NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | in_recoord | stage | program | type | subtype | subsubtype |
|
|
381425 |
1j0t   |
5633 | cing | recoord | 4-filtered-FRED | Wattos | check | violation | distance |
data_1j0t
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 1861
_Distance_constraint_stats_list.Viol_count 699
_Distance_constraint_stats_list.Viol_total 453.791
_Distance_constraint_stats_list.Viol_max 0.351
_Distance_constraint_stats_list.Viol_rms 0.0164
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0024
_Distance_constraint_stats_list.Viol_average_violations_only 0.0649
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 2 SER 0.018 0.018 4 0 "[ . 1]"
1 3 PHE 0.154 0.057 5 0 "[ . 1]"
1 4 ILE 2.365 0.154 5 0 "[ . 1]"
1 5 ASP 2.947 0.351 7 0 "[ . 1]"
1 6 ASN 1.284 0.133 7 0 "[ . 1]"
1 7 THR 1.129 0.351 7 0 "[ . 1]"
1 8 CYS 0.501 0.084 7 0 "[ . 1]"
1 9 ARG 0.139 0.081 10 0 "[ . 1]"
1 10 GLY 0.284 0.048 1 0 "[ . 1]"
1 11 VAL 0.067 0.024 2 0 "[ . 1]"
1 12 MET 0.506 0.100 6 0 "[ . 1]"
1 13 GLY 0.506 0.100 6 0 "[ . 1]"
1 14 ASN 0.352 0.083 10 0 "[ . 1]"
1 15 ARG 0.058 0.048 10 0 "[ . 1]"
1 16 ASP 0.406 0.050 4 0 "[ . 1]"
1 17 ILE 1.932 0.158 1 0 "[ . 1]"
1 18 TYR 0.067 0.048 10 0 "[ . 1]"
1 19 LYS 0.038 0.019 7 0 "[ . 1]"
1 20 LYS 2.332 0.203 4 0 "[ . 1]"
1 21 VAL 2.096 0.325 6 0 "[ . 1]"
1 22 VAL 0.416 0.115 6 0 "[ . 1]"
1 23 ARG 0.178 0.095 7 0 "[ . 1]"
1 24 VAL 1.983 0.325 6 0 "[ . 1]"
1 25 CYS 0.161 0.138 9 0 "[ . 1]"
1 26 GLU 0.003 0.002 7 0 "[ . 1]"
1 27 ASP 0.147 0.101 2 0 "[ . 1]"
1 28 CYS 0.003 0.002 7 0 "[ . 1]"
1 29 THR 0.036 0.020 4 0 "[ . 1]"
1 30 ASN 1.073 0.146 8 0 "[ . 1]"
1 31 ILE 0.554 0.110 9 0 "[ . 1]"
1 32 PHE 0.997 0.095 4 0 "[ . 1]"
1 33 ARG 1.015 0.095 4 0 "[ . 1]"
1 34 LEU 2.639 0.174 5 0 "[ . 1]"
1 35 PRO 3.608 0.174 5 0 "[ . 1]"
1 36 GLY 1.186 0.087 4 0 "[ . 1]"
1 37 LEU 0.229 0.063 9 0 "[ . 1]"
1 38 ASP 0.402 0.138 9 0 "[ . 1]"
1 39 GLY 0.022 0.022 10 0 "[ . 1]"
1 40 MET 0.510 0.082 5 0 "[ . 1]"
1 41 CYS 1.291 0.145 6 0 "[ . 1]"
1 42 ARG 0.655 0.149 9 0 "[ . 1]"
1 43 ASN 2.886 0.193 9 0 "[ . 1]"
1 44 ARG 6.895 0.329 10 0 "[ . 1]"
1 45 CYS 0.392 0.060 6 0 "[ . 1]"
1 46 PHE 0.393 0.115 6 0 "[ . 1]"
1 47 TYR 1.435 0.300 10 0 "[ . 1]"
1 48 ASN 0.098 0.033 4 0 "[ . 1]"
1 49 GLU 0.000 0.000 . 0 "[ . 1]"
1 50 TRP 3.475 0.329 10 0 "[ . 1]"
1 51 PHE 2.842 0.275 7 0 "[ . 1]"
1 52 LEU 1.065 0.120 10 0 "[ . 1]"
1 53 ILE 0.283 0.078 5 0 "[ . 1]"
1 54 CYS 1.182 0.147 1 0 "[ . 1]"
1 55 LEU 0.725 0.121 5 0 "[ . 1]"
1 56 LYS 0.011 0.011 10 0 "[ . 1]"
1 57 ALA 0.978 0.147 1 0 "[ . 1]"
1 58 ALA 0.220 0.088 10 0 "[ . 1]"
1 59 ASN 1.191 0.128 10 0 "[ . 1]"
1 60 ARG 0.674 0.089 2 0 "[ . 1]"
1 61 GLU 2.777 0.235 7 0 "[ . 1]"
1 62 ASP 0.283 0.083 7 0 "[ . 1]"
1 63 GLU 1.995 0.235 7 0 "[ . 1]"
1 64 ILE 1.016 0.118 2 0 "[ . 1]"
1 65 GLU 0.245 0.070 4 0 "[ . 1]"
1 66 LYS 2.313 0.204 9 0 "[ . 1]"
1 67 PHE 2.733 0.275 7 0 "[ . 1]"
1 68 ARG 0.000 0.000 . 0 "[ . 1]"
1 69 VAL 2.850 0.259 1 0 "[ . 1]"
1 70 TRP 5.338 0.259 1 0 "[ . 1]"
1 71 ILE 1.991 0.162 4 0 "[ . 1]"
1 72 SER 0.590 0.093 9 0 "[ . 1]"
1 73 ILE 0.582 0.093 9 0 "[ . 1]"
1 74 LEU 0.948 0.083 10 0 "[ . 1]"
1 75 ASN 0.818 0.082 8 0 "[ . 1]"
1 76 ALA 1.286 0.182 10 0 "[ . 1]"
1 77 GLY 0.967 0.182 10 0 "[ . 1]"
1 78 GLN 0.161 0.070 5 0 "[ . 1]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 2 SER H 1 3 PHE H . . 4.620 3.948 2.991 4.638 0.018 4 0 "[ . 1]" 1
2 1 2 SER HA 1 3 PHE QB . . 5.970 4.245 3.911 4.785 . 0 0 "[ . 1]" 1
3 1 2 SER QB 1 3 PHE H . . 5.250 3.084 1.754 3.908 . 0 0 "[ . 1]" 1
4 1 3 PHE H 1 4 ILE H . . 3.890 2.570 1.706 3.873 . 0 0 "[ . 1]" 1
5 1 3 PHE HA 1 4 ILE H . . 3.160 2.988 2.204 3.217 0.057 5 0 "[ . 1]" 1
6 1 3 PHE HA 1 4 ILE MD . . 7.050 4.299 2.850 5.930 . 0 0 "[ . 1]" 1
7 1 3 PHE QB 1 4 ILE H . . 5.250 3.616 1.570 4.069 . 0 0 "[ . 1]" 1
8 1 4 ILE H 1 4 ILE HB . . 3.370 3.428 3.302 3.506 0.136 7 0 "[ . 1]" 1
9 1 4 ILE H 1 4 ILE HG12 . . 3.790 3.227 2.478 3.790 . 0 0 "[ . 1]" 1
10 1 4 ILE H 1 4 ILE HG13 . . 3.790 1.927 1.442 2.570 . 0 0 "[ . 1]" 1
11 1 4 ILE H 1 4 ILE MD . . 5.280 2.001 1.336 3.324 . 0 0 "[ . 1]" 1
12 1 4 ILE H 1 5 ASP H . . 3.740 3.810 3.774 3.862 0.122 7 0 "[ . 1]" 1
13 1 4 ILE HA 1 5 ASP H . . 3.160 3.247 3.221 3.314 0.154 5 0 "[ . 1]" 1
14 1 4 ILE HB 1 5 ASP H . . 4.000 1.375 1.299 1.559 . 0 0 "[ . 1]" 1
15 1 4 ILE HG12 1 5 ASP H . . 4.520 3.621 3.331 3.866 . 0 0 "[ . 1]" 1
16 1 4 ILE HG13 1 5 ASP H . . 4.520 3.802 2.965 4.197 . 0 0 "[ . 1]" 1
17 1 4 ILE MD 1 5 ASP H . . 5.340 2.121 1.581 2.636 . 0 0 "[ . 1]" 1
18 1 4 ILE MD 1 5 ASP HA . . 6.580 3.125 2.786 3.593 . 0 0 "[ . 1]" 1
19 1 4 ILE MD 1 5 ASP HB2 . . 7.260 4.976 4.347 5.597 . 0 0 "[ . 1]" 1
20 1 4 ILE MD 1 5 ASP HB3 . . 7.260 4.550 4.261 4.912 . 0 0 "[ . 1]" 1
21 1 4 ILE MD 1 6 ASN H . . 5.860 4.368 3.921 4.692 . 0 0 "[ . 1]" 1
22 1 5 ASP H 1 6 ASN H . . 3.890 3.928 3.859 4.023 0.133 7 0 "[ . 1]" 1
23 1 5 ASP HA 1 6 ASN H . . 3.110 2.279 2.170 3.195 0.085 7 0 "[ . 1]" 1
24 1 5 ASP HA 1 7 THR H . . 3.420 3.478 3.401 3.771 0.351 7 0 "[ . 1]" 1
25 1 5 ASP HA 1 43 ASN HA . . 5.450 4.697 4.053 5.489 0.039 7 0 "[ . 1]" 1
26 1 5 ASP HA 1 43 ASN HD21 . . 4.830 3.438 2.188 4.849 0.019 1 0 "[ . 1]" 1
27 1 5 ASP HA 1 43 ASN HD22 . . 4.830 3.046 2.086 4.905 0.075 10 0 "[ . 1]" 1
28 1 5 ASP HA 1 43 ASN QD . . 4.620 2.834 1.925 4.225 . 0 0 "[ . 1]" 1
29 1 5 ASP HB2 1 43 ASN HA . . 5.610 5.190 4.551 5.742 0.132 10 0 "[ . 1]" 1
30 1 5 ASP HB3 1 43 ASN HA . . 5.610 5.170 4.270 5.618 0.008 8 0 "[ . 1]" 1
31 1 6 ASN H 1 6 ASN HB2 . . 3.740 3.654 2.679 3.819 0.079 9 0 "[ . 1]" 1
32 1 6 ASN H 1 6 ASN HB3 . . 3.740 3.764 3.552 3.861 0.121 10 0 "[ . 1]" 1
33 1 6 ASN H 1 6 ASN HD21 . . 4.830 1.854 1.513 3.104 . 0 0 "[ . 1]" 1
34 1 6 ASN H 1 6 ASN HD22 . . 4.830 2.962 2.715 3.591 . 0 0 "[ . 1]" 1
35 1 6 ASN H 1 6 ASN QD . . 4.620 1.821 1.507 2.929 . 0 0 "[ . 1]" 1
36 1 6 ASN H 1 7 THR H . . 3.580 2.886 2.787 3.349 . 0 0 "[ . 1]" 1
37 1 6 ASN H 1 7 THR MG . . 6.060 4.151 3.711 4.920 . 0 0 "[ . 1]" 1
38 1 6 ASN HA 1 7 THR H . . 3.480 3.026 2.857 3.094 . 0 0 "[ . 1]" 1
39 1 6 ASN HA 1 7 THR MG . . 6.790 4.299 3.960 4.862 . 0 0 "[ . 1]" 1
40 1 6 ASN HA 1 43 ASN HA . . 5.140 4.325 3.479 5.149 0.009 10 0 "[ . 1]" 1
41 1 6 ASN HA 1 44 ARG HA . . 4.780 3.526 3.054 3.900 . 0 0 "[ . 1]" 1
42 1 6 ASN HB2 1 11 VAL QG . . 8.890 5.798 5.428 6.329 . 0 0 "[ . 1]" 1
43 1 6 ASN HB2 1 18 TYR QE . . 8.020 5.645 4.751 6.643 . 0 0 "[ . 1]" 1
44 1 6 ASN HB2 1 45 CYS HA . . 5.610 5.292 4.824 5.629 0.019 9 0 "[ . 1]" 1
45 1 6 ASN HB3 1 11 VAL QG . . 8.890 5.180 4.953 5.437 . 0 0 "[ . 1]" 1
46 1 6 ASN HB3 1 18 TYR QE . . 8.020 4.218 3.508 5.172 . 0 0 "[ . 1]" 1
47 1 6 ASN HB3 1 45 CYS HA . . 5.610 4.187 3.643 4.801 . 0 0 "[ . 1]" 1
48 1 6 ASN QB 1 7 THR H . . 4.940 3.818 3.777 3.896 . 0 0 "[ . 1]" 1
49 1 6 ASN QB 1 11 VAL QG . . 8.790 4.833 4.655 5.073 . 0 0 "[ . 1]" 1
50 1 6 ASN QB 1 45 CYS HA . . 5.440 4.032 3.541 4.547 . 0 0 "[ . 1]" 1
51 1 6 ASN HD21 1 44 ARG QB . . 6.190 4.820 4.546 5.267 . 0 0 "[ . 1]" 1
52 1 6 ASN HD22 1 44 ARG QB . . 6.190 5.473 5.424 5.543 . 0 0 "[ . 1]" 1
53 1 6 ASN QD 1 44 ARG QB . . 6.060 4.517 4.349 4.782 . 0 0 "[ . 1]" 1
54 1 6 ASN QD 1 45 CYS H . . 5.390 2.854 2.002 4.221 . 0 0 "[ . 1]" 1
55 1 7 THR H 1 8 CYS H . . 3.840 3.721 3.012 3.924 0.084 7 0 "[ . 1]" 1
56 1 7 THR HA 1 8 CYS H . . 3.420 2.545 2.401 3.074 . 0 0 "[ . 1]" 1
57 1 7 THR HA 1 44 ARG HA . . 5.760 5.725 5.189 6.027 0.267 7 0 "[ . 1]" 1
58 1 7 THR HB 1 44 ARG HA . . 5.190 5.007 4.739 5.219 0.029 9 0 "[ . 1]" 1
59 1 7 THR HB 1 45 CYS QB . . 6.550 4.646 4.201 5.159 . 0 0 "[ . 1]" 1
60 1 7 THR MG 1 8 CYS H . . 5.650 3.950 3.202 4.244 . 0 0 "[ . 1]" 1
61 1 8 CYS H 1 8 CYS HB2 . . 3.790 2.242 2.072 2.466 . 0 0 "[ . 1]" 1
62 1 8 CYS H 1 8 CYS HB3 . . 3.790 3.525 3.413 3.672 . 0 0 "[ . 1]" 1
63 1 8 CYS H 1 8 CYS QB . . 3.590 2.218 2.055 2.430 . 0 0 "[ . 1]" 1
64 1 8 CYS H 1 9 ARG H . . 4.520 4.380 4.028 4.601 0.081 10 0 "[ . 1]" 1
65 1 8 CYS H 1 11 VAL QG . . 7.280 4.042 3.481 4.497 . 0 0 "[ . 1]" 1
66 1 8 CYS H 1 45 CYS QB . . 5.300 3.154 2.571 3.826 . 0 0 "[ . 1]" 1
67 1 8 CYS HA 1 9 ARG H . . 3.740 2.661 2.163 3.119 . 0 0 "[ . 1]" 1
68 1 8 CYS HA 1 9 ARG HA . . 5.300 4.617 4.421 4.875 . 0 0 "[ . 1]" 1
69 1 8 CYS HA 1 9 ARG QB . . 6.080 3.848 3.731 4.019 . 0 0 "[ . 1]" 1
70 1 8 CYS HA 1 11 VAL HB . . 5.090 4.823 4.489 5.114 0.024 2 0 "[ . 1]" 1
71 1 8 CYS HA 1 11 VAL QG . . 8.580 4.352 3.728 4.878 . 0 0 "[ . 1]" 1
72 1 8 CYS HA 1 45 CYS HA . . 5.240 4.433 4.028 4.734 . 0 0 "[ . 1]" 1
73 1 8 CYS HA 1 45 CYS HB2 . . 4.520 2.862 2.337 3.522 . 0 0 "[ . 1]" 1
74 1 8 CYS HA 1 45 CYS HB3 . . 4.520 3.761 3.407 4.279 . 0 0 "[ . 1]" 1
75 1 8 CYS HA 1 45 CYS QB . . 4.350 2.772 2.299 3.364 . 0 0 "[ . 1]" 1
76 1 8 CYS HA 1 74 LEU QB . . 6.290 3.495 3.034 3.914 . 0 0 "[ . 1]" 1
77 1 8 CYS HA 1 74 LEU QD . . 8.700 4.538 4.177 4.976 . 0 0 "[ . 1]" 1
78 1 8 CYS HB2 1 9 ARG H . . 4.570 3.485 2.533 4.422 . 0 0 "[ . 1]" 1
79 1 8 CYS HB2 1 10 GLY H . . 4.520 4.481 4.197 4.558 0.038 1 0 "[ . 1]" 1
80 1 8 CYS HB2 1 11 VAL H . . 4.260 3.793 3.156 4.220 . 0 0 "[ . 1]" 1
81 1 8 CYS HB2 1 11 VAL HB . . 4.310 2.803 1.898 3.325 . 0 0 "[ . 1]" 1
82 1 8 CYS HB2 1 11 VAL MG1 . . 7.470 2.724 1.940 4.210 . 0 0 "[ . 1]" 1
83 1 8 CYS HB2 1 11 VAL MG2 . . 7.470 3.732 2.957 4.271 . 0 0 "[ . 1]" 1
84 1 8 CYS HB2 1 11 VAL QG . . 7.800 2.551 1.934 2.937 . 0 0 "[ . 1]" 1
85 1 8 CYS HB2 1 45 CYS HB2 . . 7.480 4.157 3.676 4.765 . 0 0 "[ . 1]" 1
86 1 8 CYS HB2 1 45 CYS HB3 . . 7.480 5.588 5.268 5.983 . 0 0 "[ . 1]" 1
87 1 8 CYS HB2 1 74 LEU HB2 . . 5.350 5.197 4.600 5.408 0.058 7 0 "[ . 1]" 1
88 1 8 CYS HB2 1 74 LEU HB3 . . 5.350 4.180 3.461 4.873 . 0 0 "[ . 1]" 1
89 1 8 CYS HB2 1 74 LEU MD1 . . 9.770 5.196 4.707 5.637 . 0 0 "[ . 1]" 1
90 1 8 CYS HB2 1 74 LEU MD2 . . 9.770 4.923 3.735 6.346 . 0 0 "[ . 1]" 1
91 1 8 CYS HB3 1 9 ARG H . . 4.570 2.239 1.362 3.565 . 0 0 "[ . 1]" 1
92 1 8 CYS HB3 1 10 GLY H . . 4.520 2.924 2.540 3.338 . 0 0 "[ . 1]" 1
93 1 8 CYS HB3 1 11 VAL H . . 4.260 2.511 2.366 2.862 . 0 0 "[ . 1]" 1
94 1 8 CYS HB3 1 11 VAL HB . . 4.310 2.381 2.020 2.650 . 0 0 "[ . 1]" 1
95 1 8 CYS HB3 1 11 VAL MG1 . . 7.470 2.772 1.974 4.024 . 0 0 "[ . 1]" 1
96 1 8 CYS HB3 1 11 VAL MG2 . . 7.470 3.767 1.959 4.290 . 0 0 "[ . 1]" 1
97 1 8 CYS HB3 1 11 VAL QG . . 7.800 2.517 1.955 3.194 . 0 0 "[ . 1]" 1
98 1 8 CYS HB3 1 45 CYS HB2 . . 7.480 4.598 4.288 5.111 . 0 0 "[ . 1]" 1
99 1 8 CYS HB3 1 45 CYS HB3 . . 7.480 5.630 5.208 5.876 . 0 0 "[ . 1]" 1
100 1 8 CYS HB3 1 74 LEU HB2 . . 5.350 3.855 3.008 4.267 . 0 0 "[ . 1]" 1
101 1 8 CYS HB3 1 74 LEU HB3 . . 5.350 2.693 2.035 3.251 . 0 0 "[ . 1]" 1
102 1 8 CYS HB3 1 74 LEU MD1 . . 9.770 4.388 3.884 4.735 . 0 0 "[ . 1]" 1
103 1 8 CYS HB3 1 74 LEU MD2 . . 9.770 3.861 2.913 4.987 . 0 0 "[ . 1]" 1
104 1 8 CYS QB 1 9 ARG H . . 4.400 2.196 1.360 3.414 . 0 0 "[ . 1]" 1
105 1 8 CYS QB 1 11 VAL H . . 4.080 2.467 2.343 2.802 . 0 0 "[ . 1]" 1
106 1 8 CYS QB 1 11 VAL HA . . 5.870 3.995 3.799 4.284 . 0 0 "[ . 1]" 1
107 1 8 CYS QB 1 11 VAL HB . . 4.050 2.193 1.829 2.484 . 0 0 "[ . 1]" 1
108 1 8 CYS QB 1 11 VAL QG . . 5.840 2.185 1.826 2.639 . 0 0 "[ . 1]" 1
109 1 8 CYS QB 1 18 TYR QD . . 8.590 4.646 3.697 5.393 . 0 0 "[ . 1]" 1
110 1 8 CYS QB 1 18 TYR QE . . 8.640 4.509 3.221 5.542 . 0 0 "[ . 1]" 1
111 1 8 CYS QB 1 45 CYS QB . . 6.370 3.728 3.409 4.168 . 0 0 "[ . 1]" 1
112 1 8 CYS QB 1 74 LEU HA . . 6.230 4.133 3.574 4.508 . 0 0 "[ . 1]" 1
113 1 8 CYS QB 1 74 LEU QB . . 5.000 2.594 1.990 3.049 . 0 0 "[ . 1]" 1
114 1 8 CYS QB 1 74 LEU QD . . 7.970 3.385 2.784 3.992 . 0 0 "[ . 1]" 1
115 1 8 CYS QB 1 75 ASN HA . . 6.340 4.880 4.113 5.552 . 0 0 "[ . 1]" 1
116 1 9 ARG H 1 9 ARG HB2 . . 4.150 3.061 2.381 3.782 . 0 0 "[ . 1]" 1
117 1 9 ARG H 1 9 ARG HB3 . . 4.150 3.224 2.947 3.609 . 0 0 "[ . 1]" 1
118 1 9 ARG H 1 9 ARG QB . . 3.760 2.709 2.315 3.014 . 0 0 "[ . 1]" 1
119 1 9 ARG H 1 10 GLY H . . 4.050 1.814 1.424 2.228 . 0 0 "[ . 1]" 1
120 1 9 ARG H 1 10 GLY QA . . 5.350 3.774 3.602 3.960 . 0 0 "[ . 1]" 1
121 1 9 ARG H 1 45 CYS QB . . 5.710 5.061 4.971 5.145 . 0 0 "[ . 1]" 1
122 1 9 ARG HA 1 10 GLY H . . 4.150 3.424 3.111 3.615 . 0 0 "[ . 1]" 1
123 1 9 ARG HA 1 11 VAL H . . 4.360 4.102 3.925 4.283 . 0 0 "[ . 1]" 1
124 1 9 ARG HA 1 75 ASN HA . . 5.350 5.147 4.822 5.340 . 0 0 "[ . 1]" 1
125 1 9 ARG HB2 1 75 ASN HA . . 5.190 3.206 2.331 4.112 . 0 0 "[ . 1]" 1
126 1 9 ARG HB2 1 76 ALA MB . . 6.380 4.643 3.795 5.178 . 0 0 "[ . 1]" 1
127 1 9 ARG HB2 1 77 GLY QA . . 6.500 4.522 2.940 5.894 . 0 0 "[ . 1]" 1
128 1 9 ARG HB3 1 75 ASN HA . . 5.190 3.217 2.130 3.944 . 0 0 "[ . 1]" 1
129 1 9 ARG HB3 1 76 ALA MB . . 6.380 3.458 2.520 4.121 . 0 0 "[ . 1]" 1
130 1 9 ARG HB3 1 77 GLY QA . . 6.500 3.706 1.820 5.711 . 0 0 "[ . 1]" 1
131 1 9 ARG QB 1 10 GLY H . . 4.940 3.114 2.242 3.681 . 0 0 "[ . 1]" 1
132 1 9 ARG QB 1 75 ASN HA . . 4.790 2.679 2.116 3.373 . 0 0 "[ . 1]" 1
133 1 9 ARG QB 1 76 ALA HA . . 6.190 4.919 4.490 5.329 . 0 0 "[ . 1]" 1
134 1 9 ARG QB 1 76 ALA MB . . 6.200 3.362 2.489 3.905 . 0 0 "[ . 1]" 1
135 1 9 ARG QB 1 77 GLY QA . . 6.290 3.464 1.811 5.077 . 0 0 "[ . 1]" 1
136 1 9 ARG HE 1 9 ARG HG2 . . 4.360 2.699 2.341 3.339 . 0 0 "[ . 1]" 1
137 1 9 ARG HE 1 9 ARG HG3 . . 4.360 3.174 2.419 3.885 . 0 0 "[ . 1]" 1
138 1 9 ARG QG 1 75 ASN HA . . 6.080 4.384 3.378 5.337 . 0 0 "[ . 1]" 1
139 1 9 ARG QG 1 77 GLY H . . 5.460 3.936 1.703 4.587 . 0 0 "[ . 1]" 1
140 1 9 ARG QG 1 78 GLN H . . 5.720 2.789 1.892 4.964 . 0 0 "[ . 1]" 1
141 1 9 ARG QD 1 10 GLY QA . . 6.610 3.993 3.091 4.433 . 0 0 "[ . 1]" 1
142 1 9 ARG QD 1 12 MET QB . . 8.270 5.767 5.119 6.327 . 0 0 "[ . 1]" 1
143 1 9 ARG QD 1 12 MET HG2 . . 7.120 5.042 4.093 5.994 . 0 0 "[ . 1]" 1
144 1 9 ARG QD 1 12 MET HG3 . . 7.120 5.692 5.319 6.142 . 0 0 "[ . 1]" 1
145 1 9 ARG QD 1 75 ASN HA . . 6.440 5.344 4.911 5.745 . 0 0 "[ . 1]" 1
146 1 9 ARG QD 1 76 ALA HA . . 6.700 5.826 5.243 6.019 . 0 0 "[ . 1]" 1
147 1 9 ARG QD 1 76 ALA MB . . 6.950 3.646 2.586 4.527 . 0 0 "[ . 1]" 1
148 1 9 ARG QD 1 77 GLY QA . . 7.650 3.198 1.670 6.153 . 0 0 "[ . 1]" 1
149 1 10 GLY H 1 11 VAL H . . 3.940 2.029 1.593 2.478 . 0 0 "[ . 1]" 1
150 1 10 GLY H 1 75 ASN H . . 4.570 4.502 4.293 4.618 0.048 1 0 "[ . 1]" 1
151 1 10 GLY H 1 75 ASN HA . . 4.260 3.971 3.547 4.273 0.013 6 0 "[ . 1]" 1
152 1 10 GLY H 1 76 ALA MB . . 6.220 3.888 2.756 4.421 . 0 0 "[ . 1]" 1
153 1 10 GLY HA2 1 12 MET ME . . 7.940 4.047 2.292 5.564 . 0 0 "[ . 1]" 1
154 1 10 GLY HA2 1 76 ALA MB . . 6.060 3.164 1.934 4.003 . 0 0 "[ . 1]" 1
155 1 10 GLY HA3 1 12 MET ME . . 7.940 5.284 3.816 6.620 . 0 0 "[ . 1]" 1
156 1 10 GLY HA3 1 76 ALA MB . . 6.060 2.854 1.827 3.429 . 0 0 "[ . 1]" 1
157 1 10 GLY QA 1 12 MET QB . . 7.860 4.493 3.564 5.270 . 0 0 "[ . 1]" 1
158 1 10 GLY QA 1 12 MET ME . . 7.750 3.912 2.274 5.233 . 0 0 "[ . 1]" 1
159 1 10 GLY QA 1 13 GLY H . . 4.940 3.094 2.777 3.490 . 0 0 "[ . 1]" 1
160 1 10 GLY QA 1 14 ASN H . . 4.890 3.797 3.446 4.349 . 0 0 "[ . 1]" 1
161 1 10 GLY QA 1 74 LEU HA . . 6.080 2.238 1.746 2.919 . 0 0 "[ . 1]" 1
162 1 10 GLY QA 1 74 LEU QD . . 8.080 3.523 3.062 4.396 . 0 0 "[ . 1]" 1
163 1 10 GLY QA 1 76 ALA MB . . 5.650 2.652 1.670 3.167 . 0 0 "[ . 1]" 1
