . 1 . 2]" 1
439 1 12 ARG HB2 1 13 PRO HD3 . . 4.800 4.483 3.709 4.838 0.038 6 0 "[ . 1 . 2]" 1
440 1 12 ARG HB3 1 13 PRO HD3 . . 5.080 4.855 4.255 5.096 0.016 6 0 "[ . 1 . 2]" 1
441 1 18 ARG HB3 1 39 THR MG . . 4.990 3.283 2.808 3.749 . 0 0 "[ . 1 . 2]" 1
442 1 18 ARG HB3 1 39 THR HB . . 5.390 3.886 3.256 4.619 . 0 0 "[ . 1 . 2]" 1
443 1 9 TYR HD1 1 46 CYS HB3 . . 5.290 4.579 4.351 4.746 . 0 0 "[ . 1 . 2]" 1
444 1 19 ILE MG 1 39 THR HA . . 5.180 3.294 3.059 3.485 . 0 0 "[ . 1 . 2]" 1
445 1 19 ILE MG 1 20 LYS HA . . 5.500 4.017 3.889 4.164 . 0 0 "[ . 1 . 2]" 1
446 1 19 ILE MG 1 22 TYR HD1 . . 4.290 4.146 3.914 4.315 0.025 13 0 "[ . 1 . 2]" 1
447 1 19 ILE H 1 19 ILE MG . . 3.880 3.863 3.819 3.883 0.003 14 0 "[ . 1 . 2]" 1
448 1 19 ILE MG 1 38 THR H . . 3.660 2.676 2.534 2.819 . 0 0 "[ . 1 . 2]" 1
449 1 19 ILE MG 1 20 LYS H . . 4.050 2.577 2.477 2.823 . 0 0 "[ . 1 . 2]" 1
450 1 43 ARG HA 1 44 LYS H . . 3.470 2.336 2.273 2.464 . 0 0 "[ . 1 . 2]" 1
451 1 14 LEU MD2 1 19 ILE HG12 . . 4.910 2.753 1.909 4.292 . 0 0 "[ . 1 . 2]" 1
452 1 19 ILE HG12 1 39 THR MG . . 5.190 3.071 2.769 3.318 . 0 0 "[ . 1 . 2]" 1
453 1 19 ILE HG12 1 45 ILE HG12 . . 5.430 5.471 5.438 5.513 0.083 16 0 "[ . 1 . 2]" 1
454 1 16 LEU HA 1 19 ILE HB . . 5.100 3.010 2.647 3.417 . 0 0 "[ . 1 . 2]" 1
455 1 19 ILE MG 1 37 PHE HB3 . . 4.210 2.705 2.658 2.767 . 0 0 "[ . 1 . 2]" 1
456 1 19 ILE MG 1 37 PHE HB2 . . 4.700 4.163 4.124 4.208 . 0 0 "[ . 1 . 2]" 1
457 1 19 ILE MD 1 19 ILE MG . . 3.200 1.918 1.857 2.008 . 0 0 "[ . 1 . 2]" 1
458 1 6 CYS HB3 1 32 ILE MD . . 4.960 3.650 3.350 3.865 . 0 0 "[ . 1 . 2]" 1
459 1 6 CYS HB2 1 32 ILE MD . . 5.050 3.566 3.299 3.795 . 0 0 "[ . 1 . 2]" 1
460 1 8 LYS HA 1 32 ILE MD . . 4.800 3.358 2.930 3.810 . 0 0 "[ . 1 . 2]" 1
461 1 19 ILE HG13 1 39 THR MG . . 5.190 3.798 3.577 3.999 . 0 0 "[ . 1 . 2]" 1
462 1 20 LYS HB2 1 40 LYS HA . . 4.840 4.064 3.912 4.182 . 0 0 "[ . 1 . 2]" 1
463 1 20 LYS HB2 1 38 THR HB . . 4.740 3.323 3.051 3.592 . 0 0 "[ . 1 . 2]" 1
464 1 16 LEU HG 1 19 ILE HB . . 5.390 4.230 3.936 4.529 . 0 0 "[ . 1 . 2]" 1
465 1 19 ILE HB 1 19 ILE MD . . 3.600 2.366 2.313 2.402 . 0 0 "[ . 1 . 2]" 1
466 1 19 ILE H 1 19 ILE HB . . 3.820 2.647 2.594 2.689 . 0 0 "[ . 1 . 2]" 1
467 1 19 ILE MD 1 53 TRP HZ3 . . 4.720 2.537 2.185 2.779 . 0 0 "[ . 1 . 2]" 1
468 1 9 TYR HE1 1 32 ILE MD . . 4.410 3.132 2.935 3.525 . 0 0 "[ . 1 . 2]" 1
469 1 19 ILE H 1 19 ILE MD . . 5.130 3.785 3.671 3.878 . 0 0 "[ . 1 . 2]" 1
470 1 47 ALA MB 1 53 TRP HH2 . . 3.750 2.680 2.506 2.930 . 0 0 "[ . 1 . 2]" 1
471 1 47 ALA MB 1 53 TRP HZ2 . . 3.790 2.684 2.417 2.793 . 0 0 "[ . 1 . 2]" 1
472 1 47 ALA MB 1 48 ASN H . . 3.850 2.743 2.645 2.889 . 0 0 "[ . 1 . 2]" 1
473 1 24 ILE HA 1 35 ILE MD . . 3.460 2.077 1.969 2.264 . 0 0 "[ . 1 . 2]" 1
474 1 24 ILE HA 1 25 GLN HB3 . . 5.200 4.457 4.365 4.584 . 0 0 "[ . 1 . 2]" 1
475 1 34 ALA MB 1 48 ASN HB2 . . 5.500 5.096 4.865 5.282 . 0 0 "[ . 1 . 2]" 1
476 1 10 THR MG 1 48 ASN HB2 . . 5.340 5.295 5.145 5.409 0.069 8 0 "[ . 1 . 2]" 1
477 1 24 ILE MG 1 26 SER HB3 . . 4.940 4.013 3.161 4.835 . 0 0 "[ . 1 . 2]" 1
478 1 24 ILE HG12 1 35 ILE MD . . 4.680 2.443 2.079 3.048 . 0 0 "[ . 1 . 2]" 1
479 1 24 ILE HB 1 35 ILE MD . . 5.500 4.220 3.992 4.590 . 0 0 "[ . 1 . 2]" 1
480 1 24 ILE H 1 24 ILE HG12 . . 3.720 3.582 3.490 3.681 . 0 0 "[ . 1 . 2]" 1
481 1 24 ILE H 1 24 ILE MD . . 5.110 3.746 3.652 3.842 . 0 0 "[ . 1 . 2]" 1
482 1 6 CYS HB3 1 32 ILE QG . . 5.500 4.654 4.411 4.872 . 0 0 "[ . 1 . 2]" 1
483 1 7 LEU HA 1 32 ILE QG . . 5.500 2.642 2.321 3.003 . 0 0 "[ . 1 . 2]" 1
484 1 32 ILE HA 1 33 LYS H . . 3.500 2.516 2.432 2.566 . 0 0 "[ . 1 . 2]" 1
485 1 32 ILE H 1 32 ILE HB . . 3.980 3.849 3.791 3.902 . 0 0 "[ . 1 . 2]" 1
486 1 32 ILE H 1 32 ILE MG . . 3.580 2.814 2.610 2.981 . 0 0 "[ . 1 . 2]" 1
487 1 32 ILE H 1 32 ILE QG . . 3.170 2.239 2.129 2.351 . 0 0 "[ . 1 . 2]" 1
488 1 32 ILE QG 1 33 LYS H . . 5.500 3.186 3.114 3.309 . 0 0 "[ . 1 . 2]" 1
489 1 32 ILE MD 1 32 ILE MG . . 3.340 1.915 1.866 1.946 . 0 0 "[ . 1 . 2]" 1
490 1 14 LEU HB3 1 19 ILE MD . . 4.370 2.589 2.126 2.941 . 0 0 "[ . 1 . 2]" 1
491 1 35 ILE HA 1 49 PRO HG3 . . 5.220 4.989 4.073 5.231 0.011 14 0 "[ . 1 . 2]" 1
492 1 35 ILE MG 1 54 VAL MG1 . . 3.990 3.037 2.835 3.270 . 0 0 "[ . 1 . 2]" 1
493 1 35 ILE MG 1 58 MET ME . . 4.960 3.593 2.156 4.039 . 0 0 "[ . 1 . 2]" 1
494 1 35 ILE MG 1 58 MET HG3 . . 4.740 3.431 3.130 4.289 . 0 0 "[ . 1 . 2]" 1
495 1 22 TYR HB2 1 35 ILE MG . . 4.000 1.958 1.890 2.058 . 0 0 "[ . 1 . 2]" 1
496 1 22 TYR HB3 1 35 ILE MG . . 4.550 2.904 2.828 3.030 . 0 0 "[ . 1 . 2]" 1
497 1 35 ILE H 1 35 ILE HB . . 4.080 2.511 2.427 2.591 . 0 0 "[ . 1 . 2]" 1
498 1 35 ILE HB 1 37 PHE HE1 . . 5.500 2.574 2.209 3.140 . 0 0 "[ . 1 . 2]" 1
499 1 22 TYR HD1 1 35 ILE MG . . 3.920 3.721 3.661 3.794 . 0 0 "[ . 1 . 2]" 1
500 1 35 ILE MG 1 36 ILE H . . 4.070 2.673 2.598 2.786 . 0 0 "[ . 1 . 2]" 1
501 1 22 TYR HA 1 35 ILE MG . . 5.300 3.889 3.779 4.007 . 0 0 "[ . 1 . 2]" 1
502 1 35 ILE HA 1 37 PHE HE1 . . 5.500 5.003 4.809 5.363 . 0 0 "[ . 1 . 2]" 1
503 1 9 TYR HE1 1 34 ALA MB . . 3.210 2.536 2.419 2.639 . 0 0 "[ . 1 . 2]" 1
504 1 35 ILE QG 1 54 VAL MG2 . . 5.500 4.728 4.490 5.130 . 0 0 "[ . 1 . 2]" 1
505 1 24 ILE MG 1 35 ILE QG . . 4.670 4.215 3.968 4.679 0.009 19 0 "[ . 1 . 2]" 1
506 1 24 ILE MG 1 35 ILE MD . . 3.340 2.409 2.177 2.847 . 0 0 "[ . 1 . 2]" 1
507 1 35 ILE QG 1 49 PRO HG2 . . 4.550 3.981 3.399 4.164 . 0 0 "[ . 1 . 2]" 1
508 1 35 ILE QG 1 49 PRO HA . . 3.880 3.009 2.755 3.168 . 0 0 "[ . 1 . 2]" 1
509 1 35 ILE QG 1 49 PRO HD3 . . 5.260 2.958 2.781 3.734 . 0 0 "[ . 1 . 2]" 1
510 1 24 ILE HG13 1 35 ILE MD . . 4.680 3.656 3.392 4.156 . 0 0 "[ . 1 . 2]" 1
511 1 25 GLN HB3 1 35 ILE MD . . 4.300 3.853 3.362 4.065 . 0 0 "[ . 1 . 2]" 1
512 1 35 ILE H 1 35 ILE MD . . 4.100 3.260 3.119 3.443 . 0 0 "[ . 1 . 2]" 1