164 1 10 GLY QA 1 78 GLN QB . . 7.490 5.747 5.607 5.942 . 0 0 "[ . 1]" 1
165 1 11 VAL H 1 11 VAL HB . . 3.530 2.451 2.300 2.579 . 0 0 "[ . 1]" 1
166 1 11 VAL H 1 12 MET H . . 3.790 2.827 2.620 3.014 . 0 0 "[ . 1]" 1
167 1 11 VAL H 1 14 ASN QB . . 5.660 4.753 4.572 4.953 . 0 0 "[ . 1]" 1
168 1 11 VAL H 1 74 LEU HA . . 4.260 3.236 2.542 4.042 . 0 0 "[ . 1]" 1
169 1 11 VAL HA 1 14 ASN HB2 . . 4.620 2.686 2.219 4.136 . 0 0 "[ . 1]" 1
170 1 11 VAL HA 1 14 ASN HB3 . . 4.620 3.929 2.594 4.306 . 0 0 "[ . 1]" 1
171 1 11 VAL HA 1 14 ASN QD . . 5.550 2.631 1.218 4.270 . 0 0 "[ . 1]" 1
172 1 11 VAL HA 1 17 ILE HB . . 5.660 5.231 4.975 5.609 . 0 0 "[ . 1]" 1
173 1 11 VAL HA 1 18 TYR QD . . 8.170 4.116 3.496 4.743 . 0 0 "[ . 1]" 1
174 1 11 VAL HA 1 74 LEU HA . . 4.570 3.930 2.584 4.590 0.020 6 0 "[ . 1]" 1
175 1 11 VAL HA 1 74 LEU MD1 . . 5.540 4.177 3.825 4.437 . 0 0 "[ . 1]" 1
176 1 11 VAL HA 1 74 LEU MD2 . . 5.540 2.198 1.716 3.387 . 0 0 "[ . 1]" 1
177 1 11 VAL HA 1 74 LEU QD . . 5.190 2.167 1.714 3.172 . 0 0 "[ . 1]" 1
178 1 11 VAL MG1 1 12 MET HA . . 6.270 3.337 3.043 3.607 . 0 0 "[ . 1]" 1
179 1 11 VAL MG1 1 14 ASN HB2 . . 8.000 5.108 3.612 6.545 . 0 0 "[ . 1]" 1
180 1 11 VAL MG1 1 14 ASN HB3 . . 8.000 6.236 5.130 6.694 . 0 0 "[ . 1]" 1
181 1 11 VAL MG1 1 18 TYR QD . . 8.730 4.113 2.246 4.759 . 0 0 "[ . 1]" 1
182 1 11 VAL MG1 1 18 TYR QE . . 9.150 4.241 3.019 4.796 . 0 0 "[ . 1]" 1
183 1 11 VAL MG2 1 12 MET HA . . 6.270 3.912 3.485 5.364 . 0 0 "[ . 1]" 1
184 1 11 VAL MG2 1 14 ASN HB2 . . 8.000 3.864 3.370 4.810 . 0 0 "[ . 1]" 1
185 1 11 VAL MG2 1 14 ASN HB3 . . 8.000 4.814 4.010 5.280 . 0 0 "[ . 1]" 1
186 1 11 VAL MG2 1 18 TYR QD . . 8.730 2.119 1.834 2.433 . 0 0 "[ . 1]" 1
187 1 11 VAL MG2 1 18 TYR QE . . 9.150 2.886 2.327 3.435 . 0 0 "[ . 1]" 1
188 1 11 VAL QG 1 12 MET H . . 6.500 2.164 1.405 2.741 . 0 0 "[ . 1]" 1
189 1 11 VAL QG 1 12 MET HA . . 5.750 3.117 2.996 3.244 . 0 0 "[ . 1]" 1
190 1 11 VAL QG 1 14 ASN HA . . 9.460 5.791 5.370 6.188 . 0 0 "[ . 1]" 1
191 1 11 VAL QG 1 14 ASN QB . . 6.720 3.536 3.127 3.850 . 0 0 "[ . 1]" 1
192 1 11 VAL QG 1 15 ARG HA . . 7.640 4.004 3.601 4.548 . 0 0 "[ . 1]" 1
193 1 11 VAL QG 1 15 ARG QG . . 8.910 4.137 3.507 5.735 . 0 0 "[ . 1]" 1
194 1 11 VAL QG 1 17 ILE HB . . 8.890 5.200 4.473 5.799 . 0 0 "[ . 1]" 1
195 1 11 VAL QG 1 18 TYR HA . . 8.470 4.305 3.911 4.865 . 0 0 "[ . 1]" 1
196 1 11 VAL QG 1 18 TYR HB2 . . 8.010 2.595 2.015 3.035 . 0 0 "[ . 1]" 1
197 1 11 VAL QG 1 18 TYR HB3 . . 8.010 3.580 2.861 3.999 . 0 0 "[ . 1]" 1
198 1 11 VAL QG 1 18 TYR QB . . 8.130 2.535 1.977 2.943 . 0 0 "[ . 1]" 1
199 1 11 VAL QG 1 18 TYR QD . . 8.190 2.096 1.832 2.425 . 0 0 "[ . 1]" 1
200 1 11 VAL QG 1 18 TYR QE . . 8.690 2.810 2.318 3.318 . 0 0 "[ . 1]" 1
201 1 11 VAL QG 1 74 LEU HA . . 7.290 4.478 3.613 5.203 . 0 0 "[ . 1]" 1
202 1 12 MET H 1 12 MET QG . . 4.670 2.319 1.886 2.893 . 0 0 "[ . 1]" 1
203 1 12 MET HA 1 12 MET HG2 . . 4.460 3.782 2.864 4.227 . 0 0 "[ . 1]" 1
204 1 12 MET HA 1 12 MET HG3 . . 4.460 3.569 2.337 4.244 . 0 0 "[ . 1]" 1
205 1 12 MET HA 1 12 MET ME . . 5.910 4.048 1.711 4.708 . 0 0 "[ . 1]" 1
206 1 12 MET HA 1 13 GLY H . . 3.480 3.530 3.474 3.580 0.100 6 0 "[ . 1]" 1
207 1 12 MET QB 1 13 GLY H . . 5.150 3.337 1.894 3.682 . 0 0 "[ . 1]" 1
208 1 12 MET HG2 1 13 GLY QA . . 7.120 4.570 3.044 6.195 . 0 0 "[ . 1]" 1
209 1 12 MET HG3 1 13 GLY QA . . 7.120 3.982 2.985 5.916 . 0 0 "[ . 1]" 1
210 1 12 MET QG 1 13 GLY H . . 5.140 2.407 1.737 4.433 . 0 0 "[ . 1]" 1
211 1 12 MET QG 1 13 GLY QA . . 7.000 3.526 2.943 5.385 . 0 0 "[ . 1]" 1
212 1 12 MET ME 1 13 GLY H . . 6.320 3.551 2.475 4.554 . 0 0 "[ . 1]" 1
213 1 12 MET ME 1 15 ARG QD . . 7.420 5.100 4.512 5.425 . 0 0 "[ . 1]" 1
214 1 13 GLY H 1 14 ASN H . . 3.530 2.440 2.240 2.928 . 0 0 "[ . 1]" 1
215 1 13 GLY H 1 14 ASN QD . . 5.700 3.758 2.686 5.128 . 0 0 "[ . 1]" 1
216 1 13 GLY QA 1 14 ASN HA . . 6.760 4.077 4.051 4.103 . 0 0 "[ . 1]" 1
217 1 14 ASN H 1 14 ASN HB2 . . 4.000 2.602 2.129 3.423 . 0 0 "[ . 1]" 1
218 1 14 ASN H 1 14 ASN HB3 . . 4.000 3.401 2.085 3.583 . 0 0 "[ . 1]" 1
219 1 14 ASN H 1 14 ASN QB . . 3.810 2.418 2.068 2.744 . 0 0 "[ . 1]" 1
220 1 14 ASN H 1 14 ASN QD . . 5.440 2.373 1.260 3.771 . 0 0 "[ . 1]" 1
221 1 14 ASN H 1 15 ARG H . . 3.890 3.131 2.801 3.368 . 0 0 "[ . 1]" 1
222 1 14 ASN H 1 15 ARG QD . . 6.240 5.167 4.410 5.595 . 0 0 "[ . 1]" 1
223 1 14 ASN HA 1 15 ARG H . . 3.740 3.603 3.585 3.612 . 0 0 "[ . 1]" 1
224 1 14 ASN HA 1 15 ARG QB . . 6.710 4.488 4.170 5.087 . 0 0 "[ . 1]" 1
225 1 14 ASN HA 1 15 ARG QG . . 6.390 4.712 3.572 5.555 . 0 0 "[ . 1]" 1
226 1 14 ASN HA 1 16 ASP H . . 4.200 3.617 3.507 3.904 . 0 0 "[ . 1]" 1
227 1 14 ASN HA 1 17 ILE H . . 4.410 4.034 3.927 4.225 . 0 0 "[ . 1]" 1
228 1 14 ASN HA 1 17 ILE HB . . 5.240 5.238 5.118 5.279 0.039 9 0 "[ . 1]" 1
229 1 14 ASN HA 1 17 ILE HG12 . . 5.450 5.274 4.956 5.465 0.015 8 0 "[ . 1]" 1
230 1 14 ASN HA 1 17 ILE HG13 . . 5.450 3.665 3.464 3.808 . 0 0 "[ . 1]" 1
231 1 14 ASN HA 1 17 ILE QG . . 5.210 3.601 3.401 3.740 . 0 0 "[ . 1]" 1
232 1 14 ASN HA 1 17 ILE MD . . 6.320 3.884 3.374 4.327 . 0 0 "[ . 1]" 1
233 1 14 ASN HA 1 74 LEU QD . . 8.230 4.161 3.932 4.413 . 0 0 "[ . 1]" 1
234 1 14 ASN HB2 1 15 ARG H . . 4.460 2.233 1.768 3.737 . 0 0 "[ . 1]" 1
235 1 14 ASN HB2 1 17 ILE HB . . 4.670 3.856 3.034 4.172 . 0 0 "[ . 1]" 1
236 1 14 ASN HB2 1 17 ILE MG . . 6.900 5.211 4.170 5.502 . 0 0 "[ . 1]" 1
237 1 14 ASN HB2 1 17 ILE HG12 . . 5.830 5.493 3.504 5.874 0.044 9 0 "[ . 1]" 1
238 1 14 ASN HB2 1 17 ILE HG13 . . 5.830 3.790 1.891 4.179 . 0 0 "[ . 1]" 1
239 1 14 ASN HB2 1 17 ILE MD . . 5.960 3.989 1.931 4.597 . 0 0 "[ . 1]" 1
240 1 14 ASN HB2 1 18 TYR H . . 4.670 3.982 3.408 4.666 . 0 0 "[ . 1]" 1
241 1 14 ASN HB2 1 74 LEU MD1 . . 6.220 4.490 4.128 4.743 . 0 0 "[ . 1]" 1
242 1 14 ASN HB2 1 74 LEU MD2 . . 6.220 2.427 1.865 3.259 . 0 0 "[ . 1]" 1
243 1 14 ASN HB3 1 15 ARG H . . 4.460 3.019 2.355 3.304 . 0 0 "[ . 1]" 1
244 1 14 ASN HB3 1 17 ILE HB . . 4.670 3.026 2.813 4.005 . 0 0 "[ . 1]" 1
245 1 14 ASN HB3 1 17 ILE MG . . 6.900 4.453 4.287 5.109 . 0 0 "[ . 1]" 1
246 1 14 ASN HB3 1 17 ILE HG12 . . 5.830 4.165 3.812 5.176 . 0 0 "[ . 1]" 1
247 1 14 ASN HB3 1 17 ILE HG13 . . 5.830 2.455 2.080 3.639 . 0 0 "[ . 1]" 1
248 1 14 ASN HB3 1 17 ILE MD . . 5.960 3.089 2.514 3.676 . 0 0 "[ . 1]" 1
249 1 14 ASN HB3 1 18 TYR H . . 4.670 3.602 3.167 4.646 . 0 0 "[ . 1]" 1
250 1 14 ASN HB3 1 74 LEU MD1 . . 6.220 4.467 4.002 4.791 . 0 0 "[ . 1]" 1
251 1 14 ASN HB3 1 74 LEU MD2 . . 6.220 2.627 1.839 3.042 . 0 0 "[ . 1]" 1
252 1 14 ASN QB 1 15 ARG H . . 4.220 2.115 1.757 3.096 . 0 0 "[ . 1]" 1
253 1 14 ASN QB 1 16 ASP H . . 5.140 2.479 2.162 3.050 . 0 0 "[ . 1]" 1
254 1 14 ASN QB 1 17 ILE H . . 5.090 2.330 2.199 2.603 . 0 0 "[ . 1]" 1
255 1 14 ASN QB 1 17 ILE HB . . 4.430 2.854 2.758 2.948 . 0 0 "[ . 1]" 1
256 1 14 ASN QB 1 17 ILE MG . . 6.670 4.167 3.994 4.249 . 0 0 "[ . 1]" 1
257 1 14 ASN QB 1 17 ILE QG . . 4.860 2.251 1.877 2.593 . 0 0 "[ . 1]" 1
258 1 14 ASN QB 1 17 ILE MD . . 5.720 2.914 1.903 3.471 . 0 0 "[ . 1]" 1
259 1 14 ASN QB 1 18 TYR H . . 4.480 3.299 2.967 3.724 . 0 0 "[ . 1]" 1
260 1 14 ASN QB 1 74 LEU HA . . 6.440 4.405 3.356 5.064 . 0 0 "[ . 1]" 1
261 1 14 ASN QB 1 74 LEU QD . . 5.650 2.172 1.779 2.712 . 0 0 "[ . 1]" 1
262 1 14 ASN HD21 1 74 LEU HA . . 4.980 3.340 2.291 4.998 0.018 2 0 "[ . 1]" 1
263 1 14 ASN HD21 1 74 LEU MD1 . . 9.050 4.432 2.875 5.245 . 0 0 "[ . 1]" 1
264 1 14 ASN HD21 1 74 LEU MD2 . . 9.050 2.205 1.463 2.799 . 0 0 "[ . 1]" 1
265 1 14 ASN HD22 1 74 LEU HA . . 4.980 2.702 1.638 5.063 0.083 10 0 "[ . 1]" 1
266 1 14 ASN HD22 1 74 LEU MD1 . . 9.050 4.249 3.121 4.890 . 0 0 "[ . 1]" 1
267 1 14 ASN HD22 1 74 LEU MD2 . . 9.050 2.425 1.713 3.029 . 0 0 "[ . 1]" 1
268 1 14 ASN QD 1 74 LEU HA . . 4.760 2.452 1.605 3.560 . 0 0 "[ . 1]" 1
269 1 14 ASN QD 1 74 LEU QD . . 7.370 1.920 1.452 2.435 . 0 0 "[ . 1]" 1
270 1 15 ARG H 1 16 ASP H . . 3.890 2.765 2.614 2.883 . 0 0 "[ . 1]" 1
271 1 15 ARG H 1 17 ILE H . . 4.880 4.207 3.765 4.444 . 0 0 "[ . 1]" 1
272 1 15 ARG H 1 18 TYR HB2 . . 4.670 3.948 3.607 4.197 . 0 0 "[ . 1]" 1
273 1 15 ARG H 1 18 TYR HB3 . . 4.670 4.528 4.153 4.718 0.048 10 0 "[ . 1]" 1
274 1 15 ARG H 1 18 TYR QB . . 4.330 3.710 3.473 3.901 . 0 0 "[ . 1]" 1
275 1 15 ARG HA 1 16 ASP H . . 4.100 3.093 3.001 3.182 . 0 0 "[ . 1]" 1
276 1 15 ARG HA 1 18 TYR HB2 . . 4.310 4.060 3.511 4.320 0.010 1 0 "[ . 1]" 1
277 1 15 ARG HA 1 18 TYR HB3 . . 4.310 3.674 3.415 3.931 . 0 0 "[ . 1]" 1
278 1 15 ARG HA 1 18 TYR QB . . 4.080 3.411 3.083 3.632 . 0 0 "[ . 1]" 1
279 1 15 ARG QB 1 16 ASP H . . 4.630 3.732 3.600 4.054 . 0 0 "[ . 1]" 1
280 1 15 ARG QG 1 16 ASP H . . 5.670 4.357 3.514 4.607 . 0 0 "[ . 1]" 1
281 1 16 ASP H 1 17 ILE H . . 3.680 1.931 1.644 2.145 . 0 0 "[ . 1]" 1
282 1 16 ASP H 1 17 ILE HG12 . . 4.670 4.706 4.684 4.720 0.050 4 0 "[ . 1]" 1
283 1 16 ASP H 1 17 ILE HG13 . . 4.670 3.340 3.152 3.568 . 0 0 "[ . 1]" 1
284 1 16 ASP H 1 17 ILE QG . . 4.480 3.272 3.106 3.467 . 0 0 "[ . 1]" 1
285 1 16 ASP H 1 18 TYR H . . 4.460 2.780 2.642 2.910 . 0 0 "[ . 1]" 1
286 1 16 ASP H 1 18 TYR HB2 . . 4.520 4.213 3.928 4.419 . 0 0 "[ . 1]" 1
287 1 16 ASP H 1 18 TYR HB3 . . 4.520 4.348 4.157 4.493 . 0 0 "[ . 1]" 1
288 1 16 ASP H 1 18 TYR QB . . 4.240 3.804 3.632 3.882 . 0 0 "[ . 1]" 1
289 1 16 ASP H 1 19 LYS H . . 4.410 4.232 3.990 4.429 0.019 2 0 "[ . 1]" 1
290 1 16 ASP HA 1 17 ILE H . . 4.200 3.591 3.538 3.613 . 0 0 "[ . 1]" 1
291 1 16 ASP HA 1 19 LYS H . . 4.200 3.774 3.357 3.950 . 0 0 "[ . 1]" 1
292 1 16 ASP HA 1 19 LYS HG2 . . 5.500 4.684 2.656 5.432 . 0 0 "[ . 1]" 1
293 1 16 ASP HA 1 19 LYS HG3 . . 5.500 4.259 2.629 5.378 . 0 0 "[ . 1]" 1
294 1 16 ASP HA 1 19 LYS QG . . 5.260 3.903 2.354 4.755 . 0 0 "[ . 1]" 1
295 1 16 ASP HA 1 19 LYS QD . . 5.410 2.735 2.265 4.588 . 0 0 "[ . 1]" 1
296 1 16 ASP HA 1 19 LYS QE . . 6.030 4.470 3.652 5.026 . 0 0 "[ . 1]" 1
297 1 16 ASP HA 1 20 LYS H . . 4.780 4.301 3.948 4.807 0.027 9 0 "[ . 1]" 1
298 1 16 ASP QB 1 17 ILE H . . 5.040 2.527 2.252 2.821 . 0 0 "[ . 1]" 1
299 1 16 ASP QB 1 19 LYS H . . 5.980 5.207 4.788 5.410 . 0 0 "[ . 1]" 1
300 1 16 ASP QB 1 19 LYS QD . . 7.490 4.443 3.677 5.931 . 0 0 "[ . 1]" 1
301 1 17 ILE H 1 17 ILE HB . . 3.740 2.678 2.568 2.790 . 0 0 "[ . 1]" 1
302 1 17 ILE H 1 17 ILE QG . . 4.830 1.771 1.502 1.996 . 0 0 "[ . 1]" 1
303 1 17 ILE H 1 18 TYR H . . 3.890 2.523 2.279 2.736 . 0 0 "[ . 1]" 1
304 1 17 ILE H 1 18 TYR QB . . 5.560 4.209 3.898 4.437 . 0 0 "[ . 1]" 1
305 1 17 ILE H 1 74 LEU QD . . 7.540 3.862 3.388 4.233 . 0 0 "[ . 1]" 1
306 1 17 ILE HA 1 17 ILE HG12 . . 4.460 2.623 2.464 2.765 . 0 0 "[ . 1]" 1
307 1 17 ILE HA 1 17 ILE HG13 . . 4.460 3.298 3.210 3.379 . 0 0 "[ . 1]" 1
308 1 17 ILE HA 1 20 LYS H . . 4.050 3.574 3.089 3.824 . 0 0 "[ . 1]" 1
309 1 17 ILE HA 1 20 LYS HB2 . . 4.930 3.424 2.616 3.961 . 0 0 "[ . 1]" 1
310 1 17 ILE HA 1 20 LYS HB3 . . 4.930 3.352 2.296 4.952 0.022 8 0 "[ . 1]" 1
311 1 17 ILE HA 1 20 LYS QG . . 6.030 4.207 2.968 4.731 . 0 0 "[ . 1]" 1
312 1 17 ILE HA 1 20 LYS HD2 . . 5.040 4.787 4.187 5.137 0.097 10 0 "[ . 1]" 1
313 1 17 ILE HA 1 20 LYS HD3 . . 5.040 3.636 2.757 4.198 . 0 0 "[ . 1]" 1
314 1 17 ILE HA 1 20 LYS QD . . 4.810 3.507 2.733 3.906 . 0 0 "[ . 1]" 1
315 1 17 ILE HA 1 21 VAL H . . 4.670 3.632 3.329 4.003 . 0 0 "[ . 1]" 1
316 1 17 ILE HA 1 21 VAL QG . . 8.180 3.426 3.066 3.740 . 0 0 "[ . 1]" 1
317 1 17 ILE HB 1 18 TYR H . . 3.940 2.967 2.638 3.369 . 0 0 "[ . 1]" 1
318 1 17 ILE HB 1 21 VAL QG . . 7.500 3.571 3.170 3.955 . 0 0 "[ . 1]" 1
319 1 17 ILE HB 1 70 TRP QB . . 6.750 3.577 3.438 3.705 . 0 0 "[ . 1]" 1
320 1 17 ILE MG 1 18 TYR H . . 5.750 3.989 3.858 4.178 . 0 0 "[ . 1]" 1
321 1 17 ILE MG 1 18 TYR HA . . 6.580 4.155 3.925 4.304 . 0 0 "[ . 1]" 1
322 1 17 ILE MG 1 20 LYS HB2 . . 7.730 4.421 3.234 5.210 . 0 0 "[ . 1]" 1
323 1 17 ILE MG 1 20 LYS HB3 . . 7.730 4.076 3.300 5.322 . 0 0 "[ . 1]" 1
324 1 17 ILE MG 1 20 LYS QB . . 7.590 3.506 3.174 3.918 . 0 0 "[ . 1]" 1
325 1 17 ILE MG 1 20 LYS QD . . 7.890 4.034 3.075 4.746 . 0 0 "[ . 1]" 1
326 1 17 ILE MG 1 21 VAL HA . . 6.740 4.582 4.308 4.950 . 0 0 "[ . 1]" 1
327 1 17 ILE MG 1 21 VAL MG1 . . 8.760 3.555 1.762 4.347 . 0 0 "[ . 1]" 1
328 1 17 ILE MG 1 21 VAL MG2 . . 8.760 2.452 1.842 3.560 . 0 0 "[ . 1]" 1
329 1 17 ILE MG 1 21 VAL QG . . 7.510 2.022 1.756 2.236 . 0 0 "[ . 1]" 1
330 1 17 ILE MG 1 67 PHE HA . . 7.470 3.718 3.506 3.829 . 0 0 "[ . 1]" 1
331 1 17 ILE MG 1 70 TRP H . . 6.120 4.488 4.406 4.591 . 0 0 "[ . 1]" 1
332 1 17 ILE MG 1 70 TRP HA . . 6.220 3.777 3.689 3.920 . 0 0 "[ . 1]" 1
333 1 17 ILE MG 1 70 TRP HB2 . . 5.860 2.625 2.492 2.726 . 0 0 "[ . 1]" 1
334 1 17 ILE MG 1 70 TRP HB3 . . 5.860 1.720 1.672 1.811 . 0 0 "[ . 1]" 1
335 1 17 ILE MG 1 70 TRP QB . . 5.590 1.698 1.654 1.786 . 0 0 "[ . 1]" 1
336 1 17 ILE MG 1 70 TRP HD1 . . 6.950 4.494 4.456 4.561 . 0 0 "[ . 1]" 1
337 1 17 ILE MG 1 70 TRP HE3 . . 5.860 1.911 1.705 2.164 . 0 0 "[ . 1]" 1
338 1 17 ILE MG 1 70 TRP HE1 . . 6.530 5.301 5.211 5.371 . 0 0 "[ . 1]" 1
339 1 17 ILE MG 1 71 ILE HA . . 7.310 3.619 3.405 3.968 . 0 0 "[ . 1]" 1
340 1 17 ILE MG 1 71 ILE MG . . 7.300 4.944 4.796 5.087 . 0 0 "[ . 1]" 1
341 1 17 ILE MG 1 74 LEU H . . 6.380 5.021 4.864 5.118 . 0 0 "[ . 1]" 1
342 1 17 ILE MG 1 74 LEU QB . . 7.060 5.036 4.832 5.102 . 0 0 "[ . 1]" 1
343 1 17 ILE MG 1 74 LEU HG . . 5.750 4.047 3.803 4.370 . 0 0 "[ . 1]" 1
344 1 17 ILE MG 1 74 LEU MD1 . . 7.610 2.539 2.188 2.852 . 0 0 "[ . 1]" 1
345 1 17 ILE MG 1 74 LEU MD2 . . 7.610 3.440 2.846 4.116 . 0 0 "[ . 1]" 1
346 1 17 ILE MG 1 74 LEU QD . . 7.300 2.457 2.172 2.775 . 0 0 "[ . 1]" 1
347 1 17 ILE HG12 1 20 LYS HE2 . . 7.280 4.516 3.490 5.830 . 0 0 "[ . 1]" 1
348 1 17 ILE HG12 1 20 LYS HE3 . . 7.280 5.193 3.729 6.023 . 0 0 "[ . 1]" 1
349 1 17 ILE HG12 1 70 TRP HD1 . . 5.920 5.025 4.799 5.269 . 0 0 "[ . 1]" 1
350 1 17 ILE HG13 1 20 LYS HE2 . . 7.280 5.696 4.578 7.080 . 0 0 "[ . 1]" 1
351 1 17 ILE HG13 1 20 LYS HE3 . . 7.280 6.462 5.206 7.320 0.040 5 0 "[ . 1]" 1
352 1 17 ILE HG13 1 70 TRP HD1 . . 5.920 6.008 5.967 6.078 0.158 1 0 "[ . 1]" 1
353 1 17 ILE QG 1 18 TYR H . . 5.250 3.762 3.550 3.958 . 0 0 "[ . 1]" 1
354 1 17 ILE QG 1 20 LYS QE . . 6.240 4.034 3.175 4.945 . 0 0 "[ . 1]" 1
355 1 17 ILE QG 1 21 VAL QG . . 9.220 4.461 4.099 4.746 . 0 0 "[ . 1]" 1
356 1 17 ILE QG 1 70 TRP HE1 . . 6.130 5.144 4.995 5.369 . 0 0 "[ . 1]" 1
357 1 17 ILE QG 1 73 ILE HB . . 5.820 4.720 4.436 4.987 . 0 0 "[ . 1]" 1
358 1 17 ILE QG 1 74 LEU QD . . 8.760 3.355 3.001 3.589 . 0 0 "[ . 1]" 1
359 1 17 ILE MD 1 18 TYR H . . 6.270 4.715 4.373 5.080 . 0 0 "[ . 1]" 1
360 1 17 ILE MD 1 20 LYS HE2 . . 7.520 5.204 4.441 6.144 . 0 0 "[ . 1]" 1
361 1 17 ILE MD 1 20 LYS HE3 . . 7.520 5.661 4.604 6.248 . 0 0 "[ . 1]" 1
362 1 17 ILE MD 1 20 LYS QE . . 7.410 4.768 4.024 5.510 . 0 0 "[ . 1]" 1
363 1 17 ILE MD 1 21 VAL QG . . 8.220 4.252 3.964 4.478 . 0 0 "[ . 1]" 1
364 1 17 ILE MD 1 46 PHE QB . . 8.300 5.999 5.959 6.064 . 0 0 "[ . 1]" 1
365 1 17 ILE MD 1 67 PHE QD . . 9.410 5.244 4.726 5.744 . 0 0 "[ . 1]" 1
366 1 17 ILE MD 1 70 TRP H . . 6.220 4.196 4.092 4.326 . 0 0 "[ . 1]" 1
367 1 17 ILE MD 1 70 TRP HA . . 6.120 2.385 2.228 2.532 . 0 0 "[ . 1]" 1