513 1 23 THR HB 1 36 ILE HB . . 4.970 2.079 1.833 4.367 . 0 0 "[ . 1 . 2]" 1
514 1 36 ILE MG 1 44 LYS HA . . 4.380 2.816 2.511 3.114 . 0 0 "[ . 1 . 2]" 1
515 1 36 ILE MG 1 44 LYS HD3 . . 3.930 2.977 2.685 3.185 . 0 0 "[ . 1 . 2]" 1
516 1 36 ILE MG 1 44 LYS HD2 . . 3.620 2.114 1.916 2.314 . 0 0 "[ . 1 . 2]" 1
517 1 36 ILE HG12 1 36 ILE MG . . 3.730 2.137 2.104 2.220 . 0 0 "[ . 1 . 2]" 1
518 1 36 ILE HG12 1 44 LYS HD2 . . 4.790 4.506 3.989 4.842 0.052 3 0 "[ . 1 . 2]" 1
519 1 25 GLN HB3 1 36 ILE HG12 . . 5.280 5.203 4.390 5.339 0.059 9 0 "[ . 1 . 2]" 1
520 1 36 ILE MD 1 36 ILE MG . . 2.990 2.988 2.180 3.130 0.140 19 0 "[ . 1 . 2]" 1
521 1 23 THR MG 1 36 ILE MD . . 3.290 2.559 2.066 2.779 . 0 0 "[ . 1 . 2]" 1
522 1 6 CYS HB3 1 36 ILE MD . . 5.140 5.069 4.878 5.153 0.013 7 0 "[ . 1 . 2]" 1
523 1 6 CYS HB2 1 36 ILE MD . . 5.230 3.840 3.658 3.982 . 0 0 "[ . 1 . 2]" 1
524 1 36 ILE HA 1 36 ILE MD . . 4.560 3.361 3.239 3.858 . 0 0 "[ . 1 . 2]" 1
525 1 25 GLN HA 1 36 ILE MD . . 5.500 3.590 3.347 3.754 . 0 0 "[ . 1 . 2]" 1
526 1 24 ILE HA 1 36 ILE MD . . 5.500 4.151 3.923 4.634 . 0 0 "[ . 1 . 2]" 1
527 1 23 THR H 1 36 ILE HB . . 3.700 2.919 2.651 3.166 . 0 0 "[ . 1 . 2]" 1
528 1 36 ILE H 1 36 ILE HB . . 3.120 2.628 2.362 2.729 . 0 0 "[ . 1 . 2]" 1
529 1 36 ILE MG 1 45 ILE H . . 4.540 2.797 2.393 3.247 . 0 0 "[ . 1 . 2]" 1
530 1 36 ILE MG 1 37 PHE H . . 4.380 2.994 2.926 3.121 . 0 0 "[ . 1 . 2]" 1
531 1 36 ILE H 1 36 ILE HG12 . . 4.610 4.111 3.743 4.228 . 0 0 "[ . 1 . 2]" 1
532 1 36 ILE H 1 36 ILE MD . . 5.010 2.182 1.920 3.269 . 0 0 "[ . 1 . 2]" 1
533 1 25 GLN H 1 36 ILE MD . . 3.220 3.117 2.979 3.357 0.137 3 0 "[ . 1 . 2]" 1
534 1 37 PHE HA 1 45 ILE HB . . 5.240 4.518 4.331 4.675 . 0 0 "[ . 1 . 2]" 1
535 1 45 ILE H 1 45 ILE HG12 . . 4.860 4.282 4.188 4.438 . 0 0 "[ . 1 . 2]" 1
536 1 37 PHE HB2 1 45 ILE HG13 . . 5.500 4.922 4.832 5.005 . 0 0 "[ . 1 . 2]" 1
537 1 45 ILE HG13 1 45 ILE MG . . 3.550 2.555 2.516 2.584 . 0 0 "[ . 1 . 2]" 1
538 1 45 ILE H 1 45 ILE HG13 . . 5.000 3.719 3.588 3.840 . 0 0 "[ . 1 . 2]" 1
539 1 19 ILE HG12 1 45 ILE MD . . 4.800 4.376 4.193 4.668 . 0 0 "[ . 1 . 2]" 1
540 1 14 LEU MD1 1 45 ILE MD . . 3.130 2.639 1.896 3.197 0.067 3 0 "[ . 1 . 2]" 1
541 1 7 LEU HA 1 32 ILE MD . . 4.590 2.505 2.196 3.119 . 0 0 "[ . 1 . 2]" 1
542 1 14 LEU HA 1 15 PRO HD2 . . 3.770 2.813 2.655 3.004 . 0 0 "[ . 1 . 2]" 1
543 1 14 LEU HB3 1 19 ILE HG13 . . 5.500 3.905 3.149 4.362 . 0 0 "[ . 1 . 2]" 1
544 1 14 LEU HB3 1 15 PRO HD2 . . 5.190 3.896 2.518 4.630 . 0 0 "[ . 1 . 2]" 1
545 1 14 LEU HB3 1 15 PRO HD3 . . 5.500 4.209 3.174 4.735 . 0 0 "[ . 1 . 2]" 1
546 1 14 LEU HB2 1 19 ILE HG13 . . 5.500 4.949 3.749 5.566 0.066 2 0 "[ . 1 . 2]" 1
547 1 14 LEU HB2 1 15 PRO HD2 . . 5.190 4.516 4.034 4.996 . 0 0 "[ . 1 . 2]" 1
548 1 14 LEU HB2 1 19 ILE MD . . 4.370 3.315 1.986 4.208 . 0 0 "[ . 1 . 2]" 1
549 1 14 LEU HB2 1 19 ILE HG12 . . 5.220 4.327 3.364 4.872 . 0 0 "[ . 1 . 2]" 1
550 1 14 LEU HB3 1 19 ILE HG12 . . 5.220 3.516 2.952 3.828 . 0 0 "[ . 1 . 2]" 1
551 1 14 LEU MD1 1 39 THR MG . . 3.740 2.126 1.870 2.313 . 0 0 "[ . 1 . 2]" 1
552 1 14 LEU MD1 1 19 ILE HG12 . . 4.910 2.947 2.053 3.939 . 0 0 "[ . 1 . 2]" 1
553 1 14 LEU MD2 1 45 ILE MD . . 3.130 2.799 2.109 3.320 0.190 6 0 "[ . 1 . 2]" 1
554 1 14 LEU MD2 1 39 THR MG . . 3.740 2.072 1.813 2.641 . 0 0 "[ . 1 . 2]" 1
555 1 14 LEU HB2 1 53 TRP HZ3 . . 4.980 2.983 2.032 4.067 . 0 0 "[ . 1 . 2]" 1
556 1 14 LEU HB2 1 53 TRP HH2 . . 5.470 2.935 2.342 3.424 . 0 0 "[ . 1 . 2]" 1
557 1 14 LEU HB3 1 53 TRP HZ3 . . 4.980 2.764 2.066 3.875 . 0 0 "[ . 1 . 2]" 1
558 1 14 LEU HB3 1 53 TRP HH2 . . 5.470 3.492 2.362 4.883 . 0 0 "[ . 1 . 2]" 1
559 1 14 LEU MD1 1 15 PRO HD2 . . 5.210 3.441 2.055 4.706 . 0 0 "[ . 1 . 2]" 1
560 1 14 LEU MD2 1 15 PRO HD2 . . 5.210 3.456 1.827 4.424 . 0 0 "[ . 1 . 2]" 1
561 1 14 LEU MD2 1 15 PRO HD3 . . 5.320 4.006 2.960 5.153 . 0 0 "[ . 1 . 2]" 1
562 1 15 PRO HA 1 16 LEU HB2 . . 5.500 4.585 4.461 4.730 . 0 0 "[ . 1 . 2]" 1
563 1 16 LEU HB3 1 19 ILE MD . . 5.500 4.245 4.135 4.405 . 0 0 "[ . 1 . 2]" 1
564 1 15 PRO HA 1 16 LEU HB3 . . 5.500 4.535 4.449 4.635 . 0 0 "[ . 1 . 2]" 1
565 1 16 LEU MD1 1 57 ALA MB . . 3.920 2.059 1.995 2.327 . 0 0 "[ . 1 . 2]" 1
566 1 16 LEU H 1 16 LEU HG . . 4.480 4.390 4.336 4.427 . 0 0 "[ . 1 . 2]" 1
567 1 16 LEU MD2 1 57 ALA HA . . 3.930 2.610 2.282 3.051 . 0 0 "[ . 1 . 2]" 1
568 1 16 LEU MD1 1 60 HIS HA . . 5.500 5.143 4.860 5.509 0.009 5 0 "[ . 1 . 2]" 1
569 1 16 LEU MD1 1 60 HIS HD2 . . 4.320 1.958 1.893 2.114 . 0 0 "[ . 1 . 2]" 1
570 1 16 LEU MD1 1 60 HIS HB2 . . 4.660 3.999 3.672 4.390 . 0 0 "[ . 1 . 2]" 1
571 1 16 LEU MD1 1 19 ILE MD . . 3.700 2.187 2.012 2.529 . 0 0 "[ . 1 . 2]" 1
572 1 58 MET HA 1 61 LEU HB3 . . 5.290 4.230 4.038 4.465 . 0 0 "[ . 1 . 2]" 1
573 1 58 MET HA 1 61 LEU HB2 . . 4.300 2.554 2.366 2.776 . 0 0 "[ . 1 . 2]" 1
574 1 16 LEU MD1 1 61 LEU HG . . 5.320 2.326 2.197 2.523 . 0 0 "[ . 1 . 2]" 1
575 1 57 ALA MB 1 61 LEU HG . . 4.550 3.121 2.885 3.352 . 0 0 "[ . 1 . 2]" 1
576 1 19 ILE MD 1 61 LEU MD2 . . 4.450 3.669 3.335 4.306 . 0 0 "[ . 1 . 2]" 1
577 1 61 LEU HB2 1 61 LEU MD1 . . 3.430 2.315 2.268 2.373 . 0 0 "[ . 1 . 2]" 1
578 1 16 LEU MD1 1 61 LEU MD1 . . 4.090 2.719 2.521 2.962 . 0 0 "[ . 1 . 2]" 1
579 1 58 MET HG2 1 61 LEU MD1 . . 3.840 3.799 3.553 3.972 0.132 20 0 "[ . 1 . 2]" 1
580 1 19 ILE MD 1 61 LEU MD1 . . 4.260 2.761 2.499 3.078 . 0 0 "[ . 1 . 2]" 1
581 1 22 TYR HB3 1 61 LEU MD1 . . 4.700 2.734 2.498 3.057 . 0 0 "[ . 1 . 2]" 1
582 1 60 HIS HD2 1 61 LEU HA . . 5.470 3.695 3.525 3.868 . 0 0 "[ . 1 . 2]" 1
583 1 22 TYR HD1 1 61 LEU HB3 . . 3.810 2.972 2.694 3.370 . 0 0 "[ . 1 . 2]" 1
584 1 61 LEU H 1 61 LEU HB2 . . 2.800 2.423 2.375 2.499 . 0 0 "[ . 1 . 2]" 1
585 1 22 TYR HD1 1 61 LEU HG . . 5.060 3.943 3.695 4.255 . 0 0 "[ . 1 . 2]" 1
586 1 20 LYS HA 1 61 LEU MD2 . . 5.260 3.765 3.505 4.113 . 0 0 "[ . 1 . 2]" 1