368 1 17 ILE MD 1 70 TRP HB2 . . 7.360 3.133 3.070 3.183 . 0 0 "[ . 1]" 1
369 1 17 ILE MD 1 70 TRP HB3 . . 7.360 1.729 1.675 1.790 . 0 0 "[ . 1]" 1
370 1 17 ILE MD 1 70 TRP QB . . 6.900 1.721 1.667 1.780 . 0 0 "[ . 1]" 1
371 1 17 ILE MD 1 70 TRP HD1 . . 6.580 3.109 3.018 3.301 . 0 0 "[ . 1]" 1
372 1 17 ILE MD 1 70 TRP HE3 . . 5.540 3.690 3.496 3.905 . 0 0 "[ . 1]" 1
373 1 17 ILE MD 1 70 TRP HE1 . . 6.430 4.273 4.041 4.516 . 0 0 "[ . 1]" 1
374 1 17 ILE MD 1 71 ILE H . . 5.910 4.084 3.846 4.383 . 0 0 "[ . 1]" 1
375 1 17 ILE MD 1 71 ILE MD . . 7.200 4.168 3.632 4.892 . 0 0 "[ . 1]" 1
376 1 17 ILE MD 1 73 ILE HB . . 6.380 2.668 2.376 2.870 . 0 0 "[ . 1]" 1
377 1 17 ILE MD 1 73 ILE MG . . 6.830 2.989 2.735 3.187 . 0 0 "[ . 1]" 1
378 1 17 ILE MD 1 73 ILE QG . . 7.840 3.826 3.532 4.072 . 0 0 "[ . 1]" 1
379 1 17 ILE MD 1 74 LEU H . . 6.640 3.880 3.425 4.151 . 0 0 "[ . 1]" 1
380 1 17 ILE MD 1 74 LEU HA . . 7.210 4.947 4.556 5.197 . 0 0 "[ . 1]" 1
381 1 17 ILE MD 1 74 LEU QB . . 6.750 4.645 4.349 4.898 . 0 0 "[ . 1]" 1
382 1 17 ILE MD 1 74 LEU QD . . 9.670 2.331 1.762 2.845 . 0 0 "[ . 1]" 1
383 1 18 TYR H 1 18 TYR HB2 . . 3.840 2.327 2.196 2.401 . 0 0 "[ . 1]" 1
384 1 18 TYR H 1 18 TYR HB3 . . 3.840 2.666 2.561 2.787 . 0 0 "[ . 1]" 1
385 1 18 TYR H 1 18 TYR QB . . 3.620 2.185 2.119 2.233 . 0 0 "[ . 1]" 1
386 1 18 TYR H 1 19 LYS QB . . 5.610 4.618 4.280 5.082 . 0 0 "[ . 1]" 1
387 1 18 TYR H 1 19 LYS QD . . 5.870 4.376 3.679 5.043 . 0 0 "[ . 1]" 1
388 1 18 TYR H 1 21 VAL QG . . 6.880 4.054 3.440 4.472 . 0 0 "[ . 1]" 1
389 1 18 TYR HA 1 21 VAL HB . . 4.460 3.053 2.134 4.469 0.009 7 0 "[ . 1]" 1
390 1 18 TYR HA 1 21 VAL MG1 . . 7.050 3.574 3.136 4.113 . 0 0 "[ . 1]" 1
391 1 18 TYR HA 1 21 VAL MG2 . . 7.050 2.758 1.705 3.547 . 0 0 "[ . 1]" 1
392 1 18 TYR HA 1 21 VAL QG . . 6.030 2.627 1.699 3.282 . 0 0 "[ . 1]" 1
393 1 18 TYR HA 1 46 PHE QE . . 8.120 2.327 1.773 3.732 . 0 0 "[ . 1]" 1
394 1 18 TYR HB2 1 19 LYS H . . 4.050 3.608 3.427 3.873 . 0 0 "[ . 1]" 1
395 1 18 TYR HB2 1 22 VAL MG1 . . 9.360 5.616 5.149 6.141 . 0 0 "[ . 1]" 1
396 1 18 TYR HB2 1 22 VAL MG2 . . 9.360 7.068 6.613 7.413 . 0 0 "[ . 1]" 1
397 1 18 TYR HB2 1 74 LEU MD1 . . 7.420 4.405 4.097 4.632 . 0 0 "[ . 1]" 1
398 1 18 TYR HB2 1 74 LEU MD2 . . 7.420 3.630 2.708 4.678 . 0 0 "[ . 1]" 1
399 1 18 TYR HB3 1 19 LYS H . . 4.050 2.356 1.951 2.941 . 0 0 "[ . 1]" 1
400 1 18 TYR HB3 1 22 VAL MG1 . . 9.360 4.627 4.270 5.027 . 0 0 "[ . 1]" 1
401 1 18 TYR HB3 1 22 VAL MG2 . . 9.360 6.348 5.937 6.622 . 0 0 "[ . 1]" 1
402 1 18 TYR HB3 1 74 LEU MD1 . . 7.420 5.805 5.472 6.007 . 0 0 "[ . 1]" 1
403 1 18 TYR HB3 1 74 LEU MD2 . . 7.420 5.067 4.201 6.004 . 0 0 "[ . 1]" 1
404 1 18 TYR QB 1 19 LYS H . . 3.860 2.318 1.941 2.856 . 0 0 "[ . 1]" 1
405 1 18 TYR QB 1 21 VAL H . . 5.660 5.072 4.876 5.228 . 0 0 "[ . 1]" 1
406 1 18 TYR QB 1 22 VAL QG . . 7.680 4.300 4.005 4.604 . 0 0 "[ . 1]" 1
407 1 18 TYR QB 1 74 LEU QD . . 6.400 3.344 2.638 3.981 . 0 0 "[ . 1]" 1
408 1 18 TYR QD 1 19 LYS HA . . 7.290 3.313 2.635 4.144 . 0 0 "[ . 1]" 1
409 1 18 TYR QD 1 19 LYS HG2 . . 7.700 4.747 3.818 5.156 . 0 0 "[ . 1]" 1
410 1 18 TYR QD 1 19 LYS HG3 . . 7.700 3.837 2.881 5.250 . 0 0 "[ . 1]" 1
411 1 18 TYR QD 1 19 LYS QG . . 7.510 3.554 2.851 4.300 . 0 0 "[ . 1]" 1
412 1 18 TYR QD 1 19 LYS QD . . 9.010 4.659 3.045 6.003 . 0 0 "[ . 1]" 1
413 1 18 TYR QD 1 22 VAL HB . . 7.500 3.664 2.225 4.658 . 0 0 "[ . 1]" 1
414 1 18 TYR QD 1 22 VAL MG1 . . 8.470 3.191 2.432 4.180 . 0 0 "[ . 1]" 1
415 1 18 TYR QD 1 22 VAL MG2 . . 8.470 4.427 3.613 5.224 . 0 0 "[ . 1]" 1
416 1 18 TYR QD 1 22 VAL QG . . 8.050 3.102 2.396 3.999 . 0 0 "[ . 1]" 1
417 1 18 TYR QD 1 74 LEU QD . . 9.700 3.322 2.688 4.123 . 0 0 "[ . 1]" 1
418 1 18 TYR QE 1 19 LYS HG2 . . 8.380 6.617 5.955 7.162 . 0 0 "[ . 1]" 1
419 1 18 TYR QE 1 19 LYS HG3 . . 8.380 5.885 4.800 7.190 . 0 0 "[ . 1]" 1
420 1 18 TYR QE 1 19 LYS QG . . 8.150 5.419 4.637 6.247 . 0 0 "[ . 1]" 1
421 1 18 TYR QE 1 22 VAL HA . . 7.860 5.710 3.977 6.690 . 0 0 "[ . 1]" 1
422 1 18 TYR QE 1 22 VAL HB . . 7.240 3.602 1.911 4.775 . 0 0 "[ . 1]" 1
423 1 18 TYR QE 1 22 VAL MG1 . . 8.000 3.826 2.803 4.866 . 0 0 "[ . 1]" 1
424 1 18 TYR QE 1 22 VAL MG2 . . 8.000 3.669 2.406 4.874 . 0 0 "[ . 1]" 1
425 1 18 TYR QE 1 46 PHE QB . . 9.010 6.589 6.117 7.117 . 0 0 "[ . 1]" 1
426 1 18 TYR QE 1 46 PHE QE . . 9.130 3.141 1.950 3.839 . 0 0 "[ . 1]" 1
427 1 18 TYR QE 1 46 PHE HZ . . 7.550 2.900 2.465 3.157 . 0 0 "[ . 1]" 1
428 1 19 LYS H 1 19 LYS HG2 . . 4.100 3.420 1.321 4.119 0.019 7 0 "[ . 1]" 1
429 1 19 LYS H 1 19 LYS HG3 . . 4.100 2.471 1.874 3.018 . 0 0 "[ . 1]" 1
430 1 19 LYS H 1 19 LYS QG . . 3.730 2.271 1.320 2.869 . 0 0 "[ . 1]" 1
431 1 19 LYS H 1 20 LYS H . . 3.890 2.760 2.381 3.025 . 0 0 "[ . 1]" 1
432 1 19 LYS H 1 21 VAL H . . 4.880 4.339 3.633 4.847 . 0 0 "[ . 1]" 1
433 1 19 LYS H 1 22 VAL QG . . 7.290 3.979 3.726 4.446 . 0 0 "[ . 1]" 1
434 1 19 LYS HA 1 19 LYS HG2 . . 4.150 3.091 2.490 4.043 . 0 0 "[ . 1]" 1
435 1 19 LYS HA 1 19 LYS HG3 . . 4.150 2.699 2.200 3.922 . 0 0 "[ . 1]" 1
436 1 19 LYS HA 1 19 LYS QG . . 3.970 2.451 2.168 3.285 . 0 0 "[ . 1]" 1
437 1 19 LYS HA 1 19 LYS QE . . 5.820 4.308 3.423 4.641 . 0 0 "[ . 1]" 1
438 1 19 LYS HA 1 22 VAL HB . . 4.570 4.178 3.890 4.516 . 0 0 "[ . 1]" 1
439 1 19 LYS HA 1 22 VAL MG1 . . 6.320 2.107 1.922 2.345 . 0 0 "[ . 1]" 1
440 1 19 LYS HA 1 22 VAL MG2 . . 6.320 4.525 4.267 4.766 . 0 0 "[ . 1]" 1
441 1 19 LYS HA 1 22 VAL QG . . 5.390 2.103 1.920 2.340 . 0 0 "[ . 1]" 1
442 1 19 LYS QB 1 20 LYS H . . 4.680 2.566 2.273 3.396 . 0 0 "[ . 1]" 1
443 1 19 LYS QB 1 21 VAL H . . 5.980 4.861 4.485 5.355 . 0 0 "[ . 1]" 1
444 1 19 LYS QB 1 22 VAL H . . 6.190 5.551 5.407 5.626 . 0 0 "[ . 1]" 1
445 1 20 LYS H 1 20 LYS HB2 . . 3.740 2.510 2.157 2.703 . 0 0 "[ . 1]" 1
446 1 20 LYS H 1 20 LYS HB3 . . 3.740 2.905 2.391 3.578 . 0 0 "[ . 1]" 1
447 1 20 LYS H 1 20 LYS QB . . 3.450 2.307 2.138 2.624 . 0 0 "[ . 1]" 1
448 1 20 LYS H 1 21 VAL H . . 3.840 2.744 2.630 2.951 . 0 0 "[ . 1]" 1
449 1 20 LYS H 1 22 VAL H . . 4.880 4.689 4.380 4.904 0.024 10 0 "[ . 1]" 1
450 1 20 LYS HA 1 20 LYS HG2 . . 4.050 2.611 2.328 2.813 . 0 0 "[ . 1]" 1
451 1 20 LYS HA 1 20 LYS HG3 . . 4.050 2.931 2.400 3.305 . 0 0 "[ . 1]" 1
452 1 20 LYS HA 1 20 LYS QG . . 3.810 2.415 2.223 2.563 . 0 0 "[ . 1]" 1
453 1 20 LYS HA 1 20 LYS HD2 . . 4.780 4.689 4.447 4.893 0.113 10 0 "[ . 1]" 1
454 1 20 LYS HA 1 20 LYS HD3 . . 4.780 4.685 4.363 4.983 0.203 4 0 "[ . 1]" 1
455 1 20 LYS HA 1 20 LYS QD . . 4.620 4.161 3.989 4.223 . 0 0 "[ . 1]" 1
456 1 20 LYS HA 1 20 LYS HE2 . . 5.140 4.635 3.665 5.281 0.141 7 0 "[ . 1]" 1
457 1 20 LYS HA 1 20 LYS HE3 . . 5.140 4.617 3.645 5.292 0.152 1 0 "[ . 1]" 1
458 1 20 LYS HA 1 20 LYS QE . . 4.990 3.920 3.576 4.203 . 0 0 "[ . 1]" 1
459 1 20 LYS HA 1 21 VAL H . . 3.790 3.600 3.551 3.613 . 0 0 "[ . 1]" 1
460 1 20 LYS HA 1 23 ARG H . . 4.310 3.594 3.463 3.829 . 0 0 "[ . 1]" 1
461 1 20 LYS HA 1 23 ARG HG2 . . 5.500 4.295 3.857 5.353 . 0 0 "[ . 1]" 1
462 1 20 LYS HA 1 23 ARG HG3 . . 5.500 4.934 4.250 5.301 . 0 0 "[ . 1]" 1
463 1 20 LYS HA 1 23 ARG QG . . 5.310 3.943 3.705 4.191 . 0 0 "[ . 1]" 1
464 1 20 LYS HA 1 24 VAL H . . 4.570 4.290 4.098 4.564 . 0 0 "[ . 1]" 1
465 1 20 LYS HB2 1 21 VAL MG1 . . 10.290 5.543 3.129 6.717 . 0 0 "[ . 1]" 1
466 1 20 LYS HB2 1 21 VAL MG2 . . 10.290 4.450 3.244 5.402 . 0 0 "[ . 1]" 1
467 1 20 LYS HB2 1 70 TRP HZ3 . . 5.400 4.189 3.248 4.870 . 0 0 "[ . 1]" 1
468 1 20 LYS HB2 1 70 TRP HH2 . . 5.870 5.753 5.298 5.904 0.034 6 0 "[ . 1]" 1
469 1 20 LYS HB3 1 21 VAL MG1 . . 10.290 5.055 3.147 6.063 . 0 0 "[ . 1]" 1
470 1 20 LYS HB3 1 21 VAL MG2 . . 10.290 3.918 3.292 5.166 . 0 0 "[ . 1]" 1
471 1 20 LYS HB3 1 70 TRP HZ3 . . 5.400 3.726 3.500 3.953 . 0 0 "[ . 1]" 1
472 1 20 LYS HB3 1 70 TRP HH2 . . 5.870 5.572 5.206 5.862 . 0 0 "[ . 1]" 1
473 1 20 LYS QB 1 21 VAL H . . 4.890 2.358 2.154 2.758 . 0 0 "[ . 1]" 1
474 1 20 LYS QB 1 21 VAL QG . . 8.620 3.152 2.939 3.407 . 0 0 "[ . 1]" 1
475 1 20 LYS QB 1 70 TRP HZ3 . . 5.180 3.460 3.019 3.749 . 0 0 "[ . 1]" 1
476 1 20 LYS QB 1 70 TRP HH2 . . 5.710 5.034 4.728 5.197 . 0 0 "[ . 1]" 1
477 1 20 LYS QG 1 51 PHE HZ . . 6.390 4.872 3.576 5.822 . 0 0 "[ . 1]" 1
478 1 20 LYS QG 1 70 TRP HZ3 . . 6.500 3.984 3.265 4.493 . 0 0 "[ . 1]" 1
479 1 20 LYS HD2 1 70 TRP HZ3 . . 5.500 2.749 1.923 4.347 . 0 0 "[ . 1]" 1
480 1 20 LYS HD2 1 70 TRP HH2 . . 4.780 3.944 2.973 4.785 0.005 1 0 "[ . 1]" 1
481 1 20 LYS HD3 1 70 TRP HZ3 . . 5.500 2.719 1.824 4.255 . 0 0 "[ . 1]" 1
482 1 20 LYS HD3 1 70 TRP HH2 . . 4.780 3.877 3.056 4.899 0.119 5 0 "[ . 1]" 1
483 1 20 LYS QD 1 21 VAL H . . 5.510 4.477 4.076 5.030 . 0 0 "[ . 1]" 1
484 1 20 LYS QD 1 67 PHE HZ . . 5.930 2.965 2.119 5.363 . 0 0 "[ . 1]" 1
485 1 20 LYS QD 1 70 TRP HZ3 . . 5.340 2.246 1.665 3.716 . 0 0 "[ . 1]" 1
486 1 20 LYS QD 1 70 TRP HZ2 . . 6.500 5.204 4.908 5.696 . 0 0 "[ . 1]" 1
487 1 20 LYS QD 1 70 TRP HH2 . . 4.590 3.345 2.890 4.181 . 0 0 "[ . 1]" 1
488 1 20 LYS HE2 1 51 PHE HZ . . 4.980 3.895 1.811 5.094 0.114 5 0 "[ . 1]" 1
489 1 20 LYS HE2 1 67 PHE HZ . . 5.090 4.446 3.466 5.141 0.051 1 0 "[ . 1]" 1
490 1 20 LYS HE2 1 70 TRP HE3 . . 5.970 3.212 2.330 4.162 . 0 0 "[ . 1]" 1
491 1 20 LYS HE2 1 70 TRP HZ3 . . 5.760 2.854 1.799 3.730 . 0 0 "[ . 1]" 1
492 1 20 LYS HE3 1 51 PHE HZ . . 4.980 3.474 2.064 4.987 0.007 5 0 "[ . 1]" 1
493 1 20 LYS HE3 1 67 PHE HZ . . 5.090 4.000 2.758 5.123 0.033 2 0 "[ . 1]" 1
494 1 20 LYS HE3 1 70 TRP HE3 . . 5.970 3.390 2.294 4.248 . 0 0 "[ . 1]" 1
495 1 20 LYS HE3 1 70 TRP HZ3 . . 5.760 2.728 1.603 4.093 . 0 0 "[ . 1]" 1
496 1 20 LYS QE 1 67 PHE HA . . 5.820 4.663 4.446 5.023 . 0 0 "[ . 1]" 1
497 1 20 LYS QE 1 70 TRP HZ3 . . 5.580 2.150 1.599 3.125 . 0 0 "[ . 1]" 1
498 1 20 LYS QE 1 70 TRP HH2 . . 6.810 4.117 2.936 5.353 . 0 0 "[ . 1]" 1
499 1 21 VAL H 1 21 VAL HB . . 3.680 2.751 2.253 3.581 . 0 0 "[ . 1]" 1
500 1 21 VAL H 1 22 VAL H . . 3.890 3.113 2.856 3.319 . 0 0 "[ . 1]" 1
501 1 21 VAL H 1 23 ARG H . . 4.830 3.899 3.652 4.128 . 0 0 "[ . 1]" 1
502 1 21 VAL H 1 23 ARG QB . . 6.290 4.574 4.436 4.743 . 0 0 "[ . 1]" 1
503 1 21 VAL H 1 46 PHE QD . . 7.440 5.197 4.922 5.858 . 0 0 "[ . 1]" 1
504 1 21 VAL H 1 67 PHE QE . . 6.870 5.248 3.104 6.486 . 0 0 "[ . 1]" 1
505 1 21 VAL HA 1 22 VAL H . . 4.050 3.609 3.601 3.614 . 0 0 "[ . 1]" 1
506 1 21 VAL HA 1 24 VAL QG . . 7.710 2.560 1.880 2.929 . 0 0 "[ . 1]" 1
507 1 21 VAL HA 1 51 PHE QE . . 7.710 2.008 1.743 2.352 . 0 0 "[ . 1]" 1
508 1 21 VAL HA 1 67 PHE QD . . 6.920 5.205 4.552 5.852 . 0 0 "[ . 1]" 1
509 1 21 VAL HA 1 67 PHE QE . . 6.610 4.713 3.320 5.941 . 0 0 "[ . 1]" 1
510 1 21 VAL HB 1 22 VAL H . . 3.840 2.422 2.095 3.131 . 0 0 "[ . 1]" 1
511 1 21 VAL HB 1 23 ARG H . . 4.780 4.626 4.379 4.875 0.095 7 0 "[ . 1]" 1
512 1 21 VAL HB 1 24 VAL H . . 4.880 5.073 4.909 5.205 0.325 6 0 "[ . 1]" 1
513 1 21 VAL MG1 1 22 VAL H . . 5.800 2.963 2.411 3.745 . 0 0 "[ . 1]" 1
514 1 21 VAL MG1 1 46 PHE HB2 . . 7.730 3.661 3.352 4.106 . 0 0 "[ . 1]" 1
515 1 21 VAL MG1 1 46 PHE HB3 . . 7.730 2.768 2.277 3.757 . 0 0 "[ . 1]" 1
516 1 21 VAL MG1 1 46 PHE QD . . 9.510 2.691 2.425 3.761 . 0 0 "[ . 1]" 1
517 1 21 VAL MG1 1 51 PHE QE . . 10.030 2.075 1.774 2.715 . 0 0 "[ . 1]" 1
518 1 21 VAL MG1 1 51 PHE HZ . . 7.520 3.099 1.934 3.651 . 0 0 "[ . 1]" 1
519 1 21 VAL MG1 1 67 PHE QD . . 9.820 4.989 2.731 6.296 . 0 0 "[ . 1]" 1
520 1 21 VAL MG1 1 67 PHE QE . . 10.030 5.140 1.859 6.856 . 0 0 "[ . 1]" 1
521 1 21 VAL MG1 1 71 ILE HG12 . . 9.880 4.813 3.743 6.254 . 0 0 "[ . 1]" 1
522 1 21 VAL MG1 1 71 ILE HG13 . . 9.880 4.499 3.191 5.388 . 0 0 "[ . 1]" 1
523 1 21 VAL MG1 1 71 ILE MD . . 8.550 3.270 2.161 4.209 . 0 0 "[ . 1]" 1
524 1 21 VAL MG2 1 22 VAL H . . 5.800 3.049 1.311 3.846 . 0 0 "[ . 1]" 1
525 1 21 VAL MG2 1 46 PHE HB2 . . 7.730 4.063 3.571 5.178 . 0 0 "[ . 1]" 1
526 1 21 VAL MG2 1 46 PHE HB3 . . 7.730 3.597 3.001 4.906 . 0 0 "[ . 1]" 1
527 1 21 VAL MG2 1 46 PHE QD . . 9.510 2.388 1.904 3.283 . 0 0 "[ . 1]" 1
528 1 21 VAL MG2 1 51 PHE QE . . 10.030 2.801 2.105 3.776 . 0 0 "[ . 1]" 1
529 1 21 VAL MG2 1 51 PHE HZ . . 7.520 2.698 1.788 4.564 . 0 0 "[ . 1]" 1
530 1 21 VAL MG2 1 67 PHE QD . . 9.820 4.587 3.252 6.473 . 0 0 "[ . 1]" 1
531 1 21 VAL MG2 1 67 PHE QE . . 10.030 4.622 3.276 6.508 . 0 0 "[ . 1]" 1
532 1 21 VAL MG2 1 71 ILE HG12 . . 9.880 4.889 4.097 6.258 . 0 0 "[ . 1]" 1
533 1 21 VAL MG2 1 71 ILE HG13 . . 9.880 4.594 3.459 6.337 . 0 0 "[ . 1]" 1
534 1 21 VAL MG2 1 71 ILE MD . . 8.550 3.187 2.354 5.250 . 0 0 "[ . 1]" 1
535 1 21 VAL QG 1 22 VAL H . . 5.150 2.218 1.311 2.976 . 0 0 "[ . 1]" 1
536 1 21 VAL QG 1 22 VAL HA . . 8.330 3.158 2.799 3.533 . 0 0 "[ . 1]" 1
537 1 21 VAL QG 1 22 VAL QG . . 11.790 3.447 2.654 3.928 . 0 0 "[ . 1]" 1
538 1 21 VAL QG 1 46 PHE HA . . 9.110 4.054 3.546 5.007 . 0 0 "[ . 1]" 1
539 1 21 VAL QG 1 46 PHE QB . . 6.890 2.565 2.200 3.245 . 0 0 "[ . 1]" 1
540 1 21 VAL QG 1 46 PHE QD . . 9.210 2.181 1.842 2.871 . 0 0 "[ . 1]" 1
541 1 21 VAL QG 1 46 PHE QE . . 11.210 2.219 1.784 2.695 . 0 0 "[ . 1]" 1
542 1 21 VAL QG 1 51 PHE QE . . 9.000 1.984 1.686 2.640 . 0 0 "[ . 1]" 1
543 1 21 VAL QG 1 51 PHE HZ . . 6.970 2.072 1.780 2.564 . 0 0 "[ . 1]" 1
544 1 21 VAL QG 1 67 PHE HA . . 7.870 4.740 4.451 5.006 . 0 0 "[ . 1]" 1
545 1 21 VAL QG 1 67 PHE QD . . 8.840 3.811 2.720 4.658 . 0 0 "[ . 1]" 1
546 1 21 VAL QG 1 67 PHE QE . . 9.150 3.916 1.856 5.117 . 0 0 "[ . 1]" 1
547 1 21 VAL QG 1 70 TRP QB . . 8.490 3.940 3.689 4.092 . 0 0 "[ . 1]" 1
548 1 21 VAL QG 1 71 ILE H . . 7.090 4.906 4.816 4.987 . 0 0 "[ . 1]" 1
549 1 21 VAL QG 1 71 ILE HA . . 8.850 4.484 4.234 4.687 . 0 0 "[ . 1]" 1
550 1 21 VAL QG 1 71 ILE HB . . 9.370 5.534 5.326 5.980 . 0 0 "[ . 1]" 1
551 1 21 VAL QG 1 71 ILE MG . . 9.990 4.522 4.184 4.853 . 0 0 "[ . 1]" 1
552 1 21 VAL QG 1 71 ILE QG . . 8.250 3.493 2.989 4.176 . 0 0 "[ . 1]" 1
553 1 21 VAL QG 1 71 ILE MD . . 7.930 2.620 2.150 3.135 . 0 0 "[ . 1]" 1
554 1 21 VAL QG 1 74 LEU QD . . 11.010 3.181 2.783 3.471 . 0 0 "[ . 1]" 1
555 1 22 VAL H 1 22 VAL HB . . 3.580 2.326 2.163 2.454 . 0 0 "[ . 1]" 1
556 1 22 VAL H 1 23 ARG H . . 3.840 2.864 2.839 2.893 . 0 0 "[ . 1]" 1
557 1 22 VAL H 1 24 VAL H . . 4.720 4.248 4.070 4.513 . 0 0 "[ . 1]" 1
558 1 22 VAL H 1 42 ARG QG . . 5.410 4.581 4.477 4.678 . 0 0 "[ . 1]" 1
559 1 22 VAL H 1 46 PHE HZ . . 4.310 4.102 3.653 4.336 0.026 2 0 "[ . 1]" 1
560 1 22 VAL HA 1 23 ARG H . . 4.260 3.538 3.500 3.578 . 0 0 "[ . 1]" 1
561 1 22 VAL HA 1 25 CYS QB . . 5.820 2.954 2.495 3.328 . 0 0 "[ . 1]" 1
562 1 22 VAL HA 1 46 PHE QD . . 7.600 5.649 4.577 6.043 . 0 0 "[ . 1]" 1
563 1 22 VAL HA 1 46 PHE QE . . 6.560 4.578 3.317 5.084 . 0 0 "[ . 1]" 1
564 1 22 VAL HA 1 46 PHE HZ . . 5.240 5.258 5.147 5.355 0.115 6 0 "[ . 1]" 1
565 1 22 VAL HA 1 51 PHE QE . . 7.130 5.241 4.917 5.508 . 0 0 "[ . 1]" 1
566 1 22 VAL HB 1 46 PHE QD . . 8.020 5.920 5.240 6.217 . 0 0 "[ . 1]" 1
567 1 22 VAL HB 1 46 PHE QE . . 7.130 4.158 3.084 4.588 . 0 0 "[ . 1]" 1
568 1 22 VAL HB 1 46 PHE HZ . . 4.150 3.962 3.865 4.156 0.006 9 0 "[ . 1]" 1
569 1 22 VAL MG1 1 23 ARG H . . 6.270 2.030 1.767 2.341 . 0 0 "[ . 1]" 1
570 1 22 VAL MG1 1 23 ARG HA . . 6.840 3.146 2.930 3.446 . 0 0 "[ . 1]" 1
571 1 22 VAL MG1 1 23 ARG HD2 . . 10.450 4.582 3.403 5.275 . 0 0 "[ . 1]" 1