587 1 21 SER HA 1 61 LEU MD2 . . 5.120 2.361 2.205 2.523 . 0 0 "[ . 1 . 2]" 1
588 1 60 HIS HD2 1 61 LEU MD2 . . 4.260 2.604 2.265 3.054 . 0 0 "[ . 1 . 2]" 1
589 1 22 TYR HD1 1 61 LEU MD2 . . 4.990 3.985 3.811 4.055 . 0 0 "[ . 1 . 2]" 1
590 1 21 SER H 1 61 LEU MD2 . . 5.500 3.555 3.282 3.914 . 0 0 "[ . 1 . 2]" 1
591 1 61 LEU H 1 61 LEU MD2 . . 3.730 3.493 3.363 3.648 . 0 0 "[ . 1 . 2]" 1
592 1 21 SER HA 1 61 LEU MD1 . . 4.970 2.692 2.391 3.122 . 0 0 "[ . 1 . 2]" 1
593 1 22 TYR HD1 1 61 LEU MD1 . . 3.340 1.833 1.736 1.921 . 0 0 "[ . 1 . 2]" 1
594 1 37 PHE HD1 1 61 LEU MD1 . . 4.910 4.733 4.354 4.959 0.049 17 0 "[ . 1 . 2]" 1
595 1 37 PHE HZ 1 61 LEU MD1 . . 5.500 3.919 3.580 4.261 . 0 0 "[ . 1 . 2]" 1
596 1 58 MET H 1 61 LEU MD1 . . 4.920 4.079 3.845 4.261 . 0 0 "[ . 1 . 2]" 1
597 1 35 ILE MG 1 58 MET HG2 . . 4.590 2.708 2.424 3.529 . 0 0 "[ . 1 . 2]" 1
598 1 54 VAL MG1 1 58 MET HG2 . . 4.740 3.484 3.237 3.650 . 0 0 "[ . 1 . 2]" 1
599 1 57 ALA MB 1 58 MET HG2 . . 5.500 4.185 4.076 4.402 . 0 0 "[ . 1 . 2]" 1
600 1 35 ILE QG 1 58 MET HG2 . . 5.500 3.926 3.559 4.515 . 0 0 "[ . 1 . 2]" 1
601 1 54 VAL MG1 1 58 MET HG3 . . 4.650 2.405 2.180 2.652 . 0 0 "[ . 1 . 2]" 1
602 1 35 ILE QG 1 58 MET HG3 . . 5.500 3.975 3.495 4.879 . 0 0 "[ . 1 . 2]" 1
603 1 58 MET HA 1 61 LEU MD1 . . 4.490 2.953 2.617 3.160 . 0 0 "[ . 1 . 2]" 1
604 1 58 MET HA 1 61 LEU H . . 3.680 3.323 3.170 3.622 . 0 0 "[ . 1 . 2]" 1
605 1 55 GLN HA 1 58 MET HB3 . . 4.520 4.438 4.000 4.583 0.063 12 0 "[ . 1 . 2]" 1
606 1 22 TYR HD1 1 58 MET HB3 . . 5.500 4.880 4.589 5.489 . 0 0 "[ . 1 . 2]" 1
607 1 22 TYR HE1 1 58 MET HB2 . . 5.500 4.259 4.019 4.430 . 0 0 "[ . 1 . 2]" 1
608 1 37 PHE HZ 1 58 MET HG2 . . 5.500 4.102 3.812 4.527 . 0 0 "[ . 1 . 2]" 1
609 1 55 GLN HA 1 58 MET HG3 . . 5.480 3.372 2.289 4.059 . 0 0 "[ . 1 . 2]" 1
610 1 22 TYR HE1 1 58 MET HG3 . . 5.100 4.291 3.963 4.478 . 0 0 "[ . 1 . 2]" 1
611 1 37 PHE HZ 1 58 MET HG3 . . 4.730 3.325 3.023 3.946 . 0 0 "[ . 1 . 2]" 1
612 1 35 ILE MD 1 58 MET ME . . 3.330 3.330 2.663 3.457 0.127 4 0 "[ . 1 . 2]" 1
613 1 54 VAL MG1 1 58 MET ME . . 4.090 2.089 1.814 2.443 . 0 0 "[ . 1 . 2]" 1
614 1 35 ILE QG 1 58 MET ME . . 3.850 2.641 1.753 2.961 . 0 0 "[ . 1 . 2]" 1
615 1 55 GLN HA 1 58 MET ME . . 3.780 2.497 1.991 3.661 . 0 0 "[ . 1 . 2]" 1
616 1 58 MET H 1 58 MET ME . . 5.430 3.965 3.760 4.536 . 0 0 "[ . 1 . 2]" 1
617 1 32 ILE MD 1 34 ALA MB . . 3.720 2.302 2.086 2.547 . 0 0 "[ . 1 . 2]" 1
618 1 34 ALA MB 1 36 ILE HG13 . . 3.870 3.803 3.465 3.912 0.042 8 0 "[ . 1 . 2]" 1
619 1 32 ILE QG 1 34 ALA MB . . 4.090 2.479 2.236 2.692 . 0 0 "[ . 1 . 2]" 1
620 1 34 ALA MB 1 36 ILE MD . . 4.070 3.586 3.420 3.770 . 0 0 "[ . 1 . 2]" 1
621 1 6 CYS HB2 1 34 ALA MB . . 4.150 2.058 1.971 2.157 . 0 0 "[ . 1 . 2]" 1
622 1 34 ALA MB 1 46 CYS HB3 . . 5.080 2.780 2.642 2.993 . 0 0 "[ . 1 . 2]" 1
623 1 34 ALA MB 1 49 PRO HD3 . . 5.020 3.622 3.360 3.819 . 0 0 "[ . 1 . 2]" 1
624 1 34 ALA HA 1 35 ILE HA . . 4.600 4.403 4.344 4.440 . 0 0 "[ . 1 . 2]" 1
625 1 34 ALA HA 1 49 PRO HD3 . . 4.100 2.078 1.920 2.284 . 0 0 "[ . 1 . 2]" 1
626 1 9 TYR HE1 1 34 ALA HA . . 5.300 2.301 2.106 2.511 . 0 0 "[ . 1 . 2]" 1
627 1 34 ALA MB 1 46 CYS HA . . 4.440 3.563 3.312 3.692 . 0 0 "[ . 1 . 2]" 1
628 1 25 GLN HE22 1 34 ALA MB . . 3.780 2.806 2.650 2.952 . 0 0 "[ . 1 . 2]" 1
629 1 25 GLN HE21 1 34 ALA MB . . 3.760 3.456 3.319 3.594 . 0 0 "[ . 1 . 2]" 1
630 1 7 LEU H 1 34 ALA MB . . 4.870 4.912 4.786 4.963 0.093 9 0 "[ . 1 . 2]" 1
631 1 6 CYS H 1 34 ALA MB . . 4.610 3.406 3.211 3.567 . 0 0 "[ . 1 . 2]" 1
632 1 34 ALA MB 1 36 ILE H . . 5.500 5.050 4.912 5.145 . 0 0 "[ . 1 . 2]" 1
633 1 9 TYR HB2 1 47 ALA HA . . 4.580 4.541 4.412 4.601 0.021 14 0 "[ . 1 . 2]" 1
634 1 46 CYS H 1 46 CYS HB2 . . 3.080 2.456 2.393 2.514 . 0 0 "[ . 1 . 2]" 1
635 1 9 TYR HD1 1 46 CYS HB2 . . 5.500 5.420 5.071 5.533 0.033 3 0 "[ . 1 . 2]" 1
636 1 9 TYR HA 1 46 CYS HB2 . . 5.090 2.962 2.678 3.109 . 0 0 "[ . 1 . 2]" 1
637 1 10 THR H 1 46 CYS HA . . 4.850 4.903 4.866 4.944 0.094 18 0 "[ . 1 . 2]" 1
638 1 46 CYS HA 1 47 ALA H . . 3.450 2.220 2.190 2.263 . 0 0 "[ . 1 . 2]" 1
639 1 16 LEU MD1 1 57 ALA HA . . 4.050 2.103 1.910 2.488 . 0 0 "[ . 1 . 2]" 1
640 1 19 ILE MD 1 57 ALA HA . . 5.500 4.355 4.078 4.610 . 0 0 "[ . 1 . 2]" 1
641 1 57 ALA HA 1 61 LEU MD1 . . 5.500 3.968 3.822 4.061 . 0 0 "[ . 1 . 2]" 1
642 1 57 ALA HA 1 60 HIS HB3 . . 4.190 2.840 2.686 2.980 . 0 0 "[ . 1 . 2]" 1
643 1 16 LEU HB2 1 57 ALA MB . . 3.080 3.150 3.099 3.184 0.104 11 0 "[ . 1 . 2]" 1
644 1 57 ALA MB 1 61 LEU MD1 . . 3.870 2.431 2.192 2.583 . 0 0 "[ . 1 . 2]" 1
645 1 54 VAL MG1 1 57 ALA MB . . 4.610 3.458 3.252 3.602 . 0 0 "[ . 1 . 2]" 1
646 1 19 ILE MD 1 57 ALA MB . . 3.660 2.618 2.431 2.731 . 0 0 "[ . 1 . 2]" 1
647 1 54 VAL HA 1 57 ALA MB . . 4.030 2.468 2.242 2.664 . 0 0 "[ . 1 . 2]" 1
648 1 53 TRP HZ3 1 57 ALA MB . . 4.830 3.763 3.477 4.017 . 0 0 "[ . 1 . 2]" 1
649 1 55 GLN H 1 57 ALA MB . . 4.740 4.726 4.641 4.772 0.032 3 0 "[ . 1 . 2]" 1
650 1 53 TRP HE3 1 57 ALA MB . . 4.760 3.252 3.033 3.470 . 0 0 "[ . 1 . 2]" 1
651 1 51 GLU HB3 1 54 VAL MG1 . . 5.500 5.450 5.228 5.527 0.027 17 0 "[ . 1 . 2]" 1
652 1 18 ARG HB2 1 39 THR MG . . 5.090 3.877 3.197 4.924 . 0 0 "[ . 1 . 2]" 1
653 1 48 ASN HB3 1 51 GLU HB3 . . 5.330 4.618 4.496 4.861 . 0 0 "[ . 1 . 2]" 1
654 1 18 ARG H 1 18 ARG HB2 . . 3.000 2.751 2.520 3.015 0.015 6 0 "[ . 1 . 2]" 1
655 1 51 GLU H 1 51 GLU HB3 . . 4.030 3.663 3.626 3.723 . 0 0 "[ . 1 . 2]" 1
656 1 51 GLU HB3 1 54 VAL MG2 . . 4.030 3.232 3.095 3.342 . 0 0 "[ . 1 . 2]" 1
657 1 35 ILE QG 1 54 VAL MG1 . . 3.650 2.887 2.667 3.412 . 0 0 "[ . 1 . 2]" 1
658 1 47 ALA MB 1 54 VAL MG1 . . 3.960 2.840 2.677 3.057 . 0 0 "[ . 1 . 2]" 1
659 1 35 ILE HB 1 54 VAL MG1 . . 4.080 2.695 2.426 2.989 . 0 0 "[ . 1 . 2]" 1
660 1 49 PRO HB2 1 54 VAL MG1 . . 5.020 4.242 4.034 4.582 . 0 0 "[ . 1 . 2]" 1
661 1 49 PRO HB3 1 54 VAL MG1 . . 5.070 3.453 3.217 3.713 . 0 0 "[ . 1 . 2]" 1
662 1 55 GLN HA 1 58 MET HB2 . . 4.320 2.815 2.480 2.989 . 0 0 "[ . 1 . 2]" 1
663 1 37 PHE HE1 1 54 VAL HA . . 4.900 4.150 3.924 4.345 . 0 0 "[ . 1 . 2]" 1
664 1 37 PHE HZ 1 54 VAL HA . . 3.980 2.099 1.961 2.233 . 0 0 "[ . 1 . 2]" 1
665 1 54 VAL HA 1 57 ALA H . . 3.910 3.312 3.140 3.489 . 0 0 "[ . 1 . 2]" 1
666 1 54 VAL H 1 54 VAL HB . . 3.220 2.443 2.398 2.478 . 0 0 "[ . 1 . 2]" 1
667 1 51 GLU H 1 54 VAL HB . . 4.250 3.146 2.967 3.343 . 0 0 "[ . 1 . 2]" 1
668 1 54 VAL H 1 54 VAL MG2 . . 3.200 2.225 2.156 2.291 . 0 0 "[ . 1 . 2]" 1
669 1 37 PHE HE1 1 54 VAL MG2 . . 4.720 3.568 3.169 3.879 . 0 0 "[ . 1 . 2]" 1
670 1 53 TRP HH2 1 54 VAL MG2 . . 5.310 3.530 3.423 3.735 . 0 0 "[ . 1 . 2]" 1
671 1 53 TRP HZ2 1 54 VAL MG2 . . 5.360 3.130 3.007 3.316 . 0 0 "[ . 1 . 2]" 1
672 1 49 PRO HA 1 54 VAL MG1 . . 3.670 1.940 1.856 2.026 . 0 0 "[ . 1 . 2]" 1
673 1 37 PHE HE1 1 54 VAL MG1 . . 4.150 2.042 1.895 2.162 . 0 0 "[ . 1 . 2]" 1
674 1 37 PHE HZ 1 54 VAL MG1 . . 3.970 1.993 1.891 2.143 . 0 0 "[ . 1 . 2]" 1
675 1 51 GLU H 1 54 VAL MG1 . . 4.580 3.988 3.751 4.155 . 0 0 "[ . 1 . 2]" 1
676 1 54 VAL MG1 1 58 MET H . . 5.500 3.809 3.572 3.998 . 0 0 "[ . 1 . 2]" 1
677 1 35 ILE H 1 54 VAL MG1 . . 5.500 4.061 3.773 4.379 . 0 0 "[ . 1 . 2]" 1
678 1 53 TRP HB3 1 53 TRP HD1 . . 3.460 2.772 2.730 2.831 . 0 0 "[ . 1 . 2]" 1
679 1 53 TRP HE1 1 54 VAL MG2 . . 5.270 3.070 2.834 3.237 . 0 0 "[ . 1 . 2]" 1
680 1 9 TYR HB3 1 48 ASN HB2 . . 5.010 2.464 2.223 2.687 . 0 0 "[ . 1 . 2]" 1
681 1 9 TYR HB3 1 47 ALA HA . . 5.500 3.002 2.870 3.123 . 0 0 "[ . 1 . 2]" 1
682 1 9 TYR HB3 1 9 TYR HD1 . . 3.200 2.317 2.273 2.380 . 0 0 "[ . 1 . 2]" 1
683 1 9 TYR H 1 9 TYR HB2 . . 3.640 2.893 2.821 2.981 . 0 0 "[ . 1 . 2]" 1
684 1 9 TYR HB2 1 10 THR H . . 4.660 3.642 3.494 3.824 . 0 0 "[ . 1 . 2]" 1
685 1 9 TYR HB3 1 48 ASN H . . 4.320 2.406 2.328 2.513 . 0 0 "[ . 1 . 2]" 1
686 1 10 THR MG 1 47 ALA MB . . 2.840 2.524 2.300 2.809 . 0 0 "[ . 1 . 2]" 1
687 1 10 THR MG 1 45 ILE MG . . 3.360 2.179 1.970 2.326 . 0 0 "[ . 1 . 2]" 1
688 1 10 THR HB 1 47 ALA HA . . 5.500 4.132 3.964 4.329 . 0 0 "[ . 1 . 2]" 1
689 1 10 THR H 1 10 THR HB . . 4.130 2.662 2.609 2.715 . 0 0 "[ . 1 . 2]" 1
690 1 10 THR MG 1 47 ALA HA . . 4.100 2.000 1.900 2.178 . 0 0 "[ . 1 . 2]" 1
691 1 10 THR MG 1 53 TRP HH2 . . 3.730 2.891 2.616 3.312 . 0 0 "[ . 1 . 2]" 1
692 1 10 THR MG 1 53 TRP HZ2 . . 3.310 2.283 2.072 2.567 . 0 0 "[ . 1 . 2]" 1
693 1 10 THR MG 1 48 ASN H . . 4.470 3.388 3.271 3.562 . 0 0 "[ . 1 . 2]" 1
694 1 10 THR H 1 10 THR MG . . 2.990 1.983 1.910 2.079 . 0 0 "[ . 1 . 2]" 1
695 1 19 ILE MG 1 37 PHE HA . . 5.080 3.312 3.202 3.441 . 0 0 "[ . 1 . 2]" 1
696 1 35 ILE MG 1 37 PHE HA . . 5.490 3.787 3.714 3.925 . 0 0 "[ . 1 . 2]" 1
697 1 37 PHE HB2 1 45 ILE HB . . 4.000 1.925 1.858 1.989 . 0 0 "[ . 1 . 2]" 1
698 1 37 PHE HB2 1 39 THR MG . . 5.420 4.835 4.609 4.988 . 0 0 "[ . 1 . 2]" 1
699 1 19 ILE MD 1 37 PHE HB2 . . 5.500 4.430 4.241 4.648 . 0 0 "[ . 1 . 2]" 1
700 1 37 PHE HB3 1 45 ILE HB . . 4.540 2.922 2.781 3.082 . 0 0 "[ . 1 . 2]" 1
701 1 19 ILE HG12 1 37 PHE HB3 . . 5.500 3.444 3.247 3.716 . 0 0 "[ . 1 . 2]" 1
702 1 19 ILE MD 1 37 PHE HB3 . . 5.500 3.360 3.117 3.634 . 0 0 "[ . 1 . 2]" 1
703 1 38 THR HA 1 44 LYS HD3 . . 4.910 3.321 3.063 4.012 . 0 0 "[ . 1 . 2]" 1
704 1 20 LYS HG2 1 38 THR HB . . 5.120 4.913 4.617 5.137 0.017 6 0 "[ . 1 . 2]" 1
705 1 38 THR HA 1 45 ILE HG13 . . 5.400 5.477 5.439 5.529 0.129 8 0 "[ . 1 . 2]" 1
706 1 6 CYS HB2 1 46 CYS HB2 . . 4.700 4.564 4.485 4.674 . 0 0 "[ . 1 . 2]" 1
707 1 6 CYS HB2 1 32 ILE QG . . 4.250 3.928 3.671 4.090 . 0 0 "[ . 1 . 2]" 1
708 1 22 TYR HD1 1 37 PHE HA . . 5.500 4.872 4.567 5.054 . 0 0 "[ . 1 . 2]" 1
709 1 37 PHE HA 1 37 PHE HD1 . . 3.790 2.621 2.331 2.915 . 0 0 "[ . 1 . 2]" 1
710 1 37 PHE HB2 1 38 THR H . . 5.500 4.150 4.077 4.323 . 0 0 "[ . 1 . 2]" 1
711 1 5 CYS HB3 1 6 CYS H . . 4.680 2.800 2.522 3.218 . 0 0 "[ . 1 . 2]" 1
712 1 5 CYS HB2 1 25 GLN HE22 . . 5.430 5.021 4.575 5.321 . 0 0 "[ . 1 . 2]" 1
713 1 6 CYS H 1 6 CYS HB3 . . 3.510 3.571 3.552 3.585 0.075 1 0 "[ . 1 . 2]" 1
714 1 6 CYS HB3 1 34 ALA MB . . 4.140 3.098 2.997 3.211 . 0 0 "[ . 1 . 2]" 1
715 1 6 CYS HB3 1 46 CYS HB3 . . 4.080 2.268 2.172 2.354 . 0 0 "[ . 1 . 2]" 1
716 1 6 CYS HB2 1 46 CYS HB3 . . 4.920 2.985 2.884 3.060 . 0 0 "[ . 1 . 2]" 1
717 1 33 LYS HG3 1 34 ALA H . . 5.500 3.610 3.417 3.839 . 0 0 "[ . 1 . 2]" 1
718 1 21 SER HB2 1 22 TYR H . . 4.060 2.856 2.173 3.835 . 0 0 "[ . 1 . 2]" 1
719 1 22 TYR HA 1 37 PHE HA . . 3.920 2.544 2.476 2.647 . 0 0 "[ . 1 . 2]" 1
720 1 22 TYR HA 1 22 TYR HD1 . . 4.550 4.364 4.296 4.422 . 0 0 "[ . 1 . 2]" 1
721 1 22 TYR HB2 1 37 PHE HA . . 5.000 3.168 2.938 3.269 . 0 0 "[ . 1 . 2]" 1
722 1 22 TYR HA 1 61 LEU MD1 . . 5.500 4.198 3.976 4.514 . 0 0 "[ . 1 . 2]" 1
723 1 22 TYR HB2 1 61 LEU MD1 . . 5.400 4.152 3.932 4.449 . 0 0 "[ . 1 . 2]" 1
724 1 22 TYR HB2 1 36 ILE H . . 4.470 3.478 3.327 3.627 . 0 0 "[ . 1 . 2]" 1
725 1 23 THR MG 1 36 ILE HB . . 3.880 3.458 1.843 3.668 . 0 0 "[ . 1 . 2]" 1
726 1 23 THR MG 1 36 ILE MG . . 4.680 4.204 2.836 4.489 . 0 0 "[ . 1 . 2]" 1
727 1 23 THR MG 1 35 ILE MD . . 4.840 4.923 4.857 4.952 0.112 14 0 "[ . 1 . 2]" 1
728 1 23 THR HB 1 36 ILE MD . . 5.500 2.459 2.009 4.795 . 0 0 "[ . 1 . 2]" 1
729 1 22 TYR HB3 1 37 PHE HA . . 5.500 2.715 2.499 2.874 . 0 0 "[ . 1 . 2]" 1
730 1 22 TYR HB3 1 22 TYR HD1 . . 3.510 2.302 2.289 2.330 . 0 0 "[ . 1 . 2]" 1
731 1 22 TYR HB3 1 37 PHE HD1 . . 4.610 3.290 2.866 3.628 . 0 0 "[ . 1 . 2]" 1
732 1 23 THR HA 1 24 ILE H . . 3.400 2.228 2.150 2.350 . 0 0 "[ . 1 . 2]" 1
733 1 23 THR H 1 23 THR HB . . 3.750 2.598 2.507 3.203 . 0 0 "[ . 1 . 2]" 1
734 1 23 THR MG 1 24 ILE H . . 4.550 2.621 2.446 3.674 . 0 0 "[ . 1 . 2]" 1
735 1 25 GLN HB3 1 34 ALA MB . . 3.800 3.358 3.238 3.631 . 0 0 "[ . 1 . 2]" 1