572 1 22 VAL MG1 1 23 ARG HD3 . . 10.450 4.158 3.317 6.238 . 0 0 "[ . 1]" 1
573 1 22 VAL MG1 1 25 CYS HB2 . . 9.980 5.189 4.732 5.992 . 0 0 "[ . 1]" 1
574 1 22 VAL MG1 1 25 CYS HB3 . . 9.980 6.371 5.260 6.775 . 0 0 "[ . 1]" 1
575 1 22 VAL MG1 1 26 GLU HG2 . . 7.680 4.798 4.288 5.400 . 0 0 "[ . 1]" 1
576 1 22 VAL MG1 1 26 GLU HG3 . . 7.680 4.572 3.566 5.769 . 0 0 "[ . 1]" 1
577 1 22 VAL MG1 1 42 ARG HD2 . . 9.050 6.316 5.052 7.434 . 0 0 "[ . 1]" 1
578 1 22 VAL MG1 1 42 ARG HD3 . . 9.050 6.369 5.746 7.486 . 0 0 "[ . 1]" 1
579 1 22 VAL MG1 1 46 PHE QE . . 8.790 4.884 4.334 5.200 . 0 0 "[ . 1]" 1
580 1 22 VAL MG1 1 46 PHE HZ . . 7.160 4.918 4.619 5.454 . 0 0 "[ . 1]" 1
581 1 22 VAL MG2 1 23 ARG H . . 6.270 3.819 3.523 4.125 . 0 0 "[ . 1]" 1
582 1 22 VAL MG2 1 23 ARG HA . . 6.840 3.873 3.506 4.291 . 0 0 "[ . 1]" 1
583 1 22 VAL MG2 1 23 ARG HD2 . . 10.450 5.623 4.478 6.737 . 0 0 "[ . 1]" 1
584 1 22 VAL MG2 1 23 ARG HD3 . . 10.450 5.565 4.959 7.195 . 0 0 "[ . 1]" 1
585 1 22 VAL MG2 1 25 CYS HB2 . . 9.980 3.731 3.106 4.983 . 0 0 "[ . 1]" 1
586 1 22 VAL MG2 1 25 CYS HB3 . . 9.980 4.788 4.080 5.217 . 0 0 "[ . 1]" 1
587 1 22 VAL MG2 1 26 GLU HG2 . . 7.680 3.657 3.207 4.499 . 0 0 "[ . 1]" 1
588 1 22 VAL MG2 1 26 GLU HG3 . . 7.680 3.902 3.317 5.453 . 0 0 "[ . 1]" 1
589 1 22 VAL MG2 1 42 ARG HD2 . . 9.050 3.873 2.390 5.341 . 0 0 "[ . 1]" 1
590 1 22 VAL MG2 1 42 ARG HD3 . . 9.050 4.219 3.561 5.007 . 0 0 "[ . 1]" 1
591 1 22 VAL MG2 1 46 PHE QE . . 8.790 4.787 4.072 5.135 . 0 0 "[ . 1]" 1
592 1 22 VAL MG2 1 46 PHE HZ . . 7.160 5.011 4.696 5.228 . 0 0 "[ . 1]" 1
593 1 22 VAL QG 1 23 ARG H . . 5.570 2.022 1.763 2.320 . 0 0 "[ . 1]" 1
594 1 22 VAL QG 1 23 ARG HA . . 6.300 2.998 2.858 3.096 . 0 0 "[ . 1]" 1
595 1 22 VAL QG 1 23 ARG QD . . 8.860 3.640 3.081 4.744 . 0 0 "[ . 1]" 1
596 1 22 VAL QG 1 25 CYS H . . 8.020 4.142 3.969 4.491 . 0 0 "[ . 1]" 1
597 1 22 VAL QG 1 25 CYS QB . . 7.690 3.465 2.995 3.765 . 0 0 "[ . 1]" 1
598 1 22 VAL QG 1 26 GLU QG . . 6.170 3.158 2.854 3.906 . 0 0 "[ . 1]" 1
599 1 22 VAL QG 1 42 ARG QG . . 8.390 2.979 2.613 3.539 . 0 0 "[ . 1]" 1
600 1 22 VAL QG 1 42 ARG QD . . 6.950 3.413 2.350 4.097 . 0 0 "[ . 1]" 1
601 1 22 VAL QG 1 42 ARG HE . . 7.870 2.799 1.446 4.711 . 0 0 "[ . 1]" 1
602 1 22 VAL QG 1 46 PHE QD . . 10.270 5.549 5.118 5.753 . 0 0 "[ . 1]" 1
603 1 22 VAL QG 1 46 PHE QE . . 8.120 4.297 3.732 4.555 . 0 0 "[ . 1]" 1
604 1 22 VAL QG 1 46 PHE HZ . . 6.100 4.397 4.329 4.496 . 0 0 "[ . 1]" 1
605 1 23 ARG H 1 23 ARG QG . . 4.990 4.019 3.988 4.045 . 0 0 "[ . 1]" 1
606 1 23 ARG H 1 23 ARG QD . . 5.720 3.945 3.752 4.139 . 0 0 "[ . 1]" 1
607 1 23 ARG H 1 24 VAL H . . 4.000 2.479 2.384 2.535 . 0 0 "[ . 1]" 1
608 1 23 ARG HA 1 23 ARG HD2 . . 4.260 2.762 2.002 3.660 . 0 0 "[ . 1]" 1
609 1 23 ARG HA 1 23 ARG HD3 . . 4.260 3.051 2.476 3.982 . 0 0 "[ . 1]" 1
610 1 23 ARG HA 1 23 ARG QD . . 4.050 2.500 1.987 3.341 . 0 0 "[ . 1]" 1
611 1 23 ARG HA 1 24 VAL H . . 4.460 3.561 3.536 3.595 . 0 0 "[ . 1]" 1
612 1 23 ARG HA 1 26 GLU H . . 4.000 3.420 3.173 3.883 . 0 0 "[ . 1]" 1
613 1 23 ARG HA 1 26 GLU QB . . 5.350 2.996 2.455 4.245 . 0 0 "[ . 1]" 1
614 1 23 ARG HA 1 26 GLU HG2 . . 4.930 3.558 2.183 4.449 . 0 0 "[ . 1]" 1
615 1 23 ARG HA 1 26 GLU HG3 . . 4.930 3.015 2.421 3.747 . 0 0 "[ . 1]" 1
616 1 23 ARG HA 1 26 GLU QG . . 4.720 2.740 2.152 3.539 . 0 0 "[ . 1]" 1
617 1 23 ARG HA 1 27 ASP H . . 4.520 4.387 4.258 4.496 . 0 0 "[ . 1]" 1
618 1 23 ARG HE 1 23 ARG HG2 . . 4.200 2.789 2.068 3.563 . 0 0 "[ . 1]" 1
619 1 23 ARG HG2 1 24 VAL HA . . 5.610 5.184 4.835 5.618 0.008 10 0 "[ . 1]" 1
620 1 23 ARG HG2 1 24 VAL MG1 . . 10.760 6.588 6.132 7.104 . 0 0 "[ . 1]" 1
621 1 23 ARG HG2 1 24 VAL MG2 . . 10.760 5.577 4.504 6.337 . 0 0 "[ . 1]" 1
622 1 23 ARG HE 1 23 ARG HG3 . . 4.200 3.087 2.219 4.073 . 0 0 "[ . 1]" 1
623 1 23 ARG HG3 1 24 VAL HA . . 5.610 4.539 3.836 5.627 0.017 5 0 "[ . 1]" 1
624 1 23 ARG HG3 1 24 VAL MG1 . . 10.760 6.167 5.494 7.029 . 0 0 "[ . 1]" 1
625 1 23 ARG HG3 1 24 VAL MG2 . . 10.760 5.283 4.059 6.242 . 0 0 "[ . 1]" 1
626 1 23 ARG QG 1 24 VAL H . . 5.670 4.028 3.660 4.312 . 0 0 "[ . 1]" 1
627 1 23 ARG QG 1 24 VAL HA . . 5.440 4.190 3.734 4.616 . 0 0 "[ . 1]" 1
628 1 23 ARG QG 1 24 VAL QG . . 9.140 4.511 3.710 5.020 . 0 0 "[ . 1]" 1
629 1 23 ARG HD2 1 26 GLU HG2 . . 7.380 5.191 2.792 6.570 . 0 0 "[ . 1]" 1
630 1 23 ARG HD2 1 26 GLU HG3 . . 7.380 4.472 3.368 6.009 . 0 0 "[ . 1]" 1
631 1 23 ARG HD3 1 26 GLU HG2 . . 7.380 5.886 4.346 6.988 . 0 0 "[ . 1]" 1
632 1 23 ARG HD3 1 26 GLU HG3 . . 7.380 5.105 4.144 5.875 . 0 0 "[ . 1]" 1
633 1 23 ARG QD 1 24 VAL H . . 5.610 4.554 3.010 5.021 . 0 0 "[ . 1]" 1
634 1 23 ARG QD 1 26 GLU QB . . 6.350 3.747 2.905 5.054 . 0 0 "[ . 1]" 1
635 1 23 ARG QD 1 26 GLU QG . . 6.270 3.757 2.730 4.796 . 0 0 "[ . 1]" 1
636 1 24 VAL H 1 24 VAL HB . . 3.680 2.229 2.092 2.476 . 0 0 "[ . 1]" 1
637 1 24 VAL H 1 25 CYS H . . 3.790 2.531 2.392 2.751 . 0 0 "[ . 1]" 1
638 1 24 VAL H 1 26 GLU H . . 4.720 4.232 3.969 4.555 . 0 0 "[ . 1]" 1
639 1 24 VAL HA 1 27 ASP H . . 4.150 3.683 3.479 3.845 . 0 0 "[ . 1]" 1
640 1 24 VAL HA 1 27 ASP HB2 . . 4.720 3.339 2.321 4.199 . 0 0 "[ . 1]" 1
641 1 24 VAL HA 1 27 ASP HB3 . . 4.720 3.726 3.023 4.300 . 0 0 "[ . 1]" 1
642 1 24 VAL HB 1 25 CYS H . . 4.000 3.416 2.862 4.023 0.023 4 0 "[ . 1]" 1
643 1 24 VAL HB 1 51 PHE QE . . 7.810 3.061 1.872 4.056 . 0 0 "[ . 1]" 1
644 1 24 VAL HB 1 51 PHE HZ . . 4.460 3.506 2.722 4.100 . 0 0 "[ . 1]" 1
645 1 24 VAL HB 1 55 LEU MD1 . . 6.580 4.323 3.627 5.244 . 0 0 "[ . 1]" 1
646 1 24 VAL HB 1 55 LEU MD2 . . 6.580 5.084 4.681 5.578 . 0 0 "[ . 1]" 1
647 1 24 VAL HB 1 55 LEU QD . . 5.970 4.016 3.567 4.464 . 0 0 "[ . 1]" 1
648 1 24 VAL MG1 1 25 CYS H . . 6.010 2.610 1.705 3.573 . 0 0 "[ . 1]" 1
649 1 24 VAL MG1 1 28 CYS HB2 . . 7.470 4.966 3.736 6.124 . 0 0 "[ . 1]" 1
650 1 24 VAL MG1 1 28 CYS HB3 . . 7.470 4.133 3.518 4.904 . 0 0 "[ . 1]" 1
651 1 24 VAL MG1 1 51 PHE HZ . . 7.470 3.261 2.438 4.115 . 0 0 "[ . 1]" 1
652 1 24 VAL MG1 1 54 CYS HB2 . . 9.200 2.899 2.464 3.325 . 0 0 "[ . 1]" 1
653 1 24 VAL MG1 1 54 CYS HB3 . . 9.200 2.931 2.507 3.613 . 0 0 "[ . 1]" 1
654 1 24 VAL MG1 1 55 LEU HA . . 6.690 3.946 2.840 5.096 . 0 0 "[ . 1]" 1
655 1 24 VAL MG1 1 55 LEU HB2 . . 8.780 4.609 3.909 5.290 . 0 0 "[ . 1]" 1
656 1 24 VAL MG1 1 55 LEU HB3 . . 8.780 5.315 4.435 6.190 . 0 0 "[ . 1]" 1
657 1 24 VAL MG1 1 55 LEU HG . . 7.000 3.103 1.920 4.119 . 0 0 "[ . 1]" 1
658 1 24 VAL MG1 1 55 LEU MD1 . . 9.870 2.760 1.819 3.585 . 0 0 "[ . 1]" 1
659 1 24 VAL MG1 1 55 LEU MD2 . . 9.870 3.852 2.724 4.706 . 0 0 "[ . 1]" 1
660 1 24 VAL MG1 1 58 ALA MB . . 7.980 4.735 3.799 5.525 . 0 0 "[ . 1]" 1
661 1 24 VAL MG1 1 60 ARG HD2 . . 10.190 6.235 4.595 7.542 . 0 0 "[ . 1]" 1
662 1 24 VAL MG1 1 60 ARG HD3 . . 10.190 5.946 4.314 7.280 . 0 0 "[ . 1]" 1
663 1 24 VAL MG2 1 25 CYS H . . 6.010 4.111 3.983 4.304 . 0 0 "[ . 1]" 1
664 1 24 VAL MG2 1 28 CYS HB2 . . 7.470 5.871 4.934 6.231 . 0 0 "[ . 1]" 1
665 1 24 VAL MG2 1 28 CYS HB3 . . 7.470 4.955 3.526 6.154 . 0 0 "[ . 1]" 1
666 1 24 VAL MG2 1 51 PHE HZ . . 7.470 3.579 3.004 4.489 . 0 0 "[ . 1]" 1
667 1 24 VAL MG2 1 54 CYS HB2 . . 9.200 4.314 2.397 5.807 . 0 0 "[ . 1]" 1
668 1 24 VAL MG2 1 54 CYS HB3 . . 9.200 4.105 2.384 5.558 . 0 0 "[ . 1]" 1
669 1 24 VAL MG2 1 55 LEU HA . . 6.690 3.623 2.735 4.701 . 0 0 "[ . 1]" 1
670 1 24 VAL MG2 1 55 LEU HB2 . . 8.780 4.805 3.963 5.992 . 0 0 "[ . 1]" 1
671 1 24 VAL MG2 1 55 LEU HB3 . . 8.780 5.015 4.386 6.050 . 0 0 "[ . 1]" 1
672 1 24 VAL MG2 1 55 LEU HG . . 7.000 2.656 1.875 3.711 . 0 0 "[ . 1]" 1
673 1 24 VAL MG2 1 55 LEU MD1 . . 9.870 2.917 1.952 4.031 . 0 0 "[ . 1]" 1
674 1 24 VAL MG2 1 55 LEU MD2 . . 9.870 3.078 2.460 3.824 . 0 0 "[ . 1]" 1
675 1 24 VAL MG2 1 58 ALA MB . . 7.980 4.049 3.269 4.905 . 0 0 "[ . 1]" 1
676 1 24 VAL MG2 1 60 ARG HD2 . . 10.190 4.661 4.084 5.140 . 0 0 "[ . 1]" 1
677 1 24 VAL MG2 1 60 ARG HD3 . . 10.190 4.353 3.355 5.792 . 0 0 "[ . 1]" 1
678 1 24 VAL QG 1 25 CYS H . . 5.710 2.539 1.703 3.341 . 0 0 "[ . 1]" 1
679 1 24 VAL QG 1 25 CYS HA . . 8.280 3.068 2.788 3.552 . 0 0 "[ . 1]" 1
680 1 24 VAL QG 1 27 ASP H . . 8.070 4.430 4.247 4.629 . 0 0 "[ . 1]" 1
681 1 24 VAL QG 1 28 CYS QB . . 7.110 3.541 3.251 3.871 . 0 0 "[ . 1]" 1
682 1 24 VAL QG 1 51 PHE HA . . 8.390 3.537 3.101 3.906 . 0 0 "[ . 1]" 1
683 1 24 VAL QG 1 51 PHE QE . . 10.020 2.310 1.774 3.063 . 0 0 "[ . 1]" 1
684 1 24 VAL QG 1 51 PHE HZ . . 6.670 2.838 2.420 3.177 . 0 0 "[ . 1]" 1
685 1 24 VAL QG 1 54 CYS H . . 7.660 4.461 4.064 4.784 . 0 0 "[ . 1]" 1
686 1 24 VAL QG 1 54 CYS HA . . 8.490 4.574 4.179 4.967 . 0 0 "[ . 1]" 1
687 1 24 VAL QG 1 54 CYS QB . . 7.570 2.425 2.087 2.756 . 0 0 "[ . 1]" 1
688 1 24 VAL QG 1 55 LEU H . . 7.290 3.385 3.045 3.749 . 0 0 "[ . 1]" 1
689 1 24 VAL QG 1 55 LEU HA . . 6.080 2.995 2.711 3.247 . 0 0 "[ . 1]" 1
690 1 24 VAL QG 1 55 LEU QB . . 7.170 3.701 3.553 3.974 . 0 0 "[ . 1]" 1
691 1 24 VAL QG 1 55 LEU HG . . 6.140 2.202 1.867 2.500 . 0 0 "[ . 1]" 1
692 1 24 VAL QG 1 55 LEU QD . . 7.680 2.152 1.790 2.469 . 0 0 "[ . 1]" 1
693 1 24 VAL QG 1 57 ALA MB . . 10.610 5.253 4.963 5.664 . 0 0 "[ . 1]" 1
694 1 24 VAL QG 1 58 ALA MB . . 7.220 3.614 3.222 3.883 . 0 0 "[ . 1]" 1
695 1 24 VAL QG 1 60 ARG QD . . 8.590 3.771 3.256 4.360 . 0 0 "[ . 1]" 1
696 1 24 VAL QG 1 67 PHE QD . . 9.810 3.814 3.189 4.432 . 0 0 "[ . 1]" 1
697 1 24 VAL QG 1 67 PHE QE . . 10.070 2.985 1.792 3.990 . 0 0 "[ . 1]" 1
698 1 25 CYS H 1 25 CYS HB2 . . 4.000 2.553 2.352 2.744 . 0 0 "[ . 1]" 1
699 1 25 CYS H 1 25 CYS HB3 . . 4.000 3.477 2.597 3.600 . 0 0 "[ . 1]" 1
700 1 25 CYS H 1 25 CYS QB . . 3.810 2.484 2.186 2.657 . 0 0 "[ . 1]" 1
701 1 25 CYS H 1 26 GLU H . . 3.890 2.574 2.377 2.762 . 0 0 "[ . 1]" 1
702 1 25 CYS H 1 27 ASP H . . 4.670 4.261 3.751 4.646 . 0 0 "[ . 1]" 1
703 1 25 CYS HA 1 26 GLU H . . 4.570 3.586 3.545 3.615 . 0 0 "[ . 1]" 1
704 1 25 CYS HA 1 28 CYS H . . 4.310 3.608 3.319 4.069 . 0 0 "[ . 1]" 1
705 1 25 CYS HA 1 29 THR H . . 4.670 3.691 3.204 3.920 . 0 0 "[ . 1]" 1
706 1 25 CYS HA 1 38 ASP HA . . 4.980 4.009 3.451 5.118 0.138 9 0 "[ . 1]" 1
707 1 25 CYS HA 1 41 CYS HB2 . . 5.400 3.436 2.768 4.580 . 0 0 "[ . 1]" 1
708 1 25 CYS HA 1 41 CYS HB3 . . 5.400 3.358 2.683 3.936 . 0 0 "[ . 1]" 1
709 1 25 CYS HA 1 41 CYS QB . . 4.790 3.016 2.426 3.679 . 0 0 "[ . 1]" 1
710 1 25 CYS HB2 1 26 GLU H . . 4.200 2.657 2.188 3.668 . 0 0 "[ . 1]" 1
711 1 25 CYS HB2 1 38 ASP HA . . 4.570 3.573 2.839 4.101 . 0 0 "[ . 1]" 1
712 1 25 CYS HB2 1 41 CYS HB2 . . 5.140 4.573 2.571 5.084 . 0 0 "[ . 1]" 1
713 1 25 CYS HB2 1 41 CYS HB3 . . 5.140 3.407 2.112 3.867 . 0 0 "[ . 1]" 1
714 1 25 CYS HB2 1 42 ARG HG2 . . 5.610 3.192 2.817 4.596 . 0 0 "[ . 1]" 1
715 1 25 CYS HB2 1 42 ARG HG3 . . 5.610 3.910 3.278 4.409 . 0 0 "[ . 1]" 1
716 1 25 CYS HB3 1 26 GLU H . . 4.200 3.618 2.345 4.057 . 0 0 "[ . 1]" 1
717 1 25 CYS HB3 1 38 ASP HA . . 4.570 2.332 1.745 3.494 . 0 0 "[ . 1]" 1
718 1 25 CYS HB3 1 41 CYS HB2 . . 5.140 3.212 2.827 3.751 . 0 0 "[ . 1]" 1
719 1 25 CYS HB3 1 41 CYS HB3 . . 5.140 2.225 1.766 3.703 . 0 0 "[ . 1]" 1
720 1 25 CYS HB3 1 42 ARG HG2 . . 5.610 3.524 3.214 4.429 . 0 0 "[ . 1]" 1
721 1 25 CYS HB3 1 42 ARG HG3 . . 5.610 3.569 2.655 4.380 . 0 0 "[ . 1]" 1
722 1 25 CYS QB 1 38 ASP HA . . 4.380 2.293 1.730 3.311 . 0 0 "[ . 1]" 1
723 1 25 CYS QB 1 38 ASP QB . . 7.800 3.509 2.708 4.716 . 0 0 "[ . 1]" 1
724 1 25 CYS QB 1 41 CYS H . . 5.400 4.250 3.881 4.648 . 0 0 "[ . 1]" 1
725 1 25 CYS QB 1 41 CYS QB . . 4.640 2.018 1.742 2.316 . 0 0 "[ . 1]" 1
726 1 25 CYS QB 1 42 ARG QG . . 5.300 2.714 2.311 3.438 . 0 0 "[ . 1]" 1
727 1 26 GLU H 1 26 GLU QG . . 4.730 2.372 1.979 2.969 . 0 0 "[ . 1]" 1
728 1 26 GLU H 1 27 ASP H . . 4.050 2.862 2.631 3.038 . 0 0 "[ . 1]" 1
729 1 26 GLU H 1 27 ASP QB . . 5.510 4.476 4.342 4.665 . 0 0 "[ . 1]" 1
730 1 26 GLU H 1 28 CYS H . . 4.880 4.474 3.970 4.882 0.002 7 0 "[ . 1]" 1
731 1 26 GLU HA 1 27 ASP H . . 4.150 3.600 3.546 3.613 . 0 0 "[ . 1]" 1
732 1 26 GLU HA 1 38 ASP QB . . 6.030 3.984 3.044 5.289 . 0 0 "[ . 1]" 1
733 1 26 GLU QB 1 27 ASP H . . 5.250 2.587 2.129 3.520 . 0 0 "[ . 1]" 1
734 1 26 GLU QB 1 27 ASP HA . . 6.760 3.945 3.727 4.535 . 0 0 "[ . 1]" 1
735 1 27 ASP H 1 27 ASP HB2 . . 3.840 2.251 2.026 2.694 . 0 0 "[ . 1]" 1
736 1 27 ASP H 1 27 ASP HB3 . . 3.840 2.966 2.301 3.504 . 0 0 "[ . 1]" 1
737 1 27 ASP H 1 27 ASP QB . . 3.640 2.109 2.009 2.207 . 0 0 "[ . 1]" 1
738 1 27 ASP H 1 28 CYS H . . 4.100 2.924 2.671 3.173 . 0 0 "[ . 1]" 1
739 1 27 ASP HA 1 28 CYS HA . . 5.660 4.814 4.791 4.845 . 0 0 "[ . 1]" 1
740 1 27 ASP HA 1 29 THR MG . . 7.420 5.548 4.267 6.206 . 0 0 "[ . 1]" 1
741 1 27 ASP HA 1 30 ASN H . . 4.200 3.663 3.510 3.757 . 0 0 "[ . 1]" 1
742 1 27 ASP HA 1 30 ASN QB . . 5.200 3.115 2.466 3.415 . 0 0 "[ . 1]" 1
743 1 27 ASP HA 1 30 ASN HD21 . . 4.360 2.273 1.508 3.443 . 0 0 "[ . 1]" 1
744 1 27 ASP HA 1 30 ASN HD22 . . 4.360 3.185 2.233 4.461 0.101 2 0 "[ . 1]" 1
745 1 27 ASP HA 1 31 ILE MD . . 7.050 3.785 3.564 3.983 . 0 0 "[ . 1]" 1
746 1 27 ASP HB2 1 28 CYS H . . 4.150 3.240 2.399 3.857 . 0 0 "[ . 1]" 1
747 1 27 ASP HB2 1 31 ILE MD . . 6.270 4.748 4.556 4.903 . 0 0 "[ . 1]" 1
748 1 27 ASP HB3 1 28 CYS H . . 4.150 2.512 2.218 2.934 . 0 0 "[ . 1]" 1
749 1 27 ASP HB3 1 31 ILE MD . . 6.270 3.766 3.164 4.609 . 0 0 "[ . 1]" 1
750 1 27 ASP QB 1 28 CYS HA . . 5.980 3.916 3.677 4.354 . 0 0 "[ . 1]" 1
751 1 27 ASP QB 1 58 ALA MB . . 6.950 3.413 2.963 4.100 . 0 0 "[ . 1]" 1
752 1 28 CYS H 1 29 THR H . . 4.000 2.821 2.693 2.948 . 0 0 "[ . 1]" 1
753 1 28 CYS H 1 30 ASN H . . 4.930 3.984 3.766 4.105 . 0 0 "[ . 1]" 1
754 1 28 CYS HA 1 31 ILE H . . 4.360 2.986 2.872 3.080 . 0 0 "[ . 1]" 1
755 1 28 CYS HA 1 31 ILE HB . . 3.890 2.458 2.305 2.629 . 0 0 "[ . 1]" 1
756 1 28 CYS HA 1 31 ILE MG . . 6.580 3.917 3.793 4.061 . 0 0 "[ . 1]" 1
757 1 28 CYS HA 1 31 ILE QG . . 6.340 3.267 2.976 3.542 . 0 0 "[ . 1]" 1
758 1 28 CYS HA 1 31 ILE MD . . 5.440 2.294 1.841 2.768 . 0 0 "[ . 1]" 1
759 1 28 CYS HA 1 32 PHE H . . 4.620 4.371 4.164 4.491 . 0 0 "[ . 1]" 1
760 1 28 CYS HA 1 32 PHE QD . . 7.650 4.661 4.017 5.509 . 0 0 "[ . 1]" 1
761 1 28 CYS HA 1 54 CYS HA . . 5.090 3.849 3.586 4.121 . 0 0 "[ . 1]" 1
762 1 28 CYS HA 1 54 CYS QB . . 6.550 4.136 3.865 4.389 . 0 0 "[ . 1]" 1
763 1 28 CYS HB2 1 54 CYS HA . . 4.830 1.977 1.747 2.485 . 0 0 "[ . 1]" 1
764 1 28 CYS HB2 1 54 CYS HB2 . . 4.930 3.907 3.293 4.267 . 0 0 "[ . 1]" 1
765 1 28 CYS HB2 1 54 CYS HB3 . . 4.930 2.595 1.728 3.195 . 0 0 "[ . 1]" 1
766 1 28 CYS HB2 1 58 ALA MB . . 7.830 4.805 3.854 5.391 . 0 0 "[ . 1]" 1
767 1 28 CYS HB3 1 54 CYS HA . . 4.830 2.764 1.921 3.659 . 0 0 "[ . 1]" 1
768 1 28 CYS HB3 1 54 CYS HB2 . . 4.930 3.483 3.275 3.757 . 0 0 "[ . 1]" 1
769 1 28 CYS HB3 1 54 CYS HB3 . . 4.930 1.896 1.730 2.269 . 0 0 "[ . 1]" 1
770 1 28 CYS HB3 1 58 ALA MB . . 7.830 4.737 4.137 5.699 . 0 0 "[ . 1]" 1
771 1 28 CYS QB 1 29 THR H . . 4.880 3.009 2.427 3.387 . 0 0 "[ . 1]" 1
772 1 28 CYS QB 1 30 ASN H . . 5.450 4.608 4.332 4.811 . 0 0 "[ . 1]" 1
773 1 28 CYS QB 1 54 CYS H . . 4.990 4.139 3.884 4.394 . 0 0 "[ . 1]" 1
774 1 28 CYS QB 1 54 CYS QB . . 4.470 1.736 1.644 1.869 . 0 0 "[ . 1]" 1
775 1 28 CYS QB 1 57 ALA H . . 5.450 4.004 3.681 4.511 . 0 0 "[ . 1]" 1
776 1 28 CYS QB 1 57 ALA MB . . 8.670 2.675 2.306 3.339 . 0 0 "[ . 1]" 1
777 1 28 CYS QB 1 58 ALA MB . . 7.620 4.121 3.687 4.374 . 0 0 "[ . 1]" 1
778 1 29 THR H 1 29 THR HB . . 3.740 2.402 2.078 2.639 . 0 0 "[ . 1]" 1
779 1 29 THR H 1 30 ASN H . . 3.790 2.806 2.685 2.880 . 0 0 "[ . 1]" 1
780 1 29 THR H 1 31 ILE H . . 4.520 4.349 4.259 4.484 . 0 0 "[ . 1]" 1
781 1 29 THR H 1 37 LEU QB . . 5.510 4.577 4.239 4.744 . 0 0 "[ . 1]" 1
782 1 29 THR H 1 37 LEU QD . . 7.760 3.635 3.134 4.605 . 0 0 "[ . 1]" 1
783 1 29 THR HA 1 30 ASN H . . 4.200 3.518 3.495 3.541 . 0 0 "[ . 1]" 1
784 1 29 THR HA 1 31 ILE H . . 4.720 4.544 4.414 4.679 . 0 0 "[ . 1]" 1
785 1 29 THR HA 1 32 PHE H . . 4.150 3.860 3.725 4.014 . 0 0 "[ . 1]" 1
786 1 29 THR HA 1 32 PHE HB2 . . 5.820 3.905 3.724 4.068 . 0 0 "[ . 1]" 1
787 1 29 THR HA 1 32 PHE HB3 . . 5.820 5.458 4.826 5.840 0.020 4 0 "[ . 1]" 1
788 1 29 THR HA 1 32 PHE QB . . 5.380 3.820 3.607 3.995 . 0 0 "[ . 1]" 1
789 1 29 THR HA 1 34 LEU HB2 . . 5.920 4.387 3.871 4.671 . 0 0 "[ . 1]" 1
790 1 29 THR HA 1 34 LEU HB3 . . 5.920 5.748 5.508 5.886 . 0 0 "[ . 1]" 1
791 1 29 THR HA 1 34 LEU QB . . 5.710 4.252 3.798 4.486 . 0 0 "[ . 1]" 1
792 1 29 THR HA 1 37 LEU HB2 . . 4.520 3.970 2.619 4.237 . 0 0 "[ . 1]" 1
793 1 29 THR HA 1 37 LEU HB3 . . 4.520 2.978 2.642 3.819 . 0 0 "[ . 1]" 1
794 1 29 THR HA 1 37 LEU MD1 . . 6.060 4.585 2.624 5.080 . 0 0 "[ . 1]" 1
795 1 29 THR HA 1 37 LEU MD2 . . 6.060 2.558 1.927 4.963 . 0 0 "[ . 1]" 1
796 1 29 THR HA 1 37 LEU QD . . 5.640 2.318 1.925 2.638 . 0 0 "[ . 1]" 1
797 1 29 THR HB 1 30 ASN H . . 4.000 3.212 2.849 3.944 . 0 0 "[ . 1]" 1
798 1 29 THR HB 1 37 LEU QB . . 5.930 4.461 3.244 4.937 . 0 0 "[ . 1]" 1
799 1 29 THR HB 1 37 LEU QD . . 8.440 4.428 3.409 5.161 . 0 0 "[ . 1]" 1
800 1 29 THR HB 1 38 ASP QB . . 5.870 3.540 2.090 4.848 . 0 0 "[ . 1]" 1
801 1 29 THR MG 1 30 ASN H . . 5.700 3.201 1.968 3.851 . 0 0 "[ . 1]" 1
802 1 29 THR MG 1 30 ASN HA . . 6.430 3.429 2.951 3.842 . 0 0 "[ . 1]" 1
803 1 29 THR MG 1 33 ARG HA . . 6.790 3.626 3.189 4.295 . 0 0 "[ . 1]" 1
804 1 29 THR MG 1 37 LEU QB . . 6.380 3.523 2.492 4.596 . 0 0 "[ . 1]" 1
805 1 29 THR MG 1 37 LEU QD . . 9.190 3.898 3.368 4.484 . 0 0 "[ . 1]" 1
806 1 29 THR MG 1 38 ASP HA . . 6.270 4.144 3.604 4.797 . 0 0 "[ . 1]" 1
807 1 29 THR MG 1 38 ASP QB . . 6.480 2.821 2.053 3.618 . 0 0 "[ . 1]" 1
808 1 30 ASN H 1 31 ILE H . . 3.840 2.446 2.380 2.515 . 0 0 "[ . 1]" 1
809 1 30 ASN H 1 31 ILE HB . . 4.200 4.250 4.195 4.310 0.110 9 0 "[ . 1]" 1
810 1 30 ASN H 1 31 ILE MD . . 6.220 3.426 3.039 3.807 . 0 0 "[ . 1]" 1
811 1 30 ASN H 1 32 PHE H . . 4.520 4.281 4.199 4.403 . 0 0 "[ . 1]" 1
812 1 30 ASN HA 1 30 ASN HD21 . . 4.780 4.333 3.379 4.553 . 0 0 "[ . 1]" 1
813 1 30 ASN HA 1 30 ASN HD22 . . 4.780 4.701 4.006 4.926 0.146 8 0 "[ . 1]" 1
814 1 30 ASN HA 1 30 ASN QD . . 4.620 3.996 3.210 4.161 . 0 0 "[ . 1]" 1
815 1 30 ASN HA 1 31 ILE H . . 4.100 3.581 3.567 3.595 . 0 0 "[ . 1]" 1
816 1 30 ASN HA 1 33 ARG HA . . 4.620 2.682 2.591 2.791 . 0 0 "[ . 1]" 1
817 1 30 ASN HA 1 33 ARG QB . . 6.030 4.464 4.288 4.584 . 0 0 "[ . 1]" 1
818 1 30 ASN HA 1 33 ARG QD . . 6.180 4.519 4.270 5.045 . 0 0 "[ . 1]" 1
819 1 30 ASN HB2 1 33 ARG HG2 . . 7.120 5.308 4.425 5.794 . 0 0 "[ . 1]" 1
820 1 30 ASN HB2 1 33 ARG HG3 . . 7.120 6.377 5.519 7.134 0.014 4 0 "[ . 1]" 1
821 1 30 ASN HB3 1 33 ARG HG2 . . 7.120 4.590 4.000 5.599 . 0 0 "[ . 1]" 1
822 1 30 ASN HB3 1 33 ARG HG3 . . 7.120 5.572 4.621 6.599 . 0 0 "[ . 1]" 1
823 1 30 ASN QB 1 31 ILE H . . 4.940 2.604 2.429 2.940 . 0 0 "[ . 1]" 1
824 1 30 ASN QB 1 33 ARG QG . . 6.130 4.034 3.644 4.319 . 0 0 "[ . 1]" 1
825 1 31 ILE H 1 31 ILE HB . . 3.740 2.207 2.116 2.297 . 0 0 "[ . 1]" 1
826 1 31 ILE H 1 31 ILE HG12 . . 3.940 3.831 3.704 3.931 . 0 0 "[ . 1]" 1
827 1 31 ILE H 1 31 ILE HG13 . . 3.940 3.789 3.636 3.988 0.048 8 0 "[ . 1]" 1
828 1 31 ILE H 1 31 ILE MD . . 5.600 1.810 1.458 2.107 . 0 0 "[ . 1]" 1
829 1 31 ILE H 1 32 PHE H . . 3.840 2.939 2.817 3.037 . 0 0 "[ . 1]" 1
830 1 31 ILE HA 1 31 ILE HG12 . . 4.200 3.560 3.537 3.594 . 0 0 "[ . 1]" 1
831 1 31 ILE HA 1 31 ILE HG13 . . 4.200 2.323 2.262 2.372 . 0 0 "[ . 1]" 1
832 1 31 ILE HA 1 31 ILE QG . . 4.020 2.294 2.237 2.339 . 0 0 "[ . 1]" 1
833 1 31 ILE HA 1 32 PHE H . . 4.310 3.610 3.606 3.615 . 0 0 "[ . 1]" 1
834 1 31 ILE HA 1 33 ARG QB . . 6.500 5.645 5.592 5.691 . 0 0 "[ . 1]" 1
835 1 31 ILE HA 1 57 ALA MB . . 6.320 4.328 4.223 4.492 . 0 0 "[ . 1]" 1
836 1 31 ILE HB 1 32 PHE H . . 4.000 2.598 2.448 2.747 . 0 0 "[ . 1]" 1
837 1 31 ILE HB 1 32 PHE QD . . 7.500 3.684 3.051 4.412 . 0 0 "[ . 1]" 1
838 1 31 ILE MG 1 32 PHE H . . 5.650 2.670 2.488 2.850 . 0 0 "[ . 1]" 1
839 1 31 ILE MG 1 32 PHE HA . . 6.380 3.175 3.084 3.267 . 0 0 "[ . 1]" 1
840 1 31 ILE MG 1 32 PHE QB . . 8.350 3.555 3.108 3.839 . 0 0 "[ . 1]" 1
841 1 31 ILE MG 1 32 PHE QD . . 9.150 2.880 2.435 3.046 . 0 0 "[ . 1]" 1
842 1 31 ILE MG 1 32 PHE QE . . 9.310 3.171 2.822 3.705 . 0 0 "[ . 1]" 1
843 1 31 ILE MG 1 33 ARG QB . . 9.240 5.582 5.567 5.606 . 0 0 "[ . 1]" 1
844 1 31 ILE MG 1 34 LEU QD . . 8.510 4.830 4.724 4.894 . 0 0 "[ . 1]" 1
845 1 31 ILE MG 1 57 ALA H . . 6.580 4.591 4.389 4.821 . 0 0 "[ . 1]" 1
846 1 31 ILE MG 1 57 ALA HA . . 7.050 3.037 2.789 3.434 . 0 0 "[ . 1]" 1
847 1 31 ILE MG 1 57 ALA MB . . 6.520 1.781 1.668 1.827 . 0 0 "[ . 1]" 1
848 1 31 ILE MG 1 58 ALA HA . . 7.360 5.491 4.862 5.771 . 0 0 "[ . 1]" 1
849 1 31 ILE MG 1 58 ALA MB . . 8.760 5.560 5.049 5.809 . 0 0 "[ . 1]" 1
850 1 31 ILE QG 1 32 PHE H . . 5.150 4.400 4.321 4.449 . 0 0 "[ . 1]" 1
851 1 31 ILE QG 1 57 ALA H . . 5.560 4.689 4.629 4.746 . 0 0 "[ . 1]" 1
852 1 31 ILE QG 1 57 ALA HA . . 6.390 3.268 2.983 3.720 . 0 0 "[ . 1]" 1
853 1 31 ILE QG 1 57 ALA MB . . 6.490 1.851 1.817 1.918 . 0 0 "[ . 1]" 1
854 1 31 ILE QG 1 58 ALA HA . . 6.340 3.856 3.254 4.152 . 0 0 "[ . 1]" 1
855 1 31 ILE MD 1 32 PHE H . . 5.860 4.012 3.822 4.158 . 0 0 "[ . 1]" 1
856 1 31 ILE MD 1 32 PHE QD . . 9.620 5.177 4.602 5.913 . 0 0 "[ . 1]" 1
857 1 31 ILE MD 1 32 PHE QE . . 9.510 5.565 4.567 6.945 . 0 0 "[ . 1]" 1
858 1 31 ILE MD 1 57 ALA HA . . 6.580 4.792 4.497 5.322 . 0 0 "[ . 1]" 1
859 1 31 ILE MD 1 57 ALA MB . . 6.680 2.805 2.508 3.278 . 0 0 "[ . 1]" 1
860 1 31 ILE MD 1 58 ALA H . . 6.120 4.970 4.897 5.051 . 0 0 "[ . 1]" 1
861 1 31 ILE MD 1 58 ALA HA . . 5.540 3.780 3.582 3.915 . 0 0 "[ . 1]" 1
862 1 31 ILE MD 1 58 ALA MB . . 6.880 3.759 3.424 4.007 . 0 0 "[ . 1]" 1
863 1 32 PHE H 1 32 PHE HB2 . . 3.890 2.463 2.125 2.726 . 0 0 "[ . 1]" 1
864 1 32 PHE H 1 32 PHE HB3 . . 3.890 3.567 3.396 3.639 . 0 0 "[ . 1]" 1
865 1 32 PHE H 1 33 ARG H . . 3.840 2.220 2.198 2.259 . 0 0 "[ . 1]" 1
866 1 32 PHE H 1 33 ARG QB . . 5.300 4.712 4.669 4.747 . 0 0 "[ . 1]" 1
867 1 32 PHE H 1 34 LEU H . . 4.260 3.966 3.717 4.268 0.008 9 0 "[ . 1]" 1
868 1 32 PHE HA 1 33 ARG H . . 4.000 3.476 3.449 3.500 . 0 0 "[ . 1]" 1
869 1 32 PHE HA 1 33 ARG QB . . 6.550 3.817 3.758 3.870 . 0 0 "[ . 1]" 1
870 1 32 PHE HA 1 33 ARG HG2 . . 5.820 5.888 5.861 5.915 0.095 4 0 "[ . 1]" 1
871 1 32 PHE HA 1 33 ARG HG3 . . 5.820 5.529 5.214 5.865 0.045 7 0 "[ . 1]" 1
872 1 32 PHE HA 1 34 LEU H . . 4.460 4.212 3.752 4.496 0.036 3 0 "[ . 1]" 1
873 1 32 PHE HA 1 34 LEU QD . . 8.590 3.352 2.964 3.930 . 0 0 "[ . 1]" 1
874 1 32 PHE HA 1 37 LEU QD . . 7.970 4.910 4.119 5.283 . 0 0 "[ . 1]" 1
875 1 32 PHE HB2 1 33 ARG H . . 4.360 3.154 3.007 3.274 . 0 0 "[ . 1]" 1
876 1 32 PHE HB2 1 34 LEU HB2 . . 5.350 2.980 2.535 3.692 . 0 0 "[ . 1]" 1
877 1 32 PHE HB2 1 34 LEU HB3 . . 5.350 4.685 4.311 5.298 . 0 0 "[ . 1]" 1
878 1 32 PHE HB2 1 34 LEU HG . . 5.190 4.208 3.016 4.851 . 0 0 "[ . 1]" 1
879 1 32 PHE HB2 1 34 LEU MD1 . . 8.150 2.389 1.977 2.932 . 0 0 "[ . 1]" 1
880 1 32 PHE HB2 1 34 LEU MD2 . . 8.150 4.382 3.868 4.962 . 0 0 "[ . 1]" 1
881 1 32 PHE HB2 1 37 LEU MD1 . . 6.010 4.112 1.750 4.625 . 0 0 "[ . 1]" 1
882 1 32 PHE HB2 1 37 LEU MD2 . . 6.010 2.860 2.485 4.045 . 0 0 "[ . 1]" 1
883 1 32 PHE HB3 1 33 ARG H . . 4.360 4.031 3.632 4.289 . 0 0 "[ . 1]" 1
884 1 32 PHE HB3 1 34 LEU HB2 . . 5.350 3.283 3.047 3.484 . 0 0 "[ . 1]" 1
885 1 32 PHE HB3 1 34 LEU HB3 . . 5.350 4.676 4.246 4.981 . 0 0 "[ . 1]" 1
886 1 32 PHE HB3 1 34 LEU HG . . 5.190 3.535 1.887 4.675 . 0 0 "[ . 1]" 1
887 1 32 PHE HB3 1 34 LEU MD1 . . 8.150 1.826 1.742 1.915 . 0 0 "[ . 1]" 1
888 1 32 PHE HB3 1 34 LEU MD2 . . 8.150 3.581 3.406 3.715 . 0 0 "[ . 1]" 1
889 1 32 PHE HB3 1 37 LEU MD1 . . 6.010 4.599 2.631 4.892 . 0 0 "[ . 1]" 1
890 1 32 PHE HB3 1 37 LEU MD2 . . 6.010 3.825 3.405 4.552 . 0 0 "[ . 1]" 1
891 1 32 PHE QB 1 33 ARG H . . 4.130 3.036 2.938 3.117 . 0 0 "[ . 1]" 1
892 1 32 PHE QB 1 34 LEU H . . 5.040 2.568 2.422 2.739 . 0 0 "[ . 1]" 1
893 1 32 PHE QB 1 34 LEU QB . . 4.980 2.656 2.451 2.985 . 0 0 "[ . 1]" 1
894 1 32 PHE QB 1 34 LEU HG . . 4.920 3.278 1.879 4.195 . 0 0 "[ . 1]" 1
895 1 32 PHE QB 1 34 LEU QD . . 6.390 1.749 1.658 1.884 . 0 0 "[ . 1]" 1
896 1 32 PHE QB 1 37 LEU QB . . 6.760 3.965 3.752 4.147 . 0 0 "[ . 1]" 1
897 1 32 PHE QB 1 37 LEU QD . . 5.520 2.534 1.723 2.991 . 0 0 "[ . 1]" 1
898 1 32 PHE QD 1 34 LEU HG . . 7.440 5.258 3.490 6.239 . 0 0 "[ . 1]" 1
899 1 32 PHE QD 1 34 LEU QD . . 10.530 3.140 2.211 3.455 . 0 0 "[ . 1]" 1
900 1 32 PHE QD 1 37 LEU HG . . 8.070 5.005 4.432 6.063 . 0 0 "[ . 1]" 1
901 1 32 PHE QD 1 37 LEU MD1 . . 8.420 3.770 1.855 4.632 . 0 0 "[ . 1]" 1
902 1 32 PHE QD 1 37 LEU MD2 . . 8.420 2.477 1.915 3.849 . 0 0 "[ . 1]" 1
903 1 32 PHE QD 1 37 LEU QD . . 8.200 2.257 1.851 3.160 . 0 0 "[ . 1]" 1
904 1 32 PHE QD 1 53 ILE MG . . 9.200 4.354 3.989 4.716 . 0 0 "[ . 1]" 1
905 1 32 PHE QD 1 57 ALA MB . . 8.780 3.719 3.082 3.962 . 0 0 "[ . 1]" 1
906 1 32 PHE QE 1 34 LEU MD1 . . 9.770 4.724 3.669 5.238 . 0 0 "[ . 1]" 1
907 1 32 PHE QE 1 34 LEU MD2 . . 9.770 6.010 5.285 6.353 . 0 0 "[ . 1]" 1
908 1 32 PHE QE 1 37 LEU QD . . 11.000 3.183 2.434 4.348 . 0 0 "[ . 1]" 1
909 1 32 PHE QE 1 53 ILE MG . . 8.320 3.360 2.834 3.749 . 0 0 "[ . 1]" 1
910 1 32 PHE QE 1 57 ALA HA . . 8.020 4.860 4.231 5.909 . 0 0 "[ . 1]" 1
911 1 32 PHE QE 1 57 ALA MB . . 7.800 2.904 1.951 4.262 . 0 0 "[ . 1]" 1
912 1 32 PHE HZ 1 34 LEU QD . . 8.590 5.761 4.835 6.242 . 0 0 "[ . 1]" 1
913 1 32 PHE HZ 1 37 LEU QD . . 8.540 4.621 3.765 5.648 . 0 0 "[ . 1]" 1
914 1 32 PHE HZ 1 53 ILE MG . . 6.530 3.865 2.585 5.400 . 0 0 "[ . 1]" 1
915 1 33 ARG H 1 33 ARG QG . . 4.780 3.317 3.159 3.520 . 0 0 "[ . 1]" 1
916 1 33 ARG H 1 34 LEU H . . 3.840 2.761 2.546 3.083 . 0 0 "[ . 1]" 1
917 1 33 ARG H 1 34 LEU QB . . 5.350 4.562 4.453 4.635 . 0 0 "[ . 1]" 1
918 1 33 ARG H 1 34 LEU QD . . 8.060 4.016 3.487 4.552 . 0 0 "[ . 1]" 1
919 1 33 ARG H 1 37 LEU QD . . 8.020 4.363 3.712 4.635 . 0 0 "[ . 1]" 1
920 1 33 ARG HA 1 33 ARG HG2 . . 4.000 1.957 1.930 1.991 . 0 0 "[ . 1]" 1
921 1 33 ARG HA 1 33 ARG HG3 . . 4.000 3.298 3.233 3.386 . 0 0 "[ . 1]" 1
922 1 33 ARG HA 1 33 ARG QG . . 3.780 1.943 1.916 1.977 . 0 0 "[ . 1]" 1
923 1 33 ARG HA 1 34 LEU H . . 3.480 3.213 2.996 3.533 0.053 7 0 "[ . 1]" 1
924 1 33 ARG HA 1 34 LEU HA . . 5.300 4.743 4.562 4.984 . 0 0 "[ . 1]" 1
925 1 33 ARG QG 1 34 LEU H . . 4.990 4.585 4.563 4.623 . 0 0 "[ . 1]" 1
926 1 34 LEU H 1 34 LEU HG . . 3.740 3.003 2.420 3.742 0.002 5 0 "[ . 1]" 1
927 1 34 LEU H 1 35 PRO QD . . 5.200 4.215 4.120 4.276 . 0 0 "[ . 1]" 1
928 1 34 LEU H 1 37 LEU QD . . 7.450 3.791 3.062 4.559 . 0 0 "[ . 1]" 1
929 1 34 LEU HA 1 35 PRO HA . . 5.350 4.432 4.418 4.446 . 0 0 "[ . 1]" 1
930 1 34 LEU HA 1 35 PRO HB2 . . 5.350 5.508 5.497 5.524 0.174 5 0 "[ . 1]" 1
931 1 34 LEU HA 1 35 PRO HB3 . . 5.350 4.723 4.706 4.743 . 0 0 "[ . 1]" 1
932 1 34 LEU HA 1 35 PRO HG2 . . 4.880 4.228 4.182 4.281 . 0 0 "[ . 1]" 1
933 1 34 LEU HA 1 35 PRO HG3 . . 4.880 4.335 4.323 4.354 . 0 0 "[ . 1]" 1
934 1 34 LEU HA 1 35 PRO HD2 . . 3.890 1.998 1.942 2.065 . 0 0 "[ . 1]" 1
935 1 34 LEU HA 1 35 PRO HD3 . . 3.890 2.261 2.240 2.288 . 0 0 "[ . 1]" 1
936 1 34 LEU HA 1 36 GLY H . . 4.980 3.741 3.646 3.825 . 0 0 "[ . 1]" 1
937 1 34 LEU HB2 1 35 PRO HA . . 5.400 5.453 5.334 5.555 0.155 5 0 "[ . 1]" 1
938 1 34 LEU HB2 1 35 PRO HD2 . . 5.140 4.212 4.077 4.354 . 0 0 "[ . 1]" 1
939 1 34 LEU HB2 1 35 PRO HD3 . . 5.140 5.027 4.962 5.087 . 0 0 "[ . 1]" 1
940 1 34 LEU HB2 1 37 LEU QD . . 8.010 2.830 1.969 3.308 . 0 0 "[ . 1]" 1
941 1 34 LEU HB3 1 35 PRO HA . . 5.400 5.055 4.951 5.159 . 0 0 "[ . 1]" 1
942 1 34 LEU HB3 1 35 PRO HD2 . . 5.140 2.901 2.694 3.130 . 0 0 "[ . 1]" 1
943 1 34 LEU HB3 1 35 PRO HD3 . . 5.140 4.206 4.059 4.367 . 0 0 "[ . 1]" 1
944 1 34 LEU HB3 1 37 LEU QD . . 8.010 3.678 3.025 3.944 . 0 0 "[ . 1]" 1
945 1 34 LEU QB 1 35 PRO QD . . 4.850 2.793 2.615 2.985 . 0 0 "[ . 1]" 1
946 1 34 LEU QB 1 36 GLY H . . 5.150 2.876 2.750 2.987 . 0 0 "[ . 1]" 1
947 1 34 LEU QB 1 37 LEU QD . . 7.870 2.735 1.945 3.110 . 0 0 "[ . 1]" 1
948 1 34 LEU HG 1 35 PRO HD2 . . 5.450 3.744 3.121 4.567 . 0 0 "[ . 1]" 1
949 1 34 LEU HG 1 35 PRO HD3 . . 5.450 4.499 3.961 5.128 . 0 0 "[ . 1]" 1
950 1 34 LEU HG 1 35 PRO QD . . 5.310 3.559 3.011 4.269 . 0 0 "[ . 1]" 1
951 1 34 LEU HG 1 37 LEU QD . . 8.990 4.715 4.120 5.408 . 0 0 "[ . 1]" 1
952 1 34 LEU MD1 1 35 PRO HD2 . . 9.410 4.538 4.459 4.721 . 0 0 "[ . 1]" 1
953 1 34 LEU MD1 1 35 PRO HD3 . . 9.410 5.204 4.843 5.661 . 0 0 "[ . 1]" 1
954 1 34 LEU MD2 1 35 PRO HD2 . . 9.410 3.278 2.380 3.934 . 0 0 "[ . 1]" 1
955 1 34 LEU MD2 1 35 PRO HD3 . . 9.410 4.379 3.377 5.171 . 0 0 "[ . 1]" 1
956 1 34 LEU QD 1 35 PRO HD2 . . 7.800 3.162 2.372 3.696 . 0 0 "[ . 1]" 1
957 1 34 LEU QD 1 35 PRO HD3 . . 7.800 4.019 3.349 4.487 . 0 0 "[ . 1]" 1
958 1 34 LEU QD 1 35 PRO QD . . 7.690 3.048 2.325 3.527 . 0 0 "[ . 1]" 1
959 1 34 LEU QD 1 37 LEU H . . 7.690 5.327 4.039 5.651 . 0 0 "[ . 1]" 1
960 1 34 LEU QD 1 37 LEU HA . . 7.400 5.217 5.022 5.431 . 0 0 "[ . 1]" 1
961 1 34 LEU QD 1 37 LEU QB . . 7.720 3.564 3.079 4.447 . 0 0 "[ . 1]" 1
962 1 34 LEU QD 1 37 LEU MD1 . . 8.570 3.237 2.503 3.802 . 0 0 "[ . 1]" 1
963 1 34 LEU QD 1 37 LEU MD2 . . 8.570 3.286 2.707 3.977 . 0 0 "[ . 1]" 1
964 1 34 LEU QD 1 37 LEU QD . . 8.350 2.874 2.410 3.302 . 0 0 "[ . 1]" 1
965 1 35 PRO HA 1 36 GLY H . . 3.480 3.561 3.547 3.567 0.087 4 0 "[ . 1]" 1
966 1 35 PRO HA 1 37 LEU H . . 4.200 4.053 3.833 4.246 0.046 6 0 "[ . 1]" 1
967 1 35 PRO HA 1 38 ASP H . . 4.360 4.255 3.310 4.385 0.025 2 0 "[ . 1]" 1
968 1 35 PRO HB2 1 36 GLY H . . 4.100 3.512 3.481 3.576 . 0 0 "[ . 1]" 1
969 1 35 PRO HB3 1 36 GLY H . . 4.100 4.138 4.120 4.174 0.074 6 0 "[ . 1]" 1
970 1 35 PRO QG 1 36 GLY H . . 5.260 2.158 2.117 2.245 . 0 0 "[ . 1]" 1
971 1 36 GLY H 1 37 LEU H . . 3.890 3.539 2.802 3.764 . 0 0 "[ . 1]" 1
972 1 37 LEU H 1 37 LEU HB2 . . 3.680 3.134 2.686 3.326 . 0 0 "[ . 1]" 1
973 1 37 LEU H 1 37 LEU HB3 . . 3.680 3.065 2.922 3.552 . 0 0 "[ . 1]" 1
974 1 37 LEU H 1 37 LEU QB . . 3.420 2.735 2.611 2.818 . 0 0 "[ . 1]" 1
975 1 37 LEU H 1 38 ASP H . . 3.940 2.080 1.840 2.757 . 0 0 "[ . 1]" 1
976 1 37 LEU H 1 38 ASP QB . . 5.660 3.832 3.402 4.397 . 0 0 "[ . 1]" 1
977 1 37 LEU HA 1 38 ASP H . . 4.150 3.597 3.563 3.612 . 0 0 "[ . 1]" 1
978 1 37 LEU HA 1 40 MET ME . . 5.440 2.331 1.713 3.066 . 0 0 "[ . 1]" 1
979 1 37 LEU HA 1 41 CYS H . . 4.260 3.923 3.103 4.198 . 0 0 "[ . 1]" 1
980 1 37 LEU QB 1 38 ASP H . . 4.680 2.404 2.235 2.670 . 0 0 "[ . 1]" 1
981 1 37 LEU HG 1 38 ASP H . . 4.000 4.012 3.938 4.063 0.063 9 0 "[ . 1]" 1