736 1 23 THR MG 1 25 GLN HB3 . . 5.300 4.974 4.659 5.184 . 0 0 "[ . 1 . 2]" 1
737 1 25 GLN HB3 1 36 ILE MD . . 4.060 2.705 2.605 3.048 . 0 0 "[ . 1 . 2]" 1
738 1 25 GLN HG2 1 34 ALA MB . . 5.470 3.980 3.903 4.105 . 0 0 "[ . 1 . 2]" 1
739 1 24 ILE MG 1 26 SER HB2 . . 4.940 4.110 2.729 4.963 0.023 12 0 "[ . 1 . 2]" 1
740 1 25 GLN HB3 1 34 ALA H . . 4.180 2.122 1.953 2.346 . 0 0 "[ . 1 . 2]" 1
741 1 25 GLN H 1 25 GLN HB3 . . 2.850 2.345 2.277 2.448 . 0 0 "[ . 1 . 2]" 1
742 1 25 GLN HE22 1 25 GLN HG2 . . 3.760 3.466 3.451 3.510 . 0 0 "[ . 1 . 2]" 1
743 1 25 GLN HG2 1 34 ALA H . . 5.500 2.434 2.314 2.583 . 0 0 "[ . 1 . 2]" 1
744 1 25 GLN HG2 1 30 CYS HB3 . . 4.830 3.754 3.589 4.018 . 0 0 "[ . 1 . 2]" 1
745 1 30 CYS HB3 1 34 ALA MB . . 5.500 5.411 5.265 5.537 0.037 5 0 "[ . 1 . 2]" 1
746 1 30 CYS HB3 1 32 ILE QG . . 5.500 4.160 3.842 4.381 . 0 0 "[ . 1 . 2]" 1
747 1 5 CYS HA 1 30 CYS HB3 . . 5.490 3.663 3.173 4.092 . 0 0 "[ . 1 . 2]" 1
748 1 5 CYS HA 1 30 CYS HA . . 5.500 5.361 4.974 5.558 0.058 2 0 "[ . 1 . 2]" 1
749 1 25 GLN HG2 1 30 CYS HB2 . . 4.530 2.707 2.607 2.888 . 0 0 "[ . 1 . 2]" 1
750 1 30 CYS HB3 1 32 ILE H . . 4.450 3.140 2.899 3.426 . 0 0 "[ . 1 . 2]" 1
751 1 25 GLN HE21 1 30 CYS HB3 . . 3.820 2.727 2.498 2.953 . 0 0 "[ . 1 . 2]" 1
752 1 38 THR MG 1 40 LYS HA . . 5.500 4.593 4.371 4.706 . 0 0 "[ . 1 . 2]" 1
753 1 38 THR HA 1 45 ILE H . . 5.500 3.305 3.214 3.462 . 0 0 "[ . 1 . 2]" 1
754 1 21 SER H 1 38 THR HB . . 3.470 2.987 2.678 3.143 . 0 0 "[ . 1 . 2]" 1
755 1 38 THR HB 1 39 THR H . . 5.500 4.106 4.046 4.214 . 0 0 "[ . 1 . 2]" 1
756 1 38 THR MG 1 42 GLY H . . 5.500 3.276 3.181 3.373 . 0 0 "[ . 1 . 2]" 1
757 1 38 THR MG 1 39 THR H . . 4.430 2.577 2.485 2.646 . 0 0 "[ . 1 . 2]" 1
758 1 19 ILE HA 1 39 THR HA . . 3.690 1.969 1.880 2.130 . 0 0 "[ . 1 . 2]" 1
759 1 20 LYS H 1 39 THR HA . . 3.040 2.710 2.606 2.796 . 0 0 "[ . 1 . 2]" 1
760 1 21 SER H 1 39 THR HA . . 4.680 4.658 4.536 4.746 0.066 7 0 "[ . 1 . 2]" 1
761 1 39 THR MG 1 45 ILE HG12 . . 4.160 3.069 2.795 3.355 . 0 0 "[ . 1 . 2]" 1
762 1 19 ILE HA 1 39 THR MG . . 5.290 3.089 2.949 3.211 . 0 0 "[ . 1 . 2]" 1
763 1 39 THR MG 1 43 ARG H . . 5.390 4.124 3.910 4.406 . 0 0 "[ . 1 . 2]" 1
764 1 39 THR H 1 39 THR MG . . 3.830 2.686 2.573 2.834 . 0 0 "[ . 1 . 2]" 1
765 1 37 PHE HD1 1 45 ILE HB . . 4.680 4.750 4.703 4.788 0.108 6 0 "[ . 1 . 2]" 1
766 1 37 PHE HD1 1 45 ILE MG . . 5.010 4.940 4.730 5.022 0.012 9 0 "[ . 1 . 2]" 1
767 1 45 ILE MG 1 46 CYS H . . 4.130 2.857 2.588 3.158 . 0 0 "[ . 1 . 2]" 1
768 1 36 ILE HG13 1 46 CYS HA . . 5.110 3.166 2.813 3.854 . 0 0 "[ . 1 . 2]" 1
769 1 36 ILE MD 1 46 CYS HA . . 4.750 4.353 4.123 4.635 . 0 0 "[ . 1 . 2]" 1
770 1 50 ASN HA 1 55 GLN HE22 . . 3.880 2.972 2.778 3.148 . 0 0 "[ . 1 . 2]" 1
771 1 48 ASN HD22 1 50 ASN HA . . 3.990 4.171 4.109 4.257 0.267 8 0 "[ . 1 . 2]" 1
772 1 50 ASN H 1 50 ASN HB2 . . 3.120 2.508 2.434 2.610 . 0 0 "[ . 1 . 2]" 1
773 1 50 ASN H 1 50 ASN HB3 . . 3.710 3.600 3.475 3.681 . 0 0 "[ . 1 . 2]" 1
774 1 48 ASN HD22 1 50 ASN HB2 . . 5.320 1.857 1.706 2.105 . 0 0 "[ . 1 . 2]" 1
775 1 50 ASN HB2 1 51 GLU H . . 5.450 3.483 3.234 3.836 . 0 0 "[ . 1 . 2]" 1
776 1 50 ASN HB3 1 51 GLU H . . 5.500 4.212 4.089 4.312 . 0 0 "[ . 1 . 2]" 1
777 1 51 GLU HB2 1 54 VAL MG2 . . 4.370 2.025 1.928 2.139 . 0 0 "[ . 1 . 2]" 1
778 1 51 GLU HG2 1 54 VAL MG2 . . 5.500 4.378 4.199 4.516 . 0 0 "[ . 1 . 2]" 1
779 1 48 ASN HB3 1 51 GLU HG2 . . 4.630 2.979 2.763 3.135 . 0 0 "[ . 1 . 2]" 1
780 1 48 ASN HB3 1 51 GLU HG3 . . 5.050 1.872 1.770 2.029 . 0 0 "[ . 1 . 2]" 1
781 1 48 ASN HB3 1 51 GLU HB2 . . 5.500 3.863 3.740 4.084 . 0 0 "[ . 1 . 2]" 1
782 1 47 ALA MB 1 51 GLU HB2 . . 5.500 4.394 4.259 4.531 . 0 0 "[ . 1 . 2]" 1
783 1 51 GLU HG3 1 54 VAL MG2 . . 5.500 3.201 3.003 3.374 . 0 0 "[ . 1 . 2]" 1
784 1 51 GLU H 1 51 GLU HB2 . . 3.580 2.593 2.545 2.626 . 0 0 "[ . 1 . 2]" 1
785 1 51 GLU HB2 1 53 TRP HD1 . . 3.370 3.353 3.141 3.388 0.018 19 0 "[ . 1 . 2]" 1
786 1 51 GLU H 1 51 GLU HG3 . . 5.030 2.409 2.250 2.656 . 0 0 "[ . 1 . 2]" 1
787 1 13 PRO HB3 1 53 TRP HB3 . . 5.500 3.888 3.517 4.224 . 0 0 "[ . 1 . 2]" 1
788 1 53 TRP HB2 1 56 LYS HB2 . . 5.500 5.067 4.223 5.539 0.039 11 0 "[ . 1 . 2]" 1
789 1 13 PRO HB3 1 53 TRP HB2 . . 5.340 3.934 3.515 4.504 . 0 0 "[ . 1 . 2]" 1
790 1 16 LEU MD2 1 60 HIS HA . . 5.330 4.586 4.386 4.901 . 0 0 "[ . 1 . 2]" 1
791 1 53 TRP HA 1 53 TRP HE3 . . 5.500 4.288 4.228 4.354 . 0 0 "[ . 1 . 2]" 1
792 1 55 GLN H 1 55 GLN HG2 . . 3.560 2.834 2.028 3.186 . 0 0 "[ . 1 . 2]" 1
793 1 55 GLN H 1 55 GLN HG3 . . 3.560 2.344 1.900 3.584 0.024 1 0 "[ . 1 . 2]" 1
794 1 55 GLN HG3 1 56 LYS H . . 5.500 4.188 3.841 4.567 . 0 0 "[ . 1 . 2]" 1
795 1 55 GLN HG2 1 56 LYS H . . 5.500 4.603 3.827 4.917 . 0 0 "[ . 1 . 2]" 1
796 1 16 LEU MD2 1 60 HIS HB2 . . 4.460 2.808 2.431 3.294 . 0 0 "[ . 1 . 2]" 1
797 1 16 LEU MD2 1 60 HIS HB3 . . 4.390 2.413 2.182 2.825 . 0 0 "[ . 1 . 2]" 1
798 1 16 LEU MD1 1 60 HIS HB3 . . 4.460 2.685 2.333 3.154 . 0 0 "[ . 1 . 2]" 1
799 1 57 ALA HA 1 60 HIS HB2 . . 4.450 4.045 3.717 4.230 . 0 0 "[ . 1 . 2]" 1
800 1 60 HIS HB2 1 61 LEU H . . 4.740 3.971 3.879 4.064 . 0 0 "[ . 1 . 2]" 1
801 1 48 ASN HA 1 49 PRO HD2 . . 3.710 1.991 1.913 2.500 . 0 0 "[ . 1 . 2]" 1
802 1 34 ALA MB 1 48 ASN HA . . 5.500 3.916 3.786 4.065 . 0 0 "[ . 1 . 2]" 1
803 1 34 ALA HA 1 48 ASN HA . . 5.500 3.432 3.238 3.601 . 0 0 "[ . 1 . 2]" 1
804 1 9 TYR HE1 1 48 ASN HA . . 3.980 2.723 2.578 2.925 . 0 0 "[ . 1 . 2]" 1
805 1 9 TYR HB2 1 48 ASN HB2 . . 5.020 2.783 2.617 3.118 . 0 0 "[ . 1 . 2]" 1
806 1 9 TYR HB2 1 48 ASN HB3 . . 5.120 3.793 3.660 3.941 . 0 0 "[ . 1 . 2]" 1
807 1 9 TYR HB3 1 48 ASN HB3 . . 4.840 3.287 3.119 3.441 . 0 0 "[ . 1 . 2]" 1
808 1 48 ASN HB2 1 51 GLU HG2 . . 5.410 4.418 4.239 4.589 . 0 0 "[ . 1 . 2]" 1
809 1 48 ASN HB3 1 54 VAL MG2 . . 5.500 3.859 3.708 4.031 . 0 0 "[ . 1 . 2]" 1