982 1 37 LEU HG 1 41 CYS QB . . 6.550 3.831 3.078 5.844 . 0 0 "[ . 1]" 1
983 1 37 LEU MD1 1 40 MET ME . . 7.610 2.155 1.684 4.217 . 0 0 "[ . 1]" 1
984 1 37 LEU MD1 1 41 CYS HB2 . . 9.310 4.909 4.344 5.900 . 0 0 "[ . 1]" 1
985 1 37 LEU MD1 1 41 CYS HB3 . . 9.310 5.844 5.406 6.258 . 0 0 "[ . 1]" 1
986 1 37 LEU MD1 1 50 TRP HZ3 . . 6.690 3.654 3.144 5.380 . 0 0 "[ . 1]" 1
987 1 37 LEU MD2 1 40 MET ME . . 7.610 3.982 2.057 4.800 . 0 0 "[ . 1]" 1
988 1 37 LEU MD2 1 41 CYS HB2 . . 9.310 4.491 3.984 5.270 . 0 0 "[ . 1]" 1
989 1 37 LEU MD2 1 41 CYS HB3 . . 9.310 5.412 5.044 5.770 . 0 0 "[ . 1]" 1
990 1 37 LEU MD2 1 50 TRP HZ3 . . 6.690 5.025 3.354 5.451 . 0 0 "[ . 1]" 1
991 1 37 LEU QD 1 38 ASP H . . 8.010 3.863 3.671 3.999 . 0 0 "[ . 1]" 1
992 1 37 LEU QD 1 40 MET H . . 7.850 4.855 4.600 5.227 . 0 0 "[ . 1]" 1
993 1 37 LEU QD 1 40 MET QG . . 9.220 4.382 4.123 4.766 . 0 0 "[ . 1]" 1
994 1 37 LEU QD 1 40 MET ME . . 7.220 1.936 1.683 2.448 . 0 0 "[ . 1]" 1
995 1 37 LEU QD 1 41 CYS H . . 7.900 4.150 3.821 4.424 . 0 0 "[ . 1]" 1
996 1 37 LEU QD 1 41 CYS HB2 . . 9.250 4.150 3.686 4.921 . 0 0 "[ . 1]" 1
997 1 37 LEU QD 1 41 CYS HB3 . . 9.250 4.979 4.670 5.298 . 0 0 "[ . 1]" 1
998 1 37 LEU QD 1 41 CYS QB . . 7.650 3.943 3.555 4.425 . 0 0 "[ . 1]" 1
999 1 37 LEU QD 1 50 TRP HB2 . . 9.150 6.009 5.633 6.381 . 0 0 "[ . 1]" 1
1000 1 37 LEU QD 1 50 TRP HB3 . . 9.150 4.773 4.404 5.148 . 0 0 "[ . 1]" 1
1001 1 37 LEU QD 1 50 TRP QB . . 8.900 4.598 4.263 4.943 . 0 0 "[ . 1]" 1
1002 1 37 LEU QD 1 50 TRP HE3 . . 7.400 3.705 3.400 3.935 . 0 0 "[ . 1]" 1
1003 1 37 LEU QD 1 50 TRP HZ3 . . 6.390 3.404 3.117 3.774 . 0 0 "[ . 1]" 1
1004 1 37 LEU QD 1 50 TRP HZ2 . . 7.760 5.015 4.554 5.209 . 0 0 "[ . 1]" 1
1005 1 38 ASP HA 1 39 GLY H . . 4.200 3.610 3.573 3.617 . 0 0 "[ . 1]" 1
1006 1 38 ASP HA 1 41 CYS HB2 . . 4.620 3.516 2.987 3.975 . 0 0 "[ . 1]" 1
1007 1 38 ASP HA 1 41 CYS HB3 . . 4.620 2.995 2.569 4.617 . 0 0 "[ . 1]" 1
1008 1 38 ASP HA 1 41 CYS QB . . 4.430 2.750 2.508 3.131 . 0 0 "[ . 1]" 1
1009 1 38 ASP QB 1 39 GLY H . . 4.990 2.442 1.645 3.292 . 0 0 "[ . 1]" 1
1010 1 39 GLY H 1 40 MET H . . 3.940 3.157 3.056 3.290 . 0 0 "[ . 1]" 1
1011 1 39 GLY H 1 40 MET QB . . 5.820 4.782 4.670 4.942 . 0 0 "[ . 1]" 1
1012 1 39 GLY H 1 40 MET QG . . 6.080 5.087 4.690 5.277 . 0 0 "[ . 1]" 1
1013 1 39 GLY H 1 41 CYS H . . 4.830 4.549 4.361 4.667 . 0 0 "[ . 1]" 1
1014 1 39 GLY H 1 42 ARG QG . . 5.410 4.585 4.322 4.817 . 0 0 "[ . 1]" 1
1015 1 39 GLY HA2 1 40 MET H . . 4.260 3.611 3.602 3.615 . 0 0 "[ . 1]" 1
1016 1 39 GLY HA2 1 42 ARG HD2 . . 5.560 2.550 1.761 3.886 . 0 0 "[ . 1]" 1
1017 1 39 GLY HA2 1 42 ARG HD3 . . 5.560 3.052 1.749 3.655 . 0 0 "[ . 1]" 1
1018 1 39 GLY HA3 1 40 MET H . . 4.260 2.543 2.467 2.611 . 0 0 "[ . 1]" 1
1019 1 39 GLY HA3 1 42 ARG HD2 . . 5.560 4.233 3.475 5.582 0.022 10 0 "[ . 1]" 1
1020 1 39 GLY HA3 1 42 ARG HD3 . . 5.560 4.725 3.432 5.364 . 0 0 "[ . 1]" 1
1021 1 39 GLY QA 1 40 MET H . . 3.920 2.494 2.427 2.554 . 0 0 "[ . 1]" 1
1022 1 39 GLY QA 1 40 MET QB . . 6.870 4.408 4.328 4.520 . 0 0 "[ . 1]" 1
1023 1 39 GLY QA 1 40 MET QG . . 6.910 4.082 3.863 4.230 . 0 0 "[ . 1]" 1
1024 1 39 GLY QA 1 42 ARG H . . 5.350 3.411 3.346 3.543 . 0 0 "[ . 1]" 1
1025 1 39 GLY QA 1 42 ARG QB . . 7.340 4.524 3.991 4.819 . 0 0 "[ . 1]" 1
1026 1 39 GLY QA 1 42 ARG QG . . 6.760 3.137 2.683 3.546 . 0 0 "[ . 1]" 1
1027 1 39 GLY QA 1 42 ARG QD . . 5.150 2.313 1.692 3.239 . 0 0 "[ . 1]" 1
1028 1 39 GLY QA 1 43 ASN H . . 5.350 4.593 4.485 4.685 . 0 0 "[ . 1]" 1
1029 1 40 MET H 1 40 MET QG . . 4.830 2.296 2.054 2.473 . 0 0 "[ . 1]" 1
1030 1 40 MET H 1 41 CYS H . . 4.100 3.108 3.020 3.170 . 0 0 "[ . 1]" 1
1031 1 40 MET H 1 42 ARG H . . 4.670 4.248 4.082 4.631 . 0 0 "[ . 1]" 1
1032 1 40 MET H 1 43 ASN HB2 . . 4.780 3.609 3.338 4.830 0.050 10 0 "[ . 1]" 1
1033 1 40 MET H 1 43 ASN HB3 . . 4.780 4.679 3.312 4.862 0.082 5 0 "[ . 1]" 1
1034 1 40 MET H 1 43 ASN QB . . 4.560 3.384 3.258 3.486 . 0 0 "[ . 1]" 1
1035 1 40 MET HA 1 40 MET ME . . 5.700 4.227 4.148 4.344 . 0 0 "[ . 1]" 1
1036 1 40 MET HA 1 41 CYS H . . 4.260 3.611 3.604 3.613 . 0 0 "[ . 1]" 1
1037 1 40 MET HA 1 43 ASN H . . 4.000 3.262 3.018 3.548 . 0 0 "[ . 1]" 1
1038 1 40 MET HA 1 43 ASN HA . . 5.350 4.372 4.187 4.489 . 0 0 "[ . 1]" 1
1039 1 40 MET HA 1 43 ASN HB2 . . 4.520 2.074 1.801 3.467 . 0 0 "[ . 1]" 1
1040 1 40 MET HA 1 43 ASN HB3 . . 4.520 2.380 2.229 2.463 . 0 0 "[ . 1]" 1
1041 1 40 MET HA 1 43 ASN QB . . 4.350 1.879 1.759 2.204 . 0 0 "[ . 1]" 1
1042 1 40 MET HA 1 44 ARG HE . . 4.620 3.787 3.188 4.406 . 0 0 "[ . 1]" 1
1043 1 40 MET HA 1 50 TRP HD1 . . 5.350 3.172 2.708 3.720 . 0 0 "[ . 1]" 1
1044 1 40 MET HA 1 50 TRP HE1 . . 5.450 3.922 3.572 4.420 . 0 0 "[ . 1]" 1
1045 1 40 MET QB 1 41 CYS H . . 5.250 2.312 2.198 2.389 . 0 0 "[ . 1]" 1
1046 1 40 MET QB 1 43 ASN QB . . 8.060 3.760 3.644 4.118 . 0 0 "[ . 1]" 1
1047 1 40 MET QB 1 50 TRP HD1 . . 6.650 2.870 2.757 3.093 . 0 0 "[ . 1]" 1
1048 1 40 MET QB 1 50 TRP HE1 . . 6.450 3.048 2.838 3.204 . 0 0 "[ . 1]" 1
1049 1 40 MET QG 1 41 CYS H . . 5.660 4.141 4.009 4.231 . 0 0 "[ . 1]" 1
1050 1 40 MET QG 1 43 ASN QB . . 7.690 3.269 3.128 3.410 . 0 0 "[ . 1]" 1
1051 1 40 MET QG 1 48 ASN QD . . 6.900 5.071 3.720 5.493 . 0 0 "[ . 1]" 1
1052 1 40 MET QG 1 50 TRP HD1 . . 6.960 3.601 2.868 4.209 . 0 0 "[ . 1]" 1
1053 1 40 MET ME 1 50 TRP HD1 . . 5.860 4.681 4.250 4.805 . 0 0 "[ . 1]" 1
1054 1 40 MET ME 1 50 TRP HE1 . . 6.320 3.754 2.946 4.021 . 0 0 "[ . 1]" 1
1055 1 40 MET ME 1 50 TRP HZ2 . . 5.490 2.788 2.257 3.411 . 0 0 "[ . 1]" 1
1056 1 40 MET ME 1 50 TRP HH2 . . 6.120 2.882 2.347 3.550 . 0 0 "[ . 1]" 1
1057 1 41 CYS H 1 41 CYS HB2 . . 3.890 2.502 2.257 2.686 . 0 0 "[ . 1]" 1
1058 1 41 CYS H 1 41 CYS HB3 . . 3.890 2.615 2.350 3.574 . 0 0 "[ . 1]" 1
1059 1 41 CYS H 1 41 CYS QB . . 3.700 2.251 2.158 2.613 . 0 0 "[ . 1]" 1
1060 1 41 CYS H 1 42 ARG H . . 4.150 2.931 2.843 3.071 . 0 0 "[ . 1]" 1
1061 1 41 CYS H 1 43 ASN H . . 4.360 4.405 4.271 4.461 0.101 10 0 "[ . 1]" 1
1062 1 41 CYS HA 1 50 TRP H . . 4.720 4.780 4.665 4.865 0.145 6 0 "[ . 1]" 1
1063 1 41 CYS HA 1 50 TRP HB2 . . 4.830 2.843 2.468 3.098 . 0 0 "[ . 1]" 1
1064 1 41 CYS HA 1 50 TRP HB3 . . 4.830 1.765 1.679 1.840 . 0 0 "[ . 1]" 1
1065 1 41 CYS HA 1 50 TRP QB . . 4.470 1.746 1.672 1.813 . 0 0 "[ . 1]" 1
1066 1 41 CYS HA 1 50 TRP HD1 . . 5.190 4.608 4.039 4.863 . 0 0 "[ . 1]" 1
1067 1 41 CYS HA 1 50 TRP HE3 . . 5.560 4.682 4.297 4.975 . 0 0 "[ . 1]" 1
1068 1 41 CYS HA 1 51 PHE H . . 4.410 4.328 4.074 4.464 0.054 10 0 "[ . 1]" 1
1069 1 41 CYS HB2 1 42 ARG H . . 4.260 3.820 2.359 4.131 . 0 0 "[ . 1]" 1
1070 1 41 CYS HB3 1 42 ARG H . . 4.260 2.785 2.282 3.580 . 0 0 "[ . 1]" 1
1071 1 41 CYS QB 1 42 ARG H . . 4.030 2.622 2.264 2.849 . 0 0 "[ . 1]" 1
1072 1 42 ARG H 1 42 ARG HG2 . . 4.100 3.283 2.892 3.590 . 0 0 "[ . 1]" 1
1073 1 42 ARG H 1 42 ARG HG3 . . 4.100 1.732 1.460 1.945 . 0 0 "[ . 1]" 1
1074 1 42 ARG H 1 42 ARG QG . . 3.760 1.725 1.457 1.937 . 0 0 "[ . 1]" 1
1075 1 42 ARG H 1 42 ARG QD . . 5.250 3.007 2.351 3.733 . 0 0 "[ . 1]" 1
1076 1 42 ARG H 1 43 ASN H . . 3.940 2.760 2.542 3.053 . 0 0 "[ . 1]" 1
1077 1 42 ARG H 1 43 ASN HA . . 4.670 4.438 4.236 4.754 0.084 9 0 "[ . 1]" 1
1078 1 42 ARG H 1 46 PHE QE . . 7.240 5.145 4.896 5.355 . 0 0 "[ . 1]" 1
1079 1 42 ARG HA 1 46 PHE QD . . 6.770 2.026 1.788 2.896 . 0 0 "[ . 1]" 1
1080 1 42 ARG HA 1 46 PHE QE . . 6.820 3.355 2.936 3.754 . 0 0 "[ . 1]" 1
1081 1 42 ARG HA 1 51 PHE HD1 . . 4.830 4.795 4.278 4.979 0.149 9 0 "[ . 1]" 1
1082 1 42 ARG QB 1 43 ASN H . . 4.940 4.051 3.997 4.072 . 0 0 "[ . 1]" 1
1083 1 42 ARG QB 1 46 PHE QB . . 6.600 4.137 3.822 4.790 . 0 0 "[ . 1]" 1
1084 1 42 ARG QB 1 46 PHE QD . . 9.790 2.682 1.904 3.499 . 0 0 "[ . 1]" 1
1085 1 42 ARG QB 1 46 PHE QE . . 8.390 1.909 1.680 2.253 . 0 0 "[ . 1]" 1
1086 1 42 ARG HG2 1 46 PHE QD . . 8.430 5.013 4.294 5.426 . 0 0 "[ . 1]" 1
1087 1 42 ARG HG2 1 46 PHE QE . . 7.500 4.228 3.317 4.763 . 0 0 "[ . 1]" 1
1088 1 42 ARG HG2 1 51 PHE QE . . 8.690 6.055 5.183 6.503 . 0 0 "[ . 1]" 1
1089 1 42 ARG HG3 1 46 PHE QD . . 8.430 4.738 4.145 5.033 . 0 0 "[ . 1]" 1
1090 1 42 ARG HG3 1 46 PHE QE . . 7.500 4.552 4.164 4.854 . 0 0 "[ . 1]" 1
1091 1 42 ARG HG3 1 51 PHE QE . . 8.690 6.496 5.897 6.861 . 0 0 "[ . 1]" 1
1092 1 42 ARG QG 1 46 PHE QD . . 8.330 4.326 3.755 4.636 . 0 0 "[ . 1]" 1
1093 1 42 ARG QG 1 46 PHE QE . . 7.360 3.869 3.194 4.138 . 0 0 "[ . 1]" 1
1094 1 42 ARG QG 1 51 PHE QE . . 8.460 5.537 5.005 5.805 . 0 0 "[ . 1]" 1
1095 1 42 ARG HD2 1 46 PHE QE . . 8.020 4.947 4.099 5.854 . 0 0 "[ . 1]" 1
1096 1 42 ARG HD3 1 46 PHE QE . . 8.020 3.831 2.880 5.466 . 0 0 "[ . 1]" 1
1097 1 42 ARG QD 1 46 PHE QE . . 7.910 3.682 2.849 5.022 . 0 0 "[ . 1]" 1
1098 1 43 ASN H 1 43 ASN HB2 . . 3.580 2.772 2.513 3.658 0.078 10 0 "[ . 1]" 1
1099 1 43 ASN H 1 43 ASN HB3 . . 3.580 2.568 2.329 2.734 . 0 0 "[ . 1]" 1
1100 1 43 ASN H 1 43 ASN QB . . 3.370 2.340 2.221 2.639 . 0 0 "[ . 1]" 1
1101 1 43 ASN H 1 43 ASN QD . . 5.290 4.071 1.339 4.691 . 0 0 "[ . 1]" 1
1102 1 43 ASN H 1 44 ARG H . . 4.310 3.737 2.135 4.503 0.193 9 0 "[ . 1]" 1
1103 1 43 ASN H 1 45 CYS H . . 5.040 5.071 5.027 5.100 0.060 6 0 "[ . 1]" 1
1104 1 43 ASN HA 1 44 ARG H . . 3.480 3.071 2.596 3.534 0.054 2 0 "[ . 1]" 1
1105 1 43 ASN HA 1 44 ARG HA . . 5.240 4.576 4.512 4.653 . 0 0 "[ . 1]" 1
1106 1 43 ASN HA 1 44 ARG QB . . 6.390 5.276 5.047 5.591 . 0 0 "[ . 1]" 1
1107 1 43 ASN HB2 1 44 ARG H . . 4.410 3.619 3.292 4.046 . 0 0 "[ . 1]" 1
1108 1 43 ASN HB2 1 44 ARG QB . . 6.760 5.522 4.691 5.726 . 0 0 "[ . 1]" 1
1109 1 43 ASN HB3 1 44 ARG H . . 4.410 2.622 1.663 4.011 . 0 0 "[ . 1]" 1
1110 1 43 ASN HB3 1 44 ARG QB . . 6.760 4.391 4.083 5.535 . 0 0 "[ . 1]" 1
1111 1 43 ASN QB 1 44 ARG QB . . 6.480 4.171 3.984 4.451 . 0 0 "[ . 1]" 1
1112 1 43 ASN HD21 1 44 ARG H . . 4.980 2.034 0.990 3.617 . 0 0 "[ . 1]" 1
1113 1 43 ASN HD21 1 44 ARG QB . . 5.870 3.422 2.360 4.392 . 0 0 "[ . 1]" 1
1114 1 43 ASN HD22 1 44 ARG H . . 4.980 2.844 2.129 3.663 . 0 0 "[ . 1]" 1
1115 1 43 ASN HD22 1 44 ARG QB . . 5.870 3.765 3.018 4.500 . 0 0 "[ . 1]" 1
1116 1 43 ASN QD 1 44 ARG QB . . 5.720 3.123 2.288 3.871 . 0 0 "[ . 1]" 1
1117 1 43 ASN QD 1 44 ARG QD . . 7.060 1.833 1.248 2.695 . 0 0 "[ . 1]" 1
1118 1 44 ARG H 1 44 ARG HG2 . . 4.520 2.283 1.554 3.011 . 0 0 "[ . 1]" 1
1119 1 44 ARG H 1 44 ARG HG3 . . 4.520 3.692 3.050 4.263 . 0 0 "[ . 1]" 1
1120 1 44 ARG H 1 44 ARG QG . . 4.270 2.256 1.549 2.953 . 0 0 "[ . 1]" 1
1121 1 44 ARG H 1 45 CYS H . . 3.940 3.543 3.158 3.967 0.027 7 0 "[ . 1]" 1
1122 1 44 ARG HA 1 44 ARG HG2 . . 4.050 3.501 3.457 3.534 . 0 0 "[ . 1]" 1
1123 1 44 ARG HA 1 44 ARG HG3 . . 4.050 4.191 4.114 4.226 0.176 7 0 "[ . 1]" 1
1124 1 44 ARG HA 1 44 ARG QG . . 3.860 3.334 3.292 3.365 . 0 0 "[ . 1]" 1
1125 1 44 ARG HA 1 45 CYS H . . 3.680 2.571 2.399 2.769 . 0 0 "[ . 1]" 1
1126 1 44 ARG HA 1 47 TYR QB . . 6.340 4.756 4.546 4.936 . 0 0 "[ . 1]" 1
1127 1 44 ARG QB 1 47 TYR H . . 5.930 3.489 2.882 3.751 . 0 0 "[ . 1]" 1
1128 1 44 ARG QB 1 47 TYR HB2 . . 6.860 4.303 3.831 4.576 . 0 0 "[ . 1]" 1
1129 1 44 ARG QB 1 47 TYR HB3 . . 6.860 2.933 2.490 3.349 . 0 0 "[ . 1]" 1
1130 1 44 ARG QB 1 47 TYR QB . . 6.390 2.885 2.460 3.262 . 0 0 "[ . 1]" 1
1131 1 44 ARG QB 1 47 TYR QE . . 9.690 6.079 5.824 6.617 . 0 0 "[ . 1]" 1
1132 1 44 ARG QB 1 48 ASN HA . . 6.450 5.278 4.974 5.525 . 0 0 "[ . 1]" 1
1133 1 44 ARG HG2 1 47 TYR H . . 4.310 3.046 2.635 3.473 . 0 0 "[ . 1]" 1
1134 1 44 ARG HG2 1 47 TYR HB2 . . 5.190 5.292 5.211 5.490 0.300 10 0 "[ . 1]" 1
1135 1 44 ARG HG2 1 47 TYR HB3 . . 5.190 4.282 4.099 4.636 . 0 0 "[ . 1]" 1
1136 1 44 ARG HG2 1 48 ASN HA . . 5.710 5.039 4.588 5.281 . 0 0 "[ . 1]" 1
1137 1 44 ARG HG2 1 50 TRP HE1 . . 5.450 5.587 5.468 5.735 0.285 8 0 "[ . 1]" 1
1138 1 44 ARG HG3 1 47 TYR H . . 4.310 3.571 3.109 4.204 . 0 0 "[ . 1]" 1
1139 1 44 ARG HG3 1 47 TYR HB2 . . 5.190 5.073 4.595 5.341 0.151 8 0 "[ . 1]" 1
1140 1 44 ARG HG3 1 47 TYR HB3 . . 5.190 3.644 3.420 3.833 . 0 0 "[ . 1]" 1
1141 1 44 ARG HG3 1 48 ASN HA . . 5.710 3.849 3.678 3.969 . 0 0 "[ . 1]" 1
1142 1 44 ARG HG3 1 50 TRP HE1 . . 5.450 5.557 5.466 5.779 0.329 10 0 "[ . 1]" 1
1143 1 44 ARG QG 1 47 TYR QB . . 4.850 3.348 3.223 3.445 . 0 0 "[ . 1]" 1
1144 1 44 ARG QG 1 48 ASN H . . 5.560 4.146 4.008 4.311 . 0 0 "[ . 1]" 1
1145 1 44 ARG QG 1 48 ASN HA . . 5.270 3.733 3.536 3.852 . 0 0 "[ . 1]" 1
1146 1 44 ARG QD 1 47 TYR QD . . 9.160 5.905 5.664 6.213 . 0 0 "[ . 1]" 1
1147 1 44 ARG QD 1 47 TYR QE . . 9.740 7.664 7.509 7.822 . 0 0 "[ . 1]" 1
1148 1 44 ARG QD 1 48 ASN HA . . 6.500 5.199 4.364 5.521 . 0 0 "[ . 1]" 1
1149 1 44 ARG HE 1 48 ASN HA . . 4.670 4.401 3.937 4.703 0.033 4 0 "[ . 1]" 1
1150 1 45 CYS H 1 46 PHE H . . 4.050 2.911 2.802 3.046 . 0 0 "[ . 1]" 1
1151 1 45 CYS H 1 47 TYR H . . 4.830 4.074 3.788 4.529 . 0 0 "[ . 1]" 1
1152 1 45 CYS HA 1 46 PHE H . . 3.940 2.728 2.602 3.036 . 0 0 "[ . 1]" 1
1153 1 45 CYS HA 1 46 PHE QD . . 7.600 3.223 2.367 3.564 . 0 0 "[ . 1]" 1
1154 1 45 CYS HA 1 46 PHE QE . . 7.970 3.849 3.457 4.181 . 0 0 "[ . 1]" 1
1155 1 45 CYS QB 1 47 TYR H . . 5.610 3.499 3.103 4.179 . 0 0 "[ . 1]" 1
1156 1 46 PHE H 1 46 PHE QE . . 6.980 3.797 3.453 4.383 . 0 0 "[ . 1]" 1
1157 1 46 PHE H 1 47 TYR H . . 4.050 2.809 2.518 2.958 . 0 0 "[ . 1]" 1
1158 1 46 PHE HA 1 47 TYR H . . 4.150 2.998 2.769 3.128 . 0 0 "[ . 1]" 1
1159 1 46 PHE HA 1 71 ILE MG . . 6.380 4.254 3.773 4.805 . 0 0 "[ . 1]" 1
1160 1 46 PHE HA 1 71 ILE QG . . 6.240 4.398 3.829 4.829 . 0 0 "[ . 1]" 1
1161 1 46 PHE HB2 1 71 ILE MG . . 5.860 2.436 1.850 3.201 . 0 0 "[ . 1]" 1
1162 1 46 PHE HB2 1 71 ILE HG12 . . 5.760 3.228 1.813 4.419 . 0 0 "[ . 1]" 1
1163 1 46 PHE HB2 1 71 ILE HG13 . . 5.760 2.777 2.115 3.403 . 0 0 "[ . 1]" 1
1164 1 46 PHE HB2 1 71 ILE MD . . 6.170 2.393 1.749 3.459 . 0 0 "[ . 1]" 1
1165 1 46 PHE HB3 1 71 ILE MG . . 5.860 3.678 2.814 4.445 . 0 0 "[ . 1]" 1
1166 1 46 PHE HB3 1 71 ILE HG12 . . 5.760 3.844 2.421 4.873 . 0 0 "[ . 1]" 1
1167 1 46 PHE HB3 1 71 ILE HG13 . . 5.760 3.351 2.987 3.771 . 0 0 "[ . 1]" 1
1168 1 46 PHE HB3 1 71 ILE MD . . 6.170 2.640 1.964 3.264 . 0 0 "[ . 1]" 1
1169 1 46 PHE QB 1 71 ILE QG . . 5.300 2.302 1.711 2.987 . 0 0 "[ . 1]" 1
1170 1 46 PHE QB 1 71 ILE MD . . 5.860 2.184 1.663 2.906 . 0 0 "[ . 1]" 1
1171 1 46 PHE QD 1 51 PHE QE . . 10.630 4.122 2.962 4.857 . 0 0 "[ . 1]" 1
1172 1 46 PHE QD 1 71 ILE MD . . 9.410 2.945 1.769 4.441 . 0 0 "[ . 1]" 1
1173 1 46 PHE QD 1 74 LEU MD1 . . 9.770 2.762 2.223 3.588 . 0 0 "[ . 1]" 1
1174 1 46 PHE QD 1 74 LEU MD2 . . 9.770 4.395 4.025 4.800 . 0 0 "[ . 1]" 1
1175 1 46 PHE QD 1 74 LEU QD . . 9.220 2.720 2.212 3.369 . 0 0 "[ . 1]" 1
1176 1 46 PHE QE 1 71 ILE MD . . 9.570 4.717 3.620 6.084 . 0 0 "[ . 1]" 1
1177 1 46 PHE QE 1 74 LEU QD . . 10.170 3.092 2.606 3.636 . 0 0 "[ . 1]" 1
1178 1 47 TYR H 1 47 TYR HB2 . . 3.680 2.730 2.484 3.025 . 0 0 "[ . 1]" 1
1179 1 47 TYR H 1 47 TYR HB3 . . 3.680 2.728 2.620 2.876 . 0 0 "[ . 1]" 1
1180 1 47 TYR H 1 47 TYR QB . . 3.480 2.421 2.315 2.595 . 0 0 "[ . 1]" 1
1181 1 47 TYR H 1 48 ASN H . . 4.260 3.839 3.631 4.004 . 0 0 "[ . 1]" 1
1182 1 47 TYR H 1 48 ASN QB . . 5.400 3.937 3.428 4.615 . 0 0 "[ . 1]" 1
1183 1 47 TYR H 1 71 ILE MG . . 6.010 3.647 3.254 3.963 . 0 0 "[ . 1]" 1