810 1 48 ASN HB2 1 54 VAL MG2 . . 5.500 4.957 4.813 5.114 . 0 0 "[ . 1 . 2]" 1
811 1 9 TYR HD1 1 48 ASN HB3 . . 5.500 4.030 3.827 4.194 . 0 0 "[ . 1 . 2]" 1
812 1 48 ASN HB3 1 51 GLU H . . 5.360 3.774 3.632 3.936 . 0 0 "[ . 1 . 2]" 1
813 1 9 TYR HD1 1 48 ASN HB2 . . 4.000 2.860 2.667 3.027 . 0 0 "[ . 1 . 2]" 1
814 1 48 ASN H 1 48 ASN HB2 . . 3.220 2.765 2.717 2.838 . 0 0 "[ . 1 . 2]" 1
815 1 21 SER HB3 1 22 TYR H . . 4.060 3.219 2.238 3.706 . 0 0 "[ . 1 . 2]" 1
816 1 24 ILE HG13 1 35 ILE MG . . 5.500 4.287 4.020 4.676 . 0 0 "[ . 1 . 2]" 1
817 1 24 ILE HG12 1 35 ILE MG . . 5.500 3.684 3.360 4.245 . 0 0 "[ . 1 . 2]" 1
818 1 9 TYR HD1 1 48 ASN HD21 . . 4.630 3.661 3.533 3.867 . 0 0 "[ . 1 . 2]" 1
819 1 22 TYR HE1 1 61 LEU H . . 5.020 3.823 3.561 4.296 . 0 0 "[ . 1 . 2]" 1
820 1 9 TYR HE1 1 48 ASN HD22 . . 4.680 4.674 4.475 4.753 0.073 11 0 "[ . 1 . 2]" 1
821 1 9 TYR HE1 1 48 ASN HD21 . . 5.310 3.089 2.939 3.166 . 0 0 "[ . 1 . 2]" 1
822 1 22 TYR HA 1 37 PHE HD1 . . 4.600 4.230 3.926 4.583 . 0 0 "[ . 1 . 2]" 1
823 1 9 TYR HD1 1 47 ALA HA . . 4.170 3.748 3.604 3.994 . 0 0 "[ . 1 . 2]" 1
824 1 9 TYR HD1 1 34 ALA HA . . 3.810 3.179 3.030 3.284 . 0 0 "[ . 1 . 2]" 1
825 1 9 TYR HD1 1 49 PRO HD3 . . 5.020 3.354 2.714 3.606 . 0 0 "[ . 1 . 2]" 1
826 1 9 TYR HE1 1 49 PRO HD3 . . 4.080 2.932 2.216 3.234 . 0 0 "[ . 1 . 2]" 1
827 1 53 TRP HD1 1 54 VAL H . . 5.070 3.613 3.360 3.713 . 0 0 "[ . 1 . 2]" 1
828 1 53 TRP HA 1 53 TRP HD1 . . 4.490 4.517 4.455 4.549 0.059 2 0 "[ . 1 . 2]" 1
829 1 47 ALA HA 1 53 TRP HZ2 . . 5.440 3.759 3.527 3.977 . 0 0 "[ . 1 . 2]" 1
830 1 10 THR HB 1 53 TRP HZ2 . . 5.450 5.116 4.877 5.487 0.037 19 0 "[ . 1 . 2]" 1
831 1 22 TYR HB2 1 37 PHE HD1 . . 4.260 3.061 2.829 3.334 . 0 0 "[ . 1 . 2]" 1
832 1 9 TYR HD1 1 51 GLU HG3 . . 5.500 5.585 5.515 5.630 0.130 6 0 "[ . 1 . 2]" 1
833 1 22 TYR HD1 1 61 LEU HB2 . . 3.850 2.536 2.224 2.992 . 0 0 "[ . 1 . 2]" 1
834 1 37 PHE HB2 1 37 PHE HD1 . . 3.440 2.955 2.837 3.025 . 0 0 "[ . 1 . 2]" 1
835 1 37 PHE HD1 1 47 ALA MB . . 3.750 3.026 2.789 3.304 . 0 0 "[ . 1 . 2]" 1
836 1 37 PHE HD1 1 54 VAL MG1 . . 5.060 4.097 3.919 4.312 . 0 0 "[ . 1 . 2]" 1
837 1 35 ILE MG 1 37 PHE HD1 . . 4.690 2.214 2.157 2.345 . 0 0 "[ . 1 . 2]" 1
838 1 37 PHE HD1 1 54 VAL MG2 . . 4.900 4.815 4.493 4.918 0.018 6 0 "[ . 1 . 2]" 1
839 1 37 PHE HZ 1 57 ALA MB . . 3.760 2.181 2.050 2.281 . 0 0 "[ . 1 . 2]" 1
840 1 35 ILE MG 1 37 PHE HZ . . 4.690 3.925 3.785 4.245 . 0 0 "[ . 1 . 2]" 1
841 1 37 PHE HZ 1 54 VAL MG2 . . 5.020 2.851 2.509 3.157 . 0 0 "[ . 1 . 2]" 1
842 1 22 TYR HB3 1 37 PHE HE1 . . 4.560 3.854 3.401 4.163 . 0 0 "[ . 1 . 2]" 1
843 1 22 TYR HB2 1 37 PHE HE1 . . 5.330 3.829 3.515 4.110 . 0 0 "[ . 1 . 2]" 1
844 1 37 PHE HE1 1 58 MET HG3 . . 5.290 3.611 3.283 4.461 . 0 0 "[ . 1 . 2]" 1
845 1 37 PHE HE1 1 54 VAL HB . . 5.310 5.050 4.834 5.220 . 0 0 "[ . 1 . 2]" 1
846 1 37 PHE HE1 1 57 ALA MB . . 4.040 4.124 4.076 4.168 0.128 11 0 "[ . 1 . 2]" 1
847 1 35 ILE QG 1 37 PHE HE1 . . 4.370 3.707 3.468 4.229 . 0 0 "[ . 1 . 2]" 1
848 1 35 ILE MD 1 37 PHE HE1 . . 5.230 4.597 4.481 4.956 . 0 0 "[ . 1 . 2]" 1
849 1 35 ILE MG 1 37 PHE HE1 . . 4.700 2.083 1.965 2.266 . 0 0 "[ . 1 . 2]" 1
850 1 9 TYR HD1 1 49 PRO HD2 . . 5.290 3.317 3.099 3.784 . 0 0 "[ . 1 . 2]" 1
851 1 9 TYR HD1 1 34 ALA MB . . 3.760 2.727 2.602 2.839 . 0 0 "[ . 1 . 2]" 1
852 1 9 TYR HD1 1 32 ILE MD . . 4.450 4.019 3.620 4.456 0.006 11 0 "[ . 1 . 2]" 1
853 1 9 TYR HD1 1 54 VAL MG2 . . 5.470 5.331 5.175 5.487 0.017 13 0 "[ . 1 . 2]" 1
854 1 22 TYR HD1 1 58 MET HA . . 4.170 3.052 2.778 3.686 . 0 0 "[ . 1 . 2]" 1
855 1 22 TYR HB2 1 22 TYR HD1 . . 3.490 3.515 3.502 3.533 0.043 10 0 "[ . 1 . 2]" 1
856 1 22 TYR HD1 1 57 ALA MB . . 4.230 4.259 4.230 4.295 0.065 19 0 "[ . 1 . 2]" 1
857 1 22 TYR HD1 1 58 MET HG2 . . 4.010 3.295 3.036 3.725 . 0 0 "[ . 1 . 2]" 1
858 1 60 HIS HB3 1 60 HIS HD2 . . 3.890 2.679 2.638 2.717 . 0 0 "[ . 1 . 2]" 1
859 1 16 LEU HG 1 60 HIS HD2 . . 4.790 2.999 2.649 3.646 . 0 0 "[ . 1 . 2]" 1
860 1 57 ALA MB 1 60 HIS HD2 . . 4.970 4.810 4.651 4.968 . 0 0 "[ . 1 . 2]" 1
861 1 16 LEU HB2 1 60 HIS HD2 . . 5.010 5.098 5.049 5.132 0.122 8 0 "[ . 1 . 2]" 1
862 1 16 LEU MD2 1 60 HIS HD2 . . 4.230 2.503 2.194 2.878 . 0 0 "[ . 1 . 2]" 1
863 1 22 TYR HE1 1 58 MET HA . . 3.990 1.824 1.791 1.883 . 0 0 "[ . 1 . 2]" 1
864 1 22 TYR HB3 1 22 TYR HE1 . . 4.880 4.593 4.576 4.627 . 0 0 "[ . 1 . 2]" 1
865 1 22 TYR HE1 1 61 LEU HB2 . . 3.910 2.119 1.928 2.526 . 0 0 "[ . 1 . 2]" 1
866 1 22 TYR HE1 1 61 LEU MD1 . . 3.620 3.216 2.882 3.439 . 0 0 "[ . 1 . 2]" 1
867 1 22 TYR HE1 1 58 MET HG2 . . 4.190 2.902 2.550 3.132 . 0 0 "[ . 1 . 2]" 1
868 1 22 TYR HE1 1 35 ILE MG . . 4.420 4.529 4.479 4.565 0.145 16 0 "[ . 1 . 2]" 1
869 1 9 TYR HE1 1 32 ILE QG . . 4.990 4.015 3.828 4.310 . 0 0 "[ . 1 . 2]" 1
870 1 9 TYR HE1 1 48 ASN HB2 . . 4.590 4.062 3.702 4.305 . 0 0 "[ . 1 . 2]" 1
871 1 9 TYR HE1 1 49 PRO HD2 . . 4.720 2.287 2.110 2.529 . 0 0 "[ . 1 . 2]" 1
872 1 13 PRO HB3 1 53 TRP HD1 . . 4.630 3.768 3.185 4.030 . 0 0 "[ . 1 . 2]" 1
873 1 51 GLU HB3 1 53 TRP HD1 . . 3.960 2.222 2.154 2.276 . 0 0 "[ . 1 . 2]" 1
874 1 13 PRO HA 1 53 TRP HD1 . . 4.900 4.914 4.669 4.954 0.054 1 0 "[ . 1 . 2]" 1
875 1 51 GLU HG2 1 53 TRP HD1 . . 4.580 4.612 4.569 4.674 0.094 18 0 "[ . 1 . 2]" 1
876 1 51 GLU HG3 1 53 TRP HD1 . . 4.760 4.810 4.731 4.867 0.107 19 0 "[ . 1 . 2]" 1
877 1 53 TRP HB2 1 53 TRP HE3 . . 4.190 2.510 2.457 2.551 . 0 0 "[ . 1 . 2]" 1
878 1 19 ILE MD 1 53 TRP HE3 . . 4.670 3.772 3.416 4.188 . 0 0 "[ . 1 . 2]" 1
879 1 45 ILE MG 1 53 TRP HZ2 . . 4.870 4.242 3.823 4.517 . 0 0 "[ . 1 . 2]" 1
880 1 13 PRO HA 1 53 TRP HH2 . . 4.650 3.528 3.321 3.752 . 0 0 "[ . 1 . 2]" 1
881 1 45 ILE MG 1 53 TRP HH2 . . 4.050 3.220 2.941 3.568 . 0 0 "[ . 1 . 2]" 1
882 1 5 CYS HB2 1 7 LEU QD . . 4.770 3.798 3.179 4.814 0.044 16 0 "[ . 1 . 2]" 1
883 1 5 CYS HB3 1 7 LEU QD . . 4.590 3.775 3.359 4.663 0.073 5 0 "[ . 1 . 2]" 1