1184 1 47 TYR H 1 71 ILE MD . . 6.640 5.290 4.890 5.602 . 0 0 "[ . 1]" 1
1185 1 47 TYR HA 1 71 ILE MG . . 6.220 2.408 2.088 2.624 . 0 0 "[ . 1]" 1
1186 1 47 TYR HA 1 71 ILE MD . . 6.900 4.654 4.171 5.036 . 0 0 "[ . 1]" 1
1187 1 47 TYR HB2 1 71 ILE MG . . 6.840 2.614 2.290 3.265 . 0 0 "[ . 1]" 1
1188 1 47 TYR HB3 1 71 ILE MG . . 6.840 3.939 3.625 4.456 . 0 0 "[ . 1]" 1
1189 1 47 TYR QB 1 48 ASN H . . 5.250 4.045 4.025 4.060 . 0 0 "[ . 1]" 1
1190 1 47 TYR QB 1 71 ILE MG . . 6.570 2.577 2.266 3.187 . 0 0 "[ . 1]" 1
1191 1 47 TYR QB 1 71 ILE MD . . 8.610 5.026 4.475 5.323 . 0 0 "[ . 1]" 1
1192 1 47 TYR QD 1 48 ASN H . . 6.770 4.212 3.640 4.561 . 0 0 "[ . 1]" 1
1193 1 47 TYR QD 1 68 ARG HG2 . . 8.430 6.516 5.176 7.650 . 0 0 "[ . 1]" 1
1194 1 47 TYR QD 1 68 ARG HG3 . . 8.430 6.003 4.872 6.817 . 0 0 "[ . 1]" 1
1195 1 47 TYR QD 1 68 ARG QD . . 9.530 6.989 6.147 7.668 . 0 0 "[ . 1]" 1
1196 1 47 TYR QD 1 71 ILE MG . . 8.780 2.032 1.721 2.504 . 0 0 "[ . 1]" 1
1197 1 47 TYR QD 1 74 LEU QD . . 10.070 5.503 5.080 6.039 . 0 0 "[ . 1]" 1
1198 1 47 TYR QE 1 49 GLU QG . . 9.790 7.811 7.451 8.025 . 0 0 "[ . 1]" 1
1199 1 47 TYR QE 1 68 ARG QB . . 9.110 6.451 6.058 7.070 . 0 0 "[ . 1]" 1
1200 1 47 TYR QE 1 68 ARG QD . . 9.580 6.626 6.087 7.061 . 0 0 "[ . 1]" 1
1201 1 47 TYR QE 1 68 ARG HE . . 6.980 5.710 4.907 6.500 . 0 0 "[ . 1]" 1
1202 1 47 TYR QE 1 71 ILE MG . . 8.780 3.640 3.152 4.173 . 0 0 "[ . 1]" 1
1203 1 47 TYR QE 1 71 ILE MD . . 10.290 6.221 5.562 6.835 . 0 0 "[ . 1]" 1
1204 1 47 TYR QE 1 74 LEU QD . . 11.520 6.812 6.319 7.233 . 0 0 "[ . 1]" 1
1205 1 47 TYR QE 1 75 ASN HB2 . . 7.960 5.845 4.533 6.865 . 0 0 "[ . 1]" 1
1206 1 47 TYR QE 1 75 ASN HB3 . . 7.960 6.363 5.424 7.036 . 0 0 "[ . 1]" 1
1207 1 48 ASN H 1 48 ASN QD . . 5.440 4.394 1.879 4.783 . 0 0 "[ . 1]" 1
1208 1 48 ASN H 1 49 GLU H . . 4.720 1.753 1.658 1.904 . 0 0 "[ . 1]" 1
1209 1 48 ASN H 1 51 PHE QB . . 5.300 4.302 4.077 4.587 . 0 0 "[ . 1]" 1
1210 1 48 ASN H 1 53 ILE MD . . 6.380 5.634 5.600 5.666 . 0 0 "[ . 1]" 1
1211 1 48 ASN HA 1 49 GLU H . . 4.410 2.995 2.941 3.046 . 0 0 "[ . 1]" 1
1212 1 48 ASN HA 1 49 GLU HA . . 5.190 4.937 4.900 4.972 . 0 0 "[ . 1]" 1
1213 1 48 ASN HA 1 49 GLU QG . . 6.810 4.043 3.681 4.309 . 0 0 "[ . 1]" 1
1214 1 48 ASN HA 1 50 TRP H . . 4.520 3.783 3.756 3.819 . 0 0 "[ . 1]" 1
1215 1 48 ASN HA 1 53 ILE MD . . 7.360 5.868 5.775 5.994 . 0 0 "[ . 1]" 1
1216 1 48 ASN HB2 1 50 TRP HD1 . . 5.660 2.710 1.947 3.077 . 0 0 "[ . 1]" 1
1217 1 48 ASN HB3 1 50 TRP HD1 . . 5.660 2.336 1.843 3.199 . 0 0 "[ . 1]" 1
1218 1 48 ASN QB 1 50 TRP H . . 5.560 2.615 2.481 2.896 . 0 0 "[ . 1]" 1
1219 1 48 ASN QB 1 50 TRP HD1 . . 5.470 1.998 1.823 2.173 . 0 0 "[ . 1]" 1
1220 1 48 ASN QB 1 51 PHE QB . . 7.330 5.733 5.549 5.984 . 0 0 "[ . 1]" 1
1221 1 49 GLU H 1 50 TRP H . . 4.410 2.992 2.892 3.091 . 0 0 "[ . 1]" 1
1222 1 49 GLU H 1 50 TRP QB . . 5.660 4.600 4.535 4.688 . 0 0 "[ . 1]" 1
1223 1 49 GLU HA 1 50 TRP H . . 4.310 3.443 3.333 3.494 . 0 0 "[ . 1]" 1
1224 1 49 GLU HA 1 52 LEU QD . . 7.090 4.522 4.316 4.740 . 0 0 "[ . 1]" 1
1225 1 49 GLU HB2 1 53 ILE MD . . 7.000 3.316 3.154 3.586 . 0 0 "[ . 1]" 1
1226 1 49 GLU HB3 1 53 ILE MD . . 7.000 4.126 4.026 4.283 . 0 0 "[ . 1]" 1
1227 1 49 GLU QB 1 53 ILE MD . . 6.700 3.185 3.048 3.400 . 0 0 "[ . 1]" 1
1228 1 49 GLU QG 1 50 TRP H . . 5.610 2.471 2.283 2.826 . 0 0 "[ . 1]" 1
1229 1 49 GLU QG 1 50 TRP HA . . 6.760 2.830 2.755 3.015 . 0 0 "[ . 1]" 1
1230 1 49 GLU QG 1 50 TRP HD1 . . 6.180 5.021 4.620 5.186 . 0 0 "[ . 1]" 1
1231 1 49 GLU QG 1 53 ILE MG . . 8.300 5.232 5.120 5.417 . 0 0 "[ . 1]" 1
1232 1 49 GLU QG 1 53 ILE QG . . 6.920 3.638 3.557 3.797 . 0 0 "[ . 1]" 1
1233 1 49 GLU QG 1 53 ILE MD . . 7.520 1.891 1.788 2.052 . 0 0 "[ . 1]" 1
1234 1 50 TRP H 1 50 TRP HB2 . . 4.000 2.273 2.173 2.359 . 0 0 "[ . 1]" 1
1235 1 50 TRP H 1 50 TRP HB3 . . 4.000 3.534 3.493 3.560 . 0 0 "[ . 1]" 1
1236 1 50 TRP H 1 50 TRP HD1 . . 4.200 3.618 3.375 3.774 . 0 0 "[ . 1]" 1
1237 1 50 TRP H 1 50 TRP HE3 . . 5.040 4.463 4.339 4.633 . 0 0 "[ . 1]" 1
1238 1 50 TRP H 1 51 PHE QB . . 5.560 4.411 4.342 4.454 . 0 0 "[ . 1]" 1
1239 1 50 TRP H 1 52 LEU H . . 4.780 4.370 4.246 4.676 . 0 0 "[ . 1]" 1
1240 1 50 TRP H 1 53 ILE MD . . 6.740 3.175 3.075 3.334 . 0 0 "[ . 1]" 1
1241 1 50 TRP HA 1 50 TRP HE3 . . 4.360 1.974 1.828 2.164 . 0 0 "[ . 1]" 1
1242 1 50 TRP HA 1 51 PHE H . . 4.570 3.414 3.360 3.456 . 0 0 "[ . 1]" 1
1243 1 50 TRP HA 1 53 ILE H . . 4.150 3.195 3.063 3.352 . 0 0 "[ . 1]" 1
1244 1 50 TRP HA 1 53 ILE HA . . 5.450 5.217 5.090 5.302 . 0 0 "[ . 1]" 1
1245 1 50 TRP HA 1 53 ILE HB . . 4.050 2.830 2.669 2.932 . 0 0 "[ . 1]" 1
1246 1 50 TRP HA 1 53 ILE MG . . 6.010 4.112 4.023 4.193 . 0 0 "[ . 1]" 1
1247 1 50 TRP HA 1 53 ILE HG12 . . 5.040 3.309 3.129 3.517 . 0 0 "[ . 1]" 1
1248 1 50 TRP HA 1 53 ILE HG13 . . 5.040 4.135 4.074 4.213 . 0 0 "[ . 1]" 1
1249 1 50 TRP HA 1 53 ILE MD . . 5.750 1.610 1.596 1.619 . 0 0 "[ . 1]" 1
1250 1 50 TRP HA 1 54 CYS H . . 4.460 4.356 4.178 4.506 0.046 9 0 "[ . 1]" 1
1251 1 50 TRP HB2 1 50 TRP HE1 . . 5.450 4.723 4.715 4.732 . 0 0 "[ . 1]" 1
1252 1 50 TRP HB2 1 53 ILE HB . . 5.450 5.449 5.323 5.528 0.078 5 0 "[ . 1]" 1
1253 1 50 TRP HB3 1 50 TRP HE1 . . 5.450 5.082 5.054 5.118 . 0 0 "[ . 1]" 1
1254 1 50 TRP HB3 1 53 ILE HB . . 5.450 4.294 4.149 4.429 . 0 0 "[ . 1]" 1
1255 1 50 TRP QB 1 51 PHE H . . 5.090 3.170 3.062 3.293 . 0 0 "[ . 1]" 1
1256 1 50 TRP QB 1 53 ILE HB . . 5.310 4.143 4.011 4.259 . 0 0 "[ . 1]" 1
1257 1 50 TRP HE3 1 53 ILE HB . . 4.780 2.416 2.361 2.525 . 0 0 "[ . 1]" 1
1258 1 50 TRP HE3 1 53 ILE MG . . 5.750 2.942 2.856 3.087 . 0 0 "[ . 1]" 1
1259 1 50 TRP HE3 1 53 ILE HG12 . . 5.760 2.402 2.174 2.607 . 0 0 "[ . 1]" 1
1260 1 50 TRP HE3 1 53 ILE HG13 . . 5.760 3.876 3.734 4.056 . 0 0 "[ . 1]" 1
1261 1 50 TRP HE3 1 53 ILE QG . . 5.630 2.380 2.160 2.574 . 0 0 "[ . 1]" 1
1262 1 50 TRP HE3 1 53 ILE MD . . 6.900 2.299 2.043 2.587 . 0 0 "[ . 1]" 1
1263 1 50 TRP HE3 1 54 CYS H . . 4.830 4.710 4.547 4.791 . 0 0 "[ . 1]" 1
1264 1 50 TRP HZ3 1 53 ILE MG . . 5.910 2.502 2.372 2.723 . 0 0 "[ . 1]" 1
1265 1 50 TRP HZ3 1 53 ILE QG . . 6.550 2.369 2.157 2.676 . 0 0 "[ . 1]" 1
1266 1 50 TRP HZ3 1 53 ILE MD . . 7.830 3.596 3.301 3.889 . 0 0 "[ . 1]" 1
1267 1 50 TRP HZ2 1 53 ILE MG . . 7.470 6.192 6.142 6.273 . 0 0 "[ . 1]" 1
1268 1 50 TRP HZ2 1 53 ILE QG . . 6.710 5.806 5.752 5.852 . 0 0 "[ . 1]" 1
1269 1 50 TRP HZ2 1 53 ILE MD . . 7.160 5.621 5.442 5.778 . 0 0 "[ . 1]" 1
1270 1 50 TRP HH2 1 53 ILE MG . . 7.210 4.624 4.547 4.773 . 0 0 "[ . 1]" 1
1271 1 50 TRP HH2 1 53 ILE QG . . 6.600 4.452 4.334 4.590 . 0 0 "[ . 1]" 1
1272 1 50 TRP HH2 1 53 ILE MD . . 7.730 5.098 4.862 5.266 . 0 0 "[ . 1]" 1
1273 1 51 PHE H 1 51 PHE HB2 . . 3.840 2.241 2.177 2.284 . 0 0 "[ . 1]" 1
1274 1 51 PHE H 1 51 PHE HB3 . . 3.840 2.818 2.754 2.930 . 0 0 "[ . 1]" 1
1275 1 51 PHE H 1 52 LEU H . . 4.050 2.393 2.339 2.462 . 0 0 "[ . 1]" 1
1276 1 51 PHE H 1 52 LEU HB2 . . 4.620 4.670 4.627 4.740 0.120 10 0 "[ . 1]" 1
1277 1 51 PHE H 1 52 LEU HB3 . . 4.620 4.674 4.595 4.735 0.115 10 0 "[ . 1]" 1
1278 1 51 PHE H 1 52 LEU QB . . 4.430 4.162 4.120 4.220 . 0 0 "[ . 1]" 1
1279 1 51 PHE H 1 52 LEU QD . . 7.850 5.330 5.304 5.376 . 0 0 "[ . 1]" 1
1280 1 51 PHE H 1 53 ILE H . . 4.620 3.957 3.797 4.065 . 0 0 "[ . 1]" 1
1281 1 51 PHE H 1 53 ILE MD . . 6.580 3.311 3.117 3.470 . 0 0 "[ . 1]" 1
1282 1 51 PHE HA 1 52 LEU H . . 4.150 3.515 3.479 3.587 . 0 0 "[ . 1]" 1
1283 1 51 PHE HA 1 54 CYS H . . 4.200 3.715 3.562 3.900 . 0 0 "[ . 1]" 1
1284 1 51 PHE HA 1 54 CYS HB2 . . 4.980 3.260 3.126 3.431 . 0 0 "[ . 1]" 1
1285 1 51 PHE HA 1 54 CYS HB3 . . 4.980 4.922 4.798 5.059 0.079 5 0 "[ . 1]" 1
1286 1 51 PHE HA 1 54 CYS QB . . 4.750 3.216 3.088 3.378 . 0 0 "[ . 1]" 1
1287 1 51 PHE HA 1 55 LEU QD . . 9.170 3.414 3.085 3.898 . 0 0 "[ . 1]" 1
1288 1 51 PHE HB2 1 52 LEU H . . 4.150 3.741 3.421 3.893 . 0 0 "[ . 1]" 1
1289 1 51 PHE HB2 1 64 ILE MD . . 7.620 5.698 4.725 6.262 . 0 0 "[ . 1]" 1
1290 1 51 PHE HB3 1 52 LEU H . . 4.150 2.999 2.676 3.125 . 0 0 "[ . 1]" 1
1291 1 51 PHE HB3 1 64 ILE MD . . 7.620 4.256 3.270 4.878 . 0 0 "[ . 1]" 1
1292 1 51 PHE QB 1 64 ILE MD . . 7.360 4.142 3.213 4.717 . 0 0 "[ . 1]" 1
1293 1 51 PHE QB 1 71 ILE MD . . 8.670 3.515 2.705 4.236 . 0 0 "[ . 1]" 1
1294 1 51 PHE QD 1 52 LEU H . . 6.720 4.607 4.440 4.693 . 0 0 "[ . 1]" 1
1295 1 51 PHE QD 1 52 LEU HG . . 7.700 6.873 6.389 7.203 . 0 0 "[ . 1]" 1
1296 1 51 PHE QD 1 52 LEU QD . . 9.810 5.392 4.934 5.737 . 0 0 "[ . 1]" 1
1297 1 51 PHE QD 1 55 LEU MD1 . . 10.340 2.568 1.710 3.139 . 0 0 "[ . 1]" 1
1298 1 51 PHE QD 1 55 LEU MD2 . . 10.340 4.301 3.493 5.033 . 0 0 "[ . 1]" 1
1299 1 51 PHE QD 1 55 LEU QD . . 9.930 2.543 1.708 3.110 . 0 0 "[ . 1]" 1
1300 1 51 PHE QD 1 64 ILE MD . . 9.200 3.881 2.809 4.860 . 0 0 "[ . 1]" 1
1301 1 51 PHE QD 1 68 ARG HA . . 7.650 4.697 3.693 5.875 . 0 0 "[ . 1]" 1
1302 1 51 PHE QD 1 71 ILE QG . . 9.170 3.734 2.795 4.674 . 0 0 "[ . 1]" 1
1303 1 51 PHE QD 1 71 ILE MD . . 10.030 3.161 1.808 4.112 . 0 0 "[ . 1]" 1
1304 1 51 PHE QE 1 55 LEU MD1 . . 9.880 2.855 1.982 3.550 . 0 0 "[ . 1]" 1
1305 1 51 PHE QE 1 55 LEU MD2 . . 9.880 4.037 3.168 4.669 . 0 0 "[ . 1]" 1
1306 1 51 PHE QE 1 55 LEU QD . . 9.590 2.792 1.972 3.445 . 0 0 "[ . 1]" 1
1307 1 51 PHE QE 1 64 ILE MD . . 7.900 4.736 3.869 5.359 . 0 0 "[ . 1]" 1
1308 1 51 PHE QE 1 67 PHE HB2 . . 8.120 3.184 2.905 3.492 . 0 0 "[ . 1]" 1
1309 1 51 PHE QE 1 67 PHE HB3 . . 8.120 2.072 1.728 3.124 . 0 0 "[ . 1]" 1
1310 1 51 PHE QE 1 67 PHE QD . . 10.010 2.296 1.808 2.731 . 0 0 "[ . 1]" 1
1311 1 51 PHE QE 1 67 PHE QE . . 10.430 3.565 3.058 3.771 . 0 0 "[ . 1]" 1
1312 1 51 PHE HZ 1 55 LEU MD1 . . 6.220 3.843 3.436 4.290 . 0 0 "[ . 1]" 1
1313 1 51 PHE HZ 1 55 LEU MD2 . . 6.220 5.053 4.829 5.186 . 0 0 "[ . 1]" 1
1314 1 51 PHE HZ 1 67 PHE HB2 . . 5.300 5.323 5.081 5.575 0.275 7 0 "[ . 1]" 1
1315 1 51 PHE HZ 1 67 PHE HB3 . . 5.300 4.095 3.843 4.443 . 0 0 "[ . 1]" 1
1316 1 51 PHE HZ 1 67 PHE QD . . 8.330 3.442 2.801 4.228 . 0 0 "[ . 1]" 1
1317 1 51 PHE HZ 1 71 ILE QG . . 6.190 5.378 4.974 5.583 . 0 0 "[ . 1]" 1
1318 1 51 PHE HZ 1 71 ILE MD . . 6.480 4.247 3.863 4.546 . 0 0 "[ . 1]" 1
1319 1 52 LEU H 1 52 LEU HB2 . . 3.940 2.591 2.377 2.691 . 0 0 "[ . 1]" 1
1320 1 52 LEU H 1 52 LEU HB3 . . 3.940 2.505 2.472 2.624 . 0 0 "[ . 1]" 1
1321 1 52 LEU H 1 52 LEU QB . . 3.670 2.263 2.209 2.295 . 0 0 "[ . 1]" 1
1322 1 52 LEU H 1 53 ILE H . . 4.100 2.381 2.259 2.610 . 0 0 "[ . 1]" 1
1323 1 52 LEU H 1 54 CYS H . . 4.780 4.073 3.879 4.412 . 0 0 "[ . 1]" 1
1324 1 52 LEU HA 1 52 LEU HG . . 4.260 2.372 2.323 2.432 . 0 0 "[ . 1]" 1
1325 1 52 LEU HA 1 53 ILE H . . 4.410 3.566 3.539 3.581 . 0 0 "[ . 1]" 1
1326 1 52 LEU HA 1 55 LEU H . . 4.100 3.326 3.227 3.477 . 0 0 "[ . 1]" 1
1327 1 52 LEU HA 1 55 LEU HB2 . . 4.460 2.177 1.944 2.383 . 0 0 "[ . 1]" 1
1328 1 52 LEU HA 1 55 LEU HB3 . . 4.460 3.488 3.258 3.628 . 0 0 "[ . 1]" 1
1329 1 52 LEU HA 1 55 LEU QB . . 4.270 2.155 1.930 2.352 . 0 0 "[ . 1]" 1
1330 1 52 LEU HA 1 55 LEU HG . . 5.350 4.787 4.200 5.304 . 0 0 "[ . 1]" 1
1331 1 52 LEU HA 1 55 LEU MD1 . . 5.860 2.830 2.293 3.335 . 0 0 "[ . 1]" 1
1332 1 52 LEU HA 1 55 LEU MD2 . . 5.860 4.328 3.967 4.732 . 0 0 "[ . 1]" 1
1333 1 52 LEU HA 1 55 LEU QD . . 5.420 2.771 2.287 3.177 . 0 0 "[ . 1]" 1
1334 1 52 LEU QB 1 53 ILE H . . 4.570 2.651 2.563 2.786 . 0 0 "[ . 1]" 1
1335 1 52 LEU HG 1 53 ILE MD . . 7.880 4.591 4.416 4.741 . 0 0 "[ . 1]" 1
1336 1 52 LEU HG 1 55 LEU MD1 . . 7.050 4.685 4.029 5.223 . 0 0 "[ . 1]" 1
1337 1 52 LEU HG 1 55 LEU MD2 . . 7.050 5.442 5.112 5.740 . 0 0 "[ . 1]" 1
1338 1 52 LEU HG 1 55 LEU QD . . 6.750 4.380 3.943 4.679 . 0 0 "[ . 1]" 1
1339 1 52 LEU QD 1 55 LEU HB2 . . 8.060 4.028 3.784 4.286 . 0 0 "[ . 1]" 1
1340 1 52 LEU QD 1 55 LEU HB3 . . 8.060 4.289 4.086 4.565 . 0 0 "[ . 1]" 1
1341 1 52 LEU QD 1 55 LEU QB . . 7.920 3.690 3.488 3.923 . 0 0 "[ . 1]" 1
1342 1 52 LEU QD 1 55 LEU MD1 . . 8.770 4.059 3.507 4.672 . 0 0 "[ . 1]" 1
1343 1 52 LEU QD 1 55 LEU MD2 . . 8.770 4.632 4.254 5.091 . 0 0 "[ . 1]" 1
1344 1 52 LEU QD 1 55 LEU QD . . 8.410 3.754 3.416 4.056 . 0 0 "[ . 1]" 1
1345 1 52 LEU QD 1 67 PHE QB . . 9.880 5.461 5.133 5.825 . 0 0 "[ . 1]" 1
1346 1 53 ILE H 1 53 ILE HB . . 3.580 2.502 2.443 2.550 . 0 0 "[ . 1]" 1
1347 1 53 ILE H 1 53 ILE QG . . 4.520 2.811 2.726 2.881 . 0 0 "[ . 1]" 1
1348 1 53 ILE H 1 53 ILE MD . . 5.650 1.429 1.339 1.524 . 0 0 "[ . 1]" 1
1349 1 53 ILE H 1 54 CYS H . . 4.000 2.755 2.646 2.878 . 0 0 "[ . 1]" 1
1350 1 53 ILE HA 1 53 ILE HG12 . . 4.150 3.584 3.527 3.643 . 0 0 "[ . 1]" 1
1351 1 53 ILE HA 1 53 ILE HG13 . . 4.150 2.340 2.280 2.410 . 0 0 "[ . 1]" 1
1352 1 53 ILE HA 1 53 ILE QG . . 3.940 2.311 2.253 2.378 . 0 0 "[ . 1]" 1
1353 1 53 ILE HA 1 56 LYS HB2 . . 4.460 2.805 2.620 2.968 . 0 0 "[ . 1]" 1
1354 1 53 ILE HA 1 56 LYS HB3 . . 4.460 4.163 3.886 4.442 . 0 0 "[ . 1]" 1
1355 1 53 ILE HA 1 56 LYS HG2 . . 5.450 5.073 4.846 5.232 . 0 0 "[ . 1]" 1
1356 1 53 ILE HA 1 56 LYS HG3 . . 5.450 5.126 4.805 5.271 . 0 0 "[ . 1]" 1
1357 1 53 ILE HA 1 56 LYS QG . . 5.130 4.541 4.340 4.650 . 0 0 "[ . 1]" 1
1358 1 53 ILE HA 1 56 LYS QE . . 6.810 3.606 3.270 3.925 . 0 0 "[ . 1]" 1
1359 1 53 ILE HB 1 54 CYS H . . 3.840 2.567 2.399 2.658 . 0 0 "[ . 1]" 1
1360 1 53 ILE MG 1 54 CYS H . . 5.540 3.490 3.338 3.621 . 0 0 "[ . 1]" 1
1361 1 53 ILE MG 1 54 CYS HA . . 6.270 3.619 3.452 3.791 . 0 0 "[ . 1]" 1
1362 1 53 ILE MG 1 57 ALA MB . . 7.140 4.052 3.842 4.240 . 0 0 "[ . 1]" 1
1363 1 53 ILE QG 1 54 CYS H . . 5.150 4.366 4.298 4.406 . 0 0 "[ . 1]" 1
1364 1 53 ILE QG 1 56 LYS QE . . 6.240 4.160 3.881 4.341 . 0 0 "[ . 1]" 1
1365 1 53 ILE MD 1 54 CYS H . . 6.060 3.276 3.147 3.397 . 0 0 "[ . 1]" 1
1366 1 53 ILE MD 1 56 LYS QE . . 8.880 4.862 4.654 5.188 . 0 0 "[ . 1]" 1
1367 1 54 CYS H 1 54 CYS HB2 . . 4.000 2.281 2.234 2.340 . 0 0 "[ . 1]" 1
1368 1 54 CYS H 1 54 CYS HB3 . . 4.000 3.546 3.528 3.563 . 0 0 "[ . 1]" 1
1369 1 54 CYS H 1 54 CYS QB . . 3.780 2.255 2.211 2.310 . 0 0 "[ . 1]" 1
1370 1 54 CYS H 1 55 LEU H . . 4.050 2.555 2.517 2.604 . 0 0 "[ . 1]" 1
1371 1 54 CYS H 1 56 LYS H . . 4.670 3.782 3.643 3.967 . 0 0 "[ . 1]" 1
1372 1 54 CYS H 1 57 ALA H . . 4.720 4.817 4.760 4.867 0.147 1 0 "[ . 1]" 1
1373 1 54 CYS HA 1 57 ALA H . . 4.310 3.203 3.134 3.286 . 0 0 "[ . 1]" 1
1374 1 54 CYS HA 1 57 ALA MB . . 5.440 2.661 2.432 2.909 . 0 0 "[ . 1]" 1
1375 1 54 CYS HB2 1 55 LEU H . . 4.310 2.489 2.385 2.627 . 0 0 "[ . 1]" 1
1376 1 54 CYS HB3 1 55 LEU H . . 4.310 3.377 3.252 3.485 . 0 0 "[ . 1]" 1
1377 1 54 CYS QB 1 55 LEU H . . 4.130 2.427 2.339 2.554 . 0 0 "[ . 1]" 1
1378 1 55 LEU H 1 55 LEU HB2 . . 3.740 2.129 2.065 2.214 . 0 0 "[ . 1]" 1
1379 1 55 LEU H 1 55 LEU HB3 . . 3.740 3.468 3.411 3.520 . 0 0 "[ . 1]" 1
1380 1 55 LEU H 1 56 LYS H . . 3.480 2.728 2.653 2.772 . 0 0 "[ . 1]" 1
1381 1 55 LEU H 1 56 LYS QB . . 5.300 4.413 4.328 4.468 . 0 0 "[ . 1]" 1
1382 1 55 LEU H 1 56 LYS QD . . 5.510 4.919 4.810 5.010 . 0 0 "[ . 1]" 1
1383 1 55 LEU H 1 57 ALA H . . 4.570 4.434 4.317 4.574 0.004 7 0 "[ . 1]" 1
1384 1 55 LEU HA 1 56 LYS H . . 4.100 3.510 3.414 3.554 . 0 0 "[ . 1]" 1
1385 1 55 LEU HA 1 58 ALA H . . 4.410 3.666 3.388 3.798 . 0 0 "[ . 1]" 1