884 1 7 LEU HA 1 7 LEU QD . . 3.530 2.647 1.992 3.363 . 0 0 "[ . 1 . 2]" 1
885 1 7 LEU QB 1 31 ASN QD . . 5.180 3.915 1.829 5.115 . 0 0 "[ . 1 . 2]" 1
886 1 7 LEU QB 1 32 ILE MD . . 5.280 3.863 3.519 4.196 . 0 0 "[ . 1 . 2]" 1
887 1 7 LEU QD 1 31 ASN QD . . 4.320 2.702 1.942 3.733 . 0 0 "[ . 1 . 2]" 1
888 1 7 LEU QD 1 32 ILE MD . . 4.520 4.015 2.730 4.500 . 0 0 "[ . 1 . 2]" 1
889 1 8 LYS H 1 8 LYS QG . . 3.870 2.801 2.154 3.953 0.083 12 0 "[ . 1 . 2]" 1
890 1 8 LYS HB2 1 8 LYS QE . . 3.300 2.268 1.919 3.013 . 0 0 "[ . 1 . 2]" 1
891 1 8 LYS HB3 1 8 LYS QE . . 3.670 2.816 1.982 3.700 0.030 7 0 "[ . 1 . 2]" 1
892 1 8 LYS QE 1 8 LYS QG . . 3.240 2.510 2.312 2.839 . 0 0 "[ . 1 . 2]" 1
893 1 11 LYS HA 1 11 LYS QG . . 3.710 2.858 2.409 3.560 . 0 0 "[ . 1 . 2]" 1
894 1 12 ARG H 1 12 ARG QD . . 4.770 4.444 4.157 4.787 0.017 17 0 "[ . 1 . 2]" 1
895 1 12 ARG HB3 1 12 ARG QG . . 2.500 2.311 2.172 2.365 . 0 0 "[ . 1 . 2]" 1
896 1 12 ARG QG 1 14 LEU HA . . 4.570 4.341 3.949 4.628 0.058 16 0 "[ . 1 . 2]" 1
897 1 13 PRO QG 1 53 TRP HD1 . . 5.260 4.338 3.430 5.196 . 0 0 "[ . 1 . 2]" 1
898 1 14 LEU HA 1 14 LEU QD . . 3.960 2.202 2.065 2.513 . 0 0 "[ . 1 . 2]" 1
899 1 14 LEU HA 1 15 PRO QG . . 4.900 3.867 3.819 3.977 . 0 0 "[ . 1 . 2]" 1
900 1 14 LEU QB 1 19 ILE MG . . 4.550 4.444 4.144 4.609 0.059 8 0 "[ . 1 . 2]" 1
901 1 14 LEU QB 1 37 PHE HB3 . . 5.090 4.231 3.845 4.639 . 0 0 "[ . 1 . 2]" 1
902 1 14 LEU QD 1 15 PRO HD2 . . 4.470 2.460 1.826 3.338 . 0 0 "[ . 1 . 2]" 1
903 1 14 LEU QD 1 18 ARG H . . 5.080 4.669 3.724 5.167 0.087 4 0 "[ . 1 . 2]" 1
904 1 14 LEU QD 1 18 ARG HB2 . . 5.030 3.825 2.540 5.112 0.082 16 0 "[ . 1 . 2]" 1
905 1 14 LEU QD 1 18 ARG HB3 . . 5.100 3.736 2.657 4.665 . 0 0 "[ . 1 . 2]" 1
906 1 14 LEU QD 1 19 ILE H . . 5.150 4.685 3.988 5.149 . 0 0 "[ . 1 . 2]" 1
907 1 14 LEU QD 1 19 ILE MG . . 3.500 3.005 2.812 3.275 . 0 0 "[ . 1 . 2]" 1
908 1 14 LEU QD 1 19 ILE HG12 . . 3.890 2.046 1.887 2.324 . 0 0 "[ . 1 . 2]" 1
909 1 14 LEU QD 1 19 ILE HG13 . . 5.250 3.013 2.206 3.421 . 0 0 "[ . 1 . 2]" 1
910 1 14 LEU QD 1 19 ILE MD . . 4.060 2.420 2.223 2.644 . 0 0 "[ . 1 . 2]" 1
911 1 14 LEU QD 1 20 LYS H . . 5.440 4.978 4.687 5.390 . 0 0 "[ . 1 . 2]" 1
912 1 14 LEU QD 1 37 PHE HB2 . . 4.740 2.815 2.512 3.007 . 0 0 "[ . 1 . 2]" 1
913 1 14 LEU QD 1 37 PHE HB3 . . 4.950 2.316 2.124 2.543 . 0 0 "[ . 1 . 2]" 1
914 1 14 LEU QD 1 37 PHE HD1 . . 5.440 4.827 4.622 5.033 . 0 0 "[ . 1 . 2]" 1
915 1 14 LEU QD 1 39 THR H . . 5.230 4.139 3.867 4.507 . 0 0 "[ . 1 . 2]" 1
916 1 14 LEU QD 1 45 ILE HB . . 4.200 2.446 2.184 2.687 . 0 0 "[ . 1 . 2]" 1
917 1 14 LEU QD 1 45 ILE MG . . 3.620 2.277 2.065 2.544 . 0 0 "[ . 1 . 2]" 1
918 1 14 LEU QD 1 45 ILE HG12 . . 4.260 1.931 1.762 2.191 . 0 0 "[ . 1 . 2]" 1
919 1 14 LEU QD 1 45 ILE HG13 . . 4.460 3.231 3.046 3.453 . 0 0 "[ . 1 . 2]" 1
920 1 14 LEU QD 1 45 ILE MD . . 2.370 2.193 1.885 2.384 0.014 10 0 "[ . 1 . 2]" 1
921 1 14 LEU QD 1 53 TRP HZ3 . . 5.350 3.261 2.735 3.656 . 0 0 "[ . 1 . 2]" 1
922 1 14 LEU QD 1 53 TRP HH2 . . 4.180 3.259 2.623 3.828 . 0 0 "[ . 1 . 2]" 1
923 1 15 PRO HB2 1 17 LYS QG . . 5.170 4.526 3.805 5.229 0.059 11 0 "[ . 1 . 2]" 1
924 1 15 PRO QG 1 18 ARG H . . 5.350 4.846 4.210 5.196 . 0 0 "[ . 1 . 2]" 1
925 1 17 LYS H 1 17 LYS QG . . 3.270 2.242 1.977 3.305 0.035 11 0 "[ . 1 . 2]" 1
926 1 17 LYS HA 1 17 LYS QD . . 4.510 3.682 1.983 4.252 . 0 0 "[ . 1 . 2]" 1
927 1 17 LYS HA 1 17 LYS QE . . 4.990 4.457 3.867 5.018 0.028 6 0 "[ . 1 . 2]" 1
928 1 18 ARG H 1 18 ARG QD . . 4.730 4.201 2.592 4.818 0.088 2 0 "[ . 1 . 2]" 1
929 1 18 ARG HA 1 18 ARG QG . . 3.650 2.583 2.345 3.044 . 0 0 "[ . 1 . 2]" 1
930 1 18 ARG HA 1 18 ARG QD . . 4.270 3.437 2.066 4.246 . 0 0 "[ . 1 . 2]" 1
931 1 18 ARG HB2 1 18 ARG QG . . 2.310 2.306 2.161 2.345 0.035 20 0 "[ . 1 . 2]" 1
932 1 19 ILE H 1 40 LYS QE . . 4.540 3.518 3.296 3.850 . 0 0 "[ . 1 . 2]" 1
933 1 20 LYS H 1 20 LYS QE . . 5.000 4.544 4.379 5.048 0.048 18 0 "[ . 1 . 2]" 1
934 1 20 LYS H 1 40 LYS QE . . 5.040 5.056 4.804 5.143 0.103 20 0 "[ . 1 . 2]" 1
935 1 20 LYS HA 1 20 LYS QE . . 4.180 2.418 2.103 3.443 . 0 0 "[ . 1 . 2]" 1
936 1 20 LYS HA 1 40 LYS QE . . 5.130 4.102 3.784 4.467 . 0 0 "[ . 1 . 2]" 1
937 1 20 LYS HB3 1 20 LYS QE . . 3.650 2.168 2.033 2.939 . 0 0 "[ . 1 . 2]" 1
938 1 20 LYS HD2 1 40 LYS QE . . 4.030 2.739 2.594 3.007 . 0 0 "[ . 1 . 2]" 1
939 1 20 LYS QE 1 40 LYS HA . . 5.340 4.040 3.592 4.388 . 0 0 "[ . 1 . 2]" 1
940 1 20 LYS QE 1 40 LYS HG2 . . 4.100 3.630 3.513 3.899 . 0 0 "[ . 1 . 2]" 1
941 1 20 LYS QE 1 40 LYS HD3 . . 4.060 3.783 3.283 4.157 0.097 5 0 "[ . 1 . 2]" 1
942 1 21 SER H 1 21 SER QB . . 3.690 3.168 2.887 3.376 . 0 0 "[ . 1 . 2]" 1
943 1 21 SER QB 1 22 TYR H . . 3.300 2.397 2.154 3.231 . 0 0 "[ . 1 . 2]" 1
944 1 24 ILE H 1 24 ILE QG . . 3.010 2.346 2.234 2.475 . 0 0 "[ . 1 . 2]" 1
945 1 24 ILE QG 1 35 ILE MD . . 3.920 2.407 2.061 2.975 . 0 0 "[ . 1 . 2]" 1
946 1 26 SER QB 1 28 GLU H . . 4.590 2.731 2.250 3.305 . 0 0 "[ . 1 . 2]" 1
947 1 26 SER QB 1 29 ALA MB . . 5.170 3.870 2.934 5.076 . 0 0 "[ . 1 . 2]" 1
948 1 27 ASN H 1 33 LYS QG . . 4.610 3.790 3.176 4.145 . 0 0 "[ . 1 . 2]" 1
949 1 27 ASN QB 1 32 ILE H . . 5.340 4.612 3.966 5.368 0.028 3 0 "[ . 1 . 2]" 1
950 1 27 ASN QB 1 32 ILE HA . . 5.340 3.100 2.360 3.955 . 0 0 "[ . 1 . 2]" 1
951 1 27 ASN QB 1 33 LYS H . . 4.090 3.185 2.792 3.760 . 0 0 "[ . 1 . 2]" 1
952 1 27 ASN QB 1 33 LYS QG . . 5.180 4.203 3.225 4.713 . 0 0 "[ . 1 . 2]" 1
953 1 27 ASN QB 1 33 LYS QD . . 4.660 4.171 3.321 4.689 0.029 19 0 "[ . 1 . 2]" 1
954 1 27 ASN HD21 1 33 LYS QB . . 5.340 2.855 2.050 3.668 . 0 0 "[ . 1 . 2]" 1
955 1 27 ASN HD22 1 33 LYS QB . . 5.340 4.032 3.389 5.174 . 0 0 "[ . 1 . 2]" 1
956 1 28 GLU H 1 28 GLU QB . . 3.140 2.376 2.098 2.604 . 0 0 "[ . 1 . 2]" 1
957 1 28 GLU H 1 28 GLU QG . . 3.810 2.574 1.973 3.913 0.103 9 0 "[ . 1 . 2]" 1