1386 1 55 LEU HA 1 58 ALA MB . . 5.540 2.753 2.137 3.066 . 0 0 "[ . 1]" 1
1387 1 55 LEU HA 1 60 ARG QD . . 6.290 3.976 3.365 4.733 . 0 0 "[ . 1]" 1
1388 1 55 LEU HB2 1 61 GLU HA . . 4.830 3.861 3.618 4.173 . 0 0 "[ . 1]" 1
1389 1 55 LEU HB3 1 61 GLU HA . . 4.830 2.619 2.456 2.869 . 0 0 "[ . 1]" 1
1390 1 55 LEU QB 1 56 LYS H . . 5.150 2.963 2.817 3.227 . 0 0 "[ . 1]" 1
1391 1 55 LEU QB 1 61 GLU HA . . 4.670 2.578 2.427 2.803 . 0 0 "[ . 1]" 1
1392 1 55 LEU HG 1 60 ARG QB . . 6.600 3.712 2.093 4.678 . 0 0 "[ . 1]" 1
1393 1 55 LEU HG 1 61 GLU HA . . 5.350 5.422 5.358 5.471 0.121 5 0 "[ . 1]" 1
1394 1 55 LEU MD1 1 58 ALA MB . . 8.390 5.096 4.304 5.533 . 0 0 "[ . 1]" 1
1395 1 55 LEU MD1 1 60 ARG HB2 . . 8.310 4.928 3.801 5.597 . 0 0 "[ . 1]" 1
1396 1 55 LEU MD1 1 60 ARG HB3 . . 8.310 4.686 4.235 5.185 . 0 0 "[ . 1]" 1
1397 1 55 LEU MD1 1 60 ARG HD2 . . 7.360 6.019 5.762 6.168 . 0 0 "[ . 1]" 1
1398 1 55 LEU MD1 1 60 ARG HD3 . . 7.360 5.446 4.799 6.213 . 0 0 "[ . 1]" 1
1399 1 55 LEU MD1 1 61 GLU HA . . 6.170 4.447 3.919 5.184 . 0 0 "[ . 1]" 1
1400 1 55 LEU MD1 1 63 GLU HB2 . . 7.260 4.010 3.531 4.532 . 0 0 "[ . 1]" 1
1401 1 55 LEU MD1 1 63 GLU HB3 . . 7.260 5.159 4.568 5.666 . 0 0 "[ . 1]" 1
1402 1 55 LEU MD1 1 64 ILE HA . . 6.320 3.087 2.359 3.821 . 0 0 "[ . 1]" 1
1403 1 55 LEU MD1 1 64 ILE HB . . 6.840 4.927 4.229 5.580 . 0 0 "[ . 1]" 1
1404 1 55 LEU MD1 1 64 ILE HG12 . . 6.580 4.184 3.602 4.984 . 0 0 "[ . 1]" 1
1405 1 55 LEU MD1 1 64 ILE HG13 . . 6.580 4.333 3.691 5.306 . 0 0 "[ . 1]" 1
1406 1 55 LEU MD1 1 64 ILE MD . . 7.610 1.929 1.588 2.588 . 0 0 "[ . 1]" 1
1407 1 55 LEU MD1 1 67 PHE HB2 . . 6.950 3.453 2.789 4.179 . 0 0 "[ . 1]" 1
1408 1 55 LEU MD1 1 67 PHE HB3 . . 6.950 3.535 2.905 4.133 . 0 0 "[ . 1]" 1
1409 1 55 LEU MD1 1 67 PHE QD . . 8.940 2.166 1.711 3.442 . 0 0 "[ . 1]" 1
1410 1 55 LEU MD1 1 67 PHE QE . . 9.360 3.091 1.909 4.219 . 0 0 "[ . 1]" 1
1411 1 55 LEU MD2 1 58 ALA MB . . 8.390 3.972 3.422 4.721 . 0 0 "[ . 1]" 1
1412 1 55 LEU MD2 1 60 ARG HB2 . . 8.310 2.748 2.328 3.185 . 0 0 "[ . 1]" 1
1413 1 55 LEU MD2 1 60 ARG HB3 . . 8.310 2.223 1.848 2.910 . 0 0 "[ . 1]" 1
1414 1 55 LEU MD2 1 60 ARG HD2 . . 7.360 3.868 3.154 5.098 . 0 0 "[ . 1]" 1
1415 1 55 LEU MD2 1 60 ARG HD3 . . 7.360 3.281 2.161 4.383 . 0 0 "[ . 1]" 1
1416 1 55 LEU MD2 1 61 GLU HA . . 6.170 3.408 3.147 3.681 . 0 0 "[ . 1]" 1
1417 1 55 LEU MD2 1 63 GLU HB2 . . 7.260 2.469 2.107 3.145 . 0 0 "[ . 1]" 1
1418 1 55 LEU MD2 1 63 GLU HB3 . . 7.260 3.841 3.524 4.217 . 0 0 "[ . 1]" 1
1419 1 55 LEU MD2 1 64 ILE HA . . 6.320 3.457 2.637 3.999 . 0 0 "[ . 1]" 1
1420 1 55 LEU MD2 1 64 ILE HB . . 6.840 5.055 4.406 5.632 . 0 0 "[ . 1]" 1
1421 1 55 LEU MD2 1 64 ILE HG12 . . 6.580 3.470 2.230 4.142 . 0 0 "[ . 1]" 1
1422 1 55 LEU MD2 1 64 ILE HG13 . . 6.580 4.217 3.415 4.786 . 0 0 "[ . 1]" 1
1423 1 55 LEU MD2 1 64 ILE MD . . 7.610 1.942 1.608 2.303 . 0 0 "[ . 1]" 1
1424 1 55 LEU MD2 1 67 PHE HB2 . . 6.950 4.011 3.351 4.401 . 0 0 "[ . 1]" 1
1425 1 55 LEU MD2 1 67 PHE HB3 . . 6.950 4.650 4.010 5.307 . 0 0 "[ . 1]" 1
1426 1 55 LEU MD2 1 67 PHE QD . . 8.940 2.477 2.009 3.207 . 0 0 "[ . 1]" 1
1427 1 55 LEU MD2 1 67 PHE QE . . 9.360 2.393 1.847 3.892 . 0 0 "[ . 1]" 1
1428 1 55 LEU QD 1 58 ALA MB . . 8.020 3.779 3.387 4.292 . 0 0 "[ . 1]" 1
1429 1 55 LEU QD 1 60 ARG QB . . 6.630 2.074 1.785 2.386 . 0 0 "[ . 1]" 1
1430 1 55 LEU QD 1 60 ARG QD . . 6.660 3.022 2.130 3.941 . 0 0 "[ . 1]" 1
1431 1 55 LEU QD 1 61 GLU HA . . 5.640 3.278 3.108 3.568 . 0 0 "[ . 1]" 1
1432 1 55 LEU QD 1 61 GLU QB . . 10.520 4.492 4.292 4.874 . 0 0 "[ . 1]" 1
1433 1 55 LEU QD 1 62 ASP H . . 8.280 3.030 2.516 3.374 . 0 0 "[ . 1]" 1
1434 1 55 LEU QD 1 63 GLU QB . . 6.630 2.403 2.085 2.936 . 0 0 "[ . 1]" 1
1435 1 55 LEU QD 1 63 GLU QG . . 9.070 3.248 1.963 3.884 . 0 0 "[ . 1]" 1
1436 1 55 LEU QD 1 64 ILE H . . 7.400 3.413 3.207 3.772 . 0 0 "[ . 1]" 1
1437 1 55 LEU QD 1 64 ILE HA . . 5.830 2.721 2.340 3.065 . 0 0 "[ . 1]" 1
1438 1 55 LEU QD 1 64 ILE HB . . 6.170 4.312 4.031 4.596 . 0 0 "[ . 1]" 1
1439 1 55 LEU QD 1 64 ILE MG . . 9.620 2.759 2.001 3.466 . 0 0 "[ . 1]" 1
1440 1 55 LEU QD 1 64 ILE QG . . 5.980 2.985 2.189 3.251 . 0 0 "[ . 1]" 1
1441 1 55 LEU QD 1 64 ILE MD . . 7.090 1.636 1.537 1.808 . 0 0 "[ . 1]" 1
1442 1 55 LEU QD 1 67 PHE QB . . 6.620 2.917 2.501 3.306 . 0 0 "[ . 1]" 1
1443 1 55 LEU QD 1 67 PHE QD . . 8.680 1.985 1.697 2.926 . 0 0 "[ . 1]" 1
1444 1 55 LEU QD 1 67 PHE QE . . 9.000 2.254 1.790 3.593 . 0 0 "[ . 1]" 1
1445 1 56 LYS H 1 56 LYS HB2 . . 3.740 2.066 2.036 2.111 . 0 0 "[ . 1]" 1
1446 1 56 LYS H 1 56 LYS HB3 . . 3.740 3.370 3.328 3.416 . 0 0 "[ . 1]" 1
1447 1 56 LYS H 1 57 ALA H . . 3.890 2.548 2.360 2.628 . 0 0 "[ . 1]" 1
1448 1 56 LYS H 1 58 ALA H . . 4.780 3.718 3.512 3.866 . 0 0 "[ . 1]" 1
1449 1 56 LYS HA 1 56 LYS HG2 . . 4.460 2.967 2.858 3.043 . 0 0 "[ . 1]" 1
1450 1 56 LYS HA 1 56 LYS HG3 . . 4.460 1.995 1.936 2.074 . 0 0 "[ . 1]" 1
1451 1 56 LYS HA 1 59 ASN H . . 4.520 3.318 3.048 3.537 . 0 0 "[ . 1]" 1
1452 1 56 LYS HA 1 59 ASN HA . . 4.880 3.861 3.606 4.129 . 0 0 "[ . 1]" 1
1453 1 56 LYS HA 1 59 ASN QB . . 6.550 5.451 5.225 5.718 . 0 0 "[ . 1]" 1
1454 1 56 LYS HA 1 60 ARG H . . 4.570 4.297 3.363 4.581 0.011 10 0 "[ . 1]" 1
1455 1 56 LYS HA 1 61 GLU H . . 4.310 3.310 3.136 3.458 . 0 0 "[ . 1]" 1
1456 1 56 LYS HA 1 61 GLU QB . . 5.670 2.141 1.923 2.695 . 0 0 "[ . 1]" 1
1457 1 56 LYS HB2 1 57 ALA H . . 4.050 2.882 2.791 2.980 . 0 0 "[ . 1]" 1
1458 1 56 LYS HB3 1 57 ALA H . . 4.050 3.036 2.986 3.164 . 0 0 "[ . 1]" 1
1459 1 56 LYS QB 1 57 ALA HA . . 6.290 3.796 3.780 3.830 . 0 0 "[ . 1]" 1
1460 1 56 LYS QB 1 61 GLU H . . 5.820 5.204 5.004 5.271 . 0 0 "[ . 1]" 1
1461 1 56 LYS HG2 1 61 GLU HG2 . . 6.870 4.874 4.258 5.513 . 0 0 "[ . 1]" 1
1462 1 56 LYS HG2 1 61 GLU HG3 . . 6.870 4.194 3.363 4.829 . 0 0 "[ . 1]" 1
1463 1 56 LYS HG3 1 61 GLU HG2 . . 6.870 3.832 3.474 4.359 . 0 0 "[ . 1]" 1
1464 1 56 LYS HG3 1 61 GLU HG3 . . 6.870 2.818 2.109 3.478 . 0 0 "[ . 1]" 1
1465 1 56 LYS QG 1 57 ALA H . . 5.040 4.398 4.361 4.425 . 0 0 "[ . 1]" 1
1466 1 56 LYS QG 1 61 GLU QG . . 5.470 2.696 2.068 3.265 . 0 0 "[ . 1]" 1
1467 1 57 ALA H 1 58 ALA H . . 3.890 2.686 2.544 2.742 . 0 0 "[ . 1]" 1
1468 1 57 ALA H 1 59 ASN H . . 4.570 4.135 4.058 4.216 . 0 0 "[ . 1]" 1
1469 1 57 ALA HA 1 58 ALA H . . 4.310 3.393 3.357 3.425 . 0 0 "[ . 1]" 1
1470 1 57 ALA HA 1 58 ALA MB . . 7.000 4.865 4.828 4.898 . 0 0 "[ . 1]" 1
1471 1 57 ALA HA 1 59 ASN H . . 4.520 3.688 3.570 3.832 . 0 0 "[ . 1]" 1
1472 1 57 ALA MB 1 58 ALA H . . 5.340 3.199 3.133 3.268 . 0 0 "[ . 1]" 1
1473 1 57 ALA MB 1 58 ALA HA . . 6.640 4.030 3.997 4.066 . 0 0 "[ . 1]" 1
1474 1 57 ALA MB 1 59 ASN H . . 5.960 4.436 4.384 4.501 . 0 0 "[ . 1]" 1
1475 1 58 ALA H 1 59 ASN H . . 3.790 2.219 2.042 2.336 . 0 0 "[ . 1]" 1
1476 1 58 ALA H 1 59 ASN HA . . 4.410 4.408 4.295 4.498 0.088 10 0 "[ . 1]" 1
1477 1 58 ALA H 1 59 ASN QB . . 5.720 4.689 4.615 4.754 . 0 0 "[ . 1]" 1
1478 1 58 ALA H 1 60 ARG H . . 4.670 3.598 3.136 4.652 . 0 0 "[ . 1]" 1
1479 1 58 ALA HA 1 59 ASN H . . 4.150 3.243 3.143 3.381 . 0 0 "[ . 1]" 1
1480 1 58 ALA HA 1 59 ASN QB . . 6.650 3.734 3.695 3.884 . 0 0 "[ . 1]" 1
1481 1 58 ALA HA 1 60 ARG QD . . 6.180 4.672 3.584 5.516 . 0 0 "[ . 1]" 1
1482 1 58 ALA MB 1 59 ASN HA . . 7.160 4.855 4.734 4.943 . 0 0 "[ . 1]" 1
1483 1 58 ALA MB 1 59 ASN HB2 . . 7.730 5.350 4.785 5.497 . 0 0 "[ . 1]" 1
1484 1 58 ALA MB 1 59 ASN HB3 . . 7.730 4.233 4.137 4.379 . 0 0 "[ . 1]" 1
1485 1 58 ALA MB 1 59 ASN QB . . 7.460 4.075 4.009 4.156 . 0 0 "[ . 1]" 1
1486 1 58 ALA MB 1 60 ARG H . . 5.860 2.704 2.289 4.650 . 0 0 "[ . 1]" 1
1487 1 58 ALA MB 1 60 ARG HA . . 6.790 4.540 4.281 5.613 . 0 0 "[ . 1]" 1
1488 1 58 ALA MB 1 60 ARG HD2 . . 5.540 2.486 1.699 4.137 . 0 0 "[ . 1]" 1
1489 1 58 ALA MB 1 60 ARG HD3 . . 5.540 3.258 2.223 3.993 . 0 0 "[ . 1]" 1
1490 1 58 ALA MB 1 60 ARG QD . . 5.400 2.278 1.649 3.348 . 0 0 "[ . 1]" 1
1491 1 58 ALA MB 1 61 GLU H . . 6.530 4.223 3.857 5.008 . 0 0 "[ . 1]" 1
1492 1 59 ASN H 1 59 ASN HB2 . . 3.940 3.547 3.192 3.880 . 0 0 "[ . 1]" 1
1493 1 59 ASN H 1 59 ASN HB3 . . 3.940 3.312 3.209 3.745 . 0 0 "[ . 1]" 1
1494 1 59 ASN H 1 60 ARG H . . 3.840 2.961 2.749 3.188 . 0 0 "[ . 1]" 1
1495 1 59 ASN H 1 61 GLU H . . 4.520 4.464 3.780 4.648 0.128 10 0 "[ . 1]" 1
1496 1 59 ASN HA 1 59 ASN HD21 . . 4.880 3.494 1.573 3.919 . 0 0 "[ . 1]" 1
1497 1 59 ASN HA 1 59 ASN HD22 . . 4.880 4.509 3.258 4.750 . 0 0 "[ . 1]" 1
1498 1 59 ASN HA 1 60 ARG H . . 3.840 3.344 2.303 3.501 . 0 0 "[ . 1]" 1
1499 1 59 ASN HB2 1 59 ASN HD22 . . 4.200 4.034 3.641 4.165 . 0 0 "[ . 1]" 1
1500 1 59 ASN HB2 1 60 ARG H . . 4.570 4.428 4.345 4.659 0.089 2 0 "[ . 1]" 1
1501 1 59 ASN HB3 1 59 ASN HD22 . . 4.200 3.787 3.619 4.165 . 0 0 "[ . 1]" 1
1502 1 59 ASN HB3 1 60 ARG H . . 4.570 3.519 3.226 4.456 . 0 0 "[ . 1]" 1
1503 1 59 ASN QB 1 60 ARG H . . 4.380 3.376 3.144 4.053 . 0 0 "[ . 1]" 1
1504 1 59 ASN HD21 1 60 ARG H . . 4.460 3.000 2.339 4.249 . 0 0 "[ . 1]" 1
1505 1 59 ASN HD22 1 60 ARG H . . 4.460 4.294 3.939 4.487 0.027 7 0 "[ . 1]" 1
1506 1 60 ARG H 1 61 GLU H . . 3.940 3.105 2.497 3.343 . 0 0 "[ . 1]" 1
1507 1 60 ARG H 1 61 GLU QB . . 5.410 4.361 3.227 4.556 . 0 0 "[ . 1]" 1
1508 1 60 ARG HA 1 60 ARG HD2 . . 5.090 4.090 3.586 4.728 . 0 0 "[ . 1]" 1
1509 1 60 ARG HA 1 60 ARG HD3 . . 5.090 4.147 1.931 4.614 . 0 0 "[ . 1]" 1
1510 1 60 ARG HA 1 60 ARG QD . . 4.940 3.576 1.923 4.024 . 0 0 "[ . 1]" 1
1511 1 60 ARG HA 1 61 GLU H . . 4.050 3.504 3.072 3.616 . 0 0 "[ . 1]" 1
1512 1 60 ARG HA 1 62 ASP H . . 4.100 3.820 3.360 4.098 . 0 0 "[ . 1]" 1
1513 1 60 ARG HA 1 62 ASP QB . . 6.860 3.497 3.303 3.709 . 0 0 "[ . 1]" 1
1514 1 60 ARG HA 1 63 GLU H . . 4.670 4.545 3.693 4.745 0.075 9 0 "[ . 1]" 1
1515 1 60 ARG QB 1 61 GLU H . . 5.510 2.452 2.020 3.724 . 0 0 "[ . 1]" 1
1516 1 60 ARG QB 1 63 GLU H . . 5.560 3.184 2.814 3.601 . 0 0 "[ . 1]" 1
1517 1 60 ARG HE 1 60 ARG HG2 . . 4.200 2.872 2.167 3.247 . 0 0 "[ . 1]" 1
1518 1 60 ARG HE 1 60 ARG HG3 . . 4.200 3.057 2.186 3.875 . 0 0 "[ . 1]" 1
1519 1 60 ARG QD 1 61 GLU H . . 5.510 4.400 4.036 4.869 . 0 0 "[ . 1]" 1
1520 1 61 GLU H 1 62 ASP H . . 3.740 3.127 2.950 3.490 . 0 0 "[ . 1]" 1
1521 1 61 GLU H 1 63 GLU H . . 4.570 4.497 4.316 4.805 0.235 7 0 "[ . 1]" 1
1522 1 61 GLU H 1 64 ILE QG . . 5.670 4.437 3.956 5.138 . 0 0 "[ . 1]" 1
1523 1 61 GLU HA 1 62 ASP H . . 4.000 2.813 2.704 2.942 . 0 0 "[ . 1]" 1
1524 1 61 GLU HA 1 63 GLU H . . 4.260 4.271 4.000 4.342 0.082 2 0 "[ . 1]" 1
1525 1 61 GLU HA 1 64 ILE QG . . 5.090 2.558 2.321 2.850 . 0 0 "[ . 1]" 1
1526 1 61 GLU HA 1 64 ILE MD . . 5.440 2.157 1.777 2.939 . 0 0 "[ . 1]" 1
1527 1 61 GLU QB 1 62 ASP H . . 4.630 3.942 3.856 4.005 . 0 0 "[ . 1]" 1
1528 1 61 GLU HG2 1 62 ASP HA . . 5.190 4.420 4.315 4.476 . 0 0 "[ . 1]" 1
1529 1 61 GLU HG2 1 64 ILE HG12 . . 6.760 4.549 4.195 5.060 . 0 0 "[ . 1]" 1
1530 1 61 GLU HG2 1 64 ILE HG13 . . 6.760 3.714 3.363 3.988 . 0 0 "[ . 1]" 1
1531 1 61 GLU HG3 1 62 ASP HA . . 5.190 5.212 5.185 5.273 0.083 7 0 "[ . 1]" 1
1532 1 61 GLU HG3 1 64 ILE HG12 . . 6.760 4.098 3.787 4.403 . 0 0 "[ . 1]" 1
1533 1 61 GLU HG3 1 64 ILE HG13 . . 6.760 2.876 2.504 3.268 . 0 0 "[ . 1]" 1
1534 1 61 GLU QG 1 62 ASP H . . 4.940 4.247 4.174 4.311 . 0 0 "[ . 1]" 1
1535 1 61 GLU QG 1 62 ASP HA . . 5.020 4.192 4.130 4.225 . 0 0 "[ . 1]" 1
1536 1 61 GLU QG 1 64 ILE MG . . 6.280 4.128 3.767 4.485 . 0 0 "[ . 1]" 1
1537 1 61 GLU QG 1 64 ILE QG . . 5.500 2.714 2.397 2.998 . 0 0 "[ . 1]" 1
1538 1 62 ASP H 1 63 GLU H . . 3.680 1.758 1.547 1.864 . 0 0 "[ . 1]" 1
1539 1 62 ASP H 1 64 ILE H . . 4.150 3.281 2.983 3.744 . 0 0 "[ . 1]" 1
1540 1 62 ASP H 1 64 ILE MG . . 6.530 5.298 4.939 5.517 . 0 0 "[ . 1]" 1
1541 1 62 ASP HA 1 64 ILE HB . . 5.090 4.906 4.497 5.127 0.037 6 0 "[ . 1]" 1
1542 1 62 ASP HA 1 64 ILE MG . . 6.950 5.738 5.625 5.897 . 0 0 "[ . 1]" 1
1543 1 62 ASP HA 1 65 GLU QG . . 6.600 5.448 4.579 5.792 . 0 0 "[ . 1]" 1
1544 1 63 GLU H 1 63 GLU HB2 . . 4.000 2.661 2.420 3.342 . 0 0 "[ . 1]" 1
1545 1 63 GLU H 1 63 GLU HB3 . . 4.000 3.575 3.210 3.638 . 0 0 "[ . 1]" 1
1546 1 63 GLU H 1 63 GLU QB . . 3.650 2.568 2.385 2.914 . 0 0 "[ . 1]" 1
1547 1 63 GLU H 1 63 GLU QG . . 4.730 1.960 1.445 2.324 . 0 0 "[ . 1]" 1
1548 1 63 GLU H 1 64 ILE H . . 3.740 2.813 2.665 3.114 . 0 0 "[ . 1]" 1
1549 1 63 GLU H 1 64 ILE QG . . 5.560 3.262 3.034 3.385 . 0 0 "[ . 1]" 1
1550 1 63 GLU H 1 64 ILE MD . . 6.060 3.353 2.661 4.382 . 0 0 "[ . 1]" 1
1551 1 63 GLU H 1 66 LYS QE . . 5.300 4.745 4.643 4.856 . 0 0 "[ . 1]" 1
1552 1 63 GLU H 1 67 PHE QD . . 7.180 4.927 3.896 5.753 . 0 0 "[ . 1]" 1
1553 1 63 GLU HA 1 63 GLU HG2 . . 4.200 2.739 2.417 3.508 . 0 0 "[ . 1]" 1
1554 1 63 GLU HA 1 63 GLU HG3 . . 4.200 3.488 2.942 4.194 . 0 0 "[ . 1]" 1
1555 1 63 GLU HA 1 64 ILE H . . 4.000 3.079 2.856 3.219 . 0 0 "[ . 1]" 1
1556 1 63 GLU HA 1 65 GLU H . . 4.670 3.963 3.687 4.392 . 0 0 "[ . 1]" 1
1557 1 63 GLU HA 1 66 LYS HB2 . . 5.190 5.141 4.857 5.307 0.117 2 0 "[ . 1]" 1
1558 1 63 GLU HA 1 66 LYS HB3 . . 5.190 4.619 3.894 4.971 . 0 0 "[ . 1]" 1
1559 1 63 GLU HA 1 66 LYS QB . . 5.040 4.293 3.749 4.546 . 0 0 "[ . 1]" 1
1560 1 63 GLU HA 1 67 PHE H . . 4.620 4.178 4.022 4.274 . 0 0 "[ . 1]" 1
1561 1 63 GLU HB2 1 66 LYS QD . . 7.280 3.223 1.913 4.216 . 0 0 "[ . 1]" 1
1562 1 63 GLU HB2 1 67 PHE H . . 4.880 4.768 3.798 4.940 0.060 9 0 "[ . 1]" 1
1563 1 63 GLU HB2 1 67 PHE QD . . 7.500 3.121 2.459 4.072 . 0 0 "[ . 1]" 1
1564 1 63 GLU HB2 1 67 PHE QE . . 7.650 2.776 1.865 3.724 . 0 0 "[ . 1]" 1
1565 1 63 GLU HB3 1 66 LYS QD . . 7.280 2.158 1.880 2.888 . 0 0 "[ . 1]" 1
1566 1 63 GLU HB3 1 67 PHE H . . 4.880 4.323 3.930 4.867 . 0 0 "[ . 1]" 1
1567 1 63 GLU HB3 1 67 PHE QD . . 7.500 3.558 2.738 4.127 . 0 0 "[ . 1]" 1
1568 1 63 GLU HB3 1 67 PHE QE . . 7.650 3.292 2.759 3.607 . 0 0 "[ . 1]" 1
1569 1 63 GLU QB 1 64 ILE H . . 5.300 3.739 3.564 3.893 . 0 0 "[ . 1]" 1
1570 1 63 GLU QB 1 66 LYS QB . . 6.870 4.352 3.775 4.683 . 0 0 "[ . 1]" 1
1571 1 63 GLU QB 1 66 LYS QD . . 7.060 2.078 1.847 2.841 . 0 0 "[ . 1]" 1
1572 1 63 GLU QB 1 67 PHE H . . 4.700 3.968 3.671 4.196 . 0 0 "[ . 1]" 1
1573 1 63 GLU QB 1 67 PHE QD . . 7.380 2.901 2.350 3.616 . 0 0 "[ . 1]" 1
1574 1 63 GLU QB 1 67 PHE QE . . 7.540 2.591 1.837 3.245 . 0 0 "[ . 1]" 1
1575 1 63 GLU HG2 1 66 LYS HE2 . . 6.810 3.837 2.409 5.602 . 0 0 "[ . 1]" 1
1576 1 63 GLU HG2 1 66 LYS HE3 . . 6.810 3.507 2.660 5.003 . 0 0 "[ . 1]" 1
1577 1 63 GLU HG2 1 67 PHE QD . . 8.380 5.453 4.721 6.235 . 0 0 "[ . 1]" 1
1578 1 63 GLU HG3 1 66 LYS HE2 . . 6.810 4.793 3.984 5.349 . 0 0 "[ . 1]" 1
1579 1 63 GLU HG3 1 66 LYS HE3 . . 6.810 4.005 3.598 4.291 . 0 0 "[ . 1]" 1
1580 1 63 GLU HG3 1 67 PHE QD . . 8.380 5.243 4.479 6.034 . 0 0 "[ . 1]" 1
1581 1 63 GLU QG 1 64 ILE H . . 4.880 4.151 3.375 4.428 . 0 0 "[ . 1]" 1
1582 1 63 GLU QG 1 66 LYS QE . . 5.790 2.941 2.277 3.831 . 0 0 "[ . 1]" 1
1583 1 63 GLU QG 1 67 PHE QD . . 8.170 4.756 4.088 5.460 . 0 0 "[ . 1]" 1
1584 1 63 GLU QG 1 67 PHE QE . . 9.060 4.121 3.210 4.956 . 0 0 "[ . 1]" 1
1585 1 64 ILE H 1 64 ILE HB . . 3.370 2.793 2.432 3.022 . 0 0 "[ . 1]" 1
1586 1 64 ILE H 1 64 ILE HG12 . . 3.940 1.636 1.393 2.205 . 0 0 "[ . 1]" 1
1587 1 64 ILE H 1 64 ILE HG13 . . 3.940 3.199 3.053 3.532 . 0 0 "[ . 1]" 1
1588 1 64 ILE