958 1 28 GLU HA 1 28 GLU QG . . 3.700 2.655 2.412 3.345 . 0 0 "[ . 1 . 2]" 1
959 1 31 ASN H 1 31 ASN QD . . 5.220 4.082 2.270 4.573 . 0 0 "[ . 1 . 2]" 1
960 1 31 ASN QB 1 32 ILE MG . . 4.260 2.696 2.392 3.446 . 0 0 "[ . 1 . 2]" 1
961 1 33 LYS H 1 33 LYS QB . . 3.080 2.347 2.297 2.385 . 0 0 "[ . 1 . 2]" 1
962 1 33 LYS H 1 33 LYS QG . . 4.180 3.981 3.945 4.014 . 0 0 "[ . 1 . 2]" 1
963 1 33 LYS HA 1 33 LYS QE . . 5.340 4.652 4.576 4.733 . 0 0 "[ . 1 . 2]" 1
964 1 33 LYS QG 1 35 ILE H . . 4.030 4.029 3.884 4.093 0.063 14 0 "[ . 1 . 2]" 1
965 1 33 LYS QG 1 35 ILE MD . . 4.610 3.285 3.032 3.537 . 0 0 "[ . 1 . 2]" 1
966 1 33 LYS QG 1 49 PRO HD3 . . 4.280 3.935 3.731 4.300 0.020 12 0 "[ . 1 . 2]" 1
967 1 33 LYS QE 1 35 ILE H . . 5.340 4.974 4.555 5.288 . 0 0 "[ . 1 . 2]" 1
968 1 33 LYS QE 1 49 PRO HB3 . . 4.950 3.097 2.589 3.507 . 0 0 "[ . 1 . 2]" 1
969 1 36 ILE MG 1 44 LYS QE . . 4.550 3.755 3.313 3.991 . 0 0 "[ . 1 . 2]" 1
970 1 38 THR MG 1 43 ARG QB . . 4.180 4.294 4.271 4.316 0.136 10 0 "[ . 1 . 2]" 1
971 1 39 THR H 1 43 ARG QB . . 4.210 3.339 3.146 3.570 . 0 0 "[ . 1 . 2]" 1
972 1 39 THR MG 1 43 ARG QB . . 4.220 3.363 3.003 3.798 . 0 0 "[ . 1 . 2]" 1
973 1 40 LYS H 1 40 LYS QE . . 5.340 4.172 4.064 4.287 . 0 0 "[ . 1 . 2]" 1
974 1 41 LYS HA 1 41 LYS QD . . 4.860 2.804 1.959 4.057 . 0 0 "[ . 1 . 2]" 1
975 1 41 LYS HA 1 41 LYS QE . . 5.340 4.064 1.776 5.068 . 0 0 "[ . 1 . 2]" 1
976 1 41 LYS HB2 1 41 LYS QE . . 4.310 3.982 3.190 4.215 . 0 0 "[ . 1 . 2]" 1
977 1 41 LYS QE 1 41 LYS HG2 . . 3.590 2.649 2.356 3.353 . 0 0 "[ . 1 . 2]" 1
978 1 43 ARG H 1 43 ARG QB . . 2.950 2.258 2.094 2.439 . 0 0 "[ . 1 . 2]" 1
979 1 43 ARG H 1 43 ARG QG . . 3.670 3.043 2.287 3.838 0.168 13 0 "[ . 1 . 2]" 1
980 1 43 ARG HA 1 43 ARG QD . . 4.830 3.944 2.038 4.265 . 0 0 "[ . 1 . 2]" 1
981 1 43 ARG QB 1 43 ARG QD . . 3.320 2.256 2.099 2.837 . 0 0 "[ . 1 . 2]" 1
982 1 43 ARG QB 1 45 ILE HG13 . . 4.180 3.888 3.600 4.194 0.014 7 0 "[ . 1 . 2]" 1
983 1 43 ARG QB 1 45 ILE MD . . 4.710 2.388 2.090 2.572 . 0 0 "[ . 1 . 2]" 1
984 1 43 ARG QD 1 45 ILE MD . . 5.330 3.482 2.629 5.091 . 0 0 "[ . 1 . 2]" 1
985 1 44 LYS H 1 44 LYS QE . . 4.980 4.646 4.368 4.995 0.015 2 0 "[ . 1 . 2]" 1
986 1 52 LYS H 1 52 LYS QB . . 3.470 2.226 2.159 2.494 . 0 0 "[ . 1 . 2]" 1
987 1 52 LYS H 1 55 GLN QG . . 5.040 4.311 3.901 4.581 . 0 0 "[ . 1 . 2]" 1
988 1 52 LYS HA 1 52 LYS QD . . 4.520 3.796 1.976 4.262 . 0 0 "[ . 1 . 2]" 1
989 1 52 LYS HA 1 55 GLN QG . . 4.770 2.758 2.007 3.394 . 0 0 "[ . 1 . 2]" 1
990 1 52 LYS QD 1 52 LYS QG . . 2.230 2.078 2.008 2.105 . 0 0 "[ . 1 . 2]" 1
991 1 52 LYS QE 1 52 LYS QG . . 3.190 2.235 2.108 2.376 . 0 0 "[ . 1 . 2]" 1
992 1 55 GLN H 1 55 GLN QG . . 2.940 2.012 1.878 2.062 . 0 0 "[ . 1 . 2]" 1
993 1 56 LYS H 1 56 LYS QG . . 3.830 3.243 2.068 3.908 0.078 16 0 "[ . 1 . 2]" 1
994 1 56 LYS H 1 56 LYS QD . . 5.000 4.094 3.595 4.606 . 0 0 "[ . 1 . 2]" 1
995 1 56 LYS HA 1 56 LYS QG . . 3.470 2.486 2.357 3.031 . 0 0 "[ . 1 . 2]" 1
996 1 56 LYS HA 1 56 LYS QD . . 3.970 3.854 2.137 4.118 0.148 18 0 "[ . 1 . 2]" 1
997 1 56 LYS HA 1 56 LYS QE . . 5.340 4.600 3.990 5.073 . 0 0 "[ . 1 . 2]" 1
998 1 56 LYS HB2 1 56 LYS QD . . 3.180 2.426 2.264 3.271 0.091 12 0 "[ . 1 . 2]" 1
999 1 56 LYS HB2 1 56 LYS QE . . 4.560 3.819 2.040 4.207 . 0 0 "[ . 1 . 2]" 1
1000 1 56 LYS QE 1 56 LYS QG . . 3.340 2.222 2.109 2.781 . 0 0 "[ . 1 . 2]" 1
1001 1 59 LYS H 1 59 LYS QB . . 2.870 2.354 2.122 2.509 . 0 0 "[ . 1 . 2]" 1
1002 1 59 LYS H 1 59 LYS QG . . 3.880 2.823 1.959 3.925 0.045 6 0 "[ . 1 . 2]" 1
1003 1 59 LYS H 1 62 ASP QB . . 5.270 4.808 4.495 5.318 0.048 10 0 "[ . 1 . 2]" 1
1004 1 59 LYS H 1 63 LYS QE . . 5.340 5.291 4.772 5.477 0.137 7 0 "[ . 1 . 2]" 1
1005 1 59 LYS HA 1 59 LYS QD . . 4.520 4.022 2.798 4.290 . 0 0 "[ . 1 . 2]" 1
1006 1 59 LYS HA 1 62 ASP QB . . 4.040 2.999 2.555 3.670 . 0 0 "[ . 1 . 2]" 1
1007 1 59 LYS QB 1 60 HIS H . . 3.900 2.562 2.315 2.777 . 0 0 "[ . 1 . 2]" 1
1008 1 59 LYS QB 1 63 LYS QE . . 5.120 3.090 2.067 4.226 . 0 0 "[ . 1 . 2]" 1
1009 1 59 LYS QD 1 59 LYS QG . . 2.180 2.059 1.999 2.097 . 0 0 "[ . 1 . 2]" 1
1010 1 59 LYS QE 1 59 LYS QG . . 3.150 2.319 2.070 2.795 . 0 0 "[ . 1 . 2]" 1
1011 1 60 HIS H 1 62 ASP QB . . 5.340 4.955 4.564 5.373 0.033 19 0 "[ . 1 . 2]" 1
1012 1 60 HIS H 1 63 LYS QE . . 4.970 4.657 3.790 5.021 0.051 6 0 "[ . 1 . 2]" 1
1013 1 61 LEU HA 1 64 LYS QB . . 4.720 3.299 2.062 4.865 0.145 8 0 "[ . 1 . 2]" 1
1014 1 62 ASP QB 1 64 LYS H . . 5.340 4.954 4.456 5.425 0.085 9 0 "[ . 1 . 2]" 1
1015 1 63 LYS HA 1 63 LYS QD . . 4.640 3.727 2.104 4.494 . 0 0 "[ . 1 . 2]" 1
1016 1 63 LYS HB3 1 63 LYS QD . . 3.030 2.477 2.288 2.841 . 0 0 "[ . 1 . 2]" 1
1017 1 64 LYS H 1 64 LYS QB . . 3.210 2.678 2.154 3.250 0.040 17 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 6
_Distance_constraint_stats_list.Viol_count 4
_Distance_constraint_stats_list.Viol_total 1.148
_Distance_constraint_stats_list.Viol_max 0.023
_Distance_constraint_stats_list.Viol_rms 0.0028
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0005
_Distance_constraint_stats_list.Viol_average_violations_only 0.0144
_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 5 CYS 0.057 0.023 20 0 "[ . 1 . 2]"
1 6 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 30 CYS 0.057 0.023 20 0 "[ . 1 . 2]"
1 46 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 5 CYS SG 1 30 CYS SG . . 2.100 2.035 2.021 2.043 . 0 0 "[ . 1 . 2]" 2
2 1 5 CYS SG 1 30 CYS CB . . 3.100 3.082 3.022 3.123 0.023 20 0 "[ . 1 . 2]" 2
3 1 5 CYS CB 1 30 CYS SG . . 3.100 3.063 3.012 3.097 . 0 0 "[ . 1 . 2]" 2
4 1 6 CYS SG 1 46 CYS SG . . 2.100 2.026 2.013 2.035 . 0 0 "[ . 1 . 2]" 2
5 1 6 CYS SG 1 46 CYS CB . . 3.100 3.053 3.002 3.085 . 0 0 "[ . 1 . 2]" 2
6 1 6 CYS CB 1 46 CYS SG . . 3.100 3.015 2.988 3.039 . 0 0 "[ . 1 . 2]" 2
stop_
save_
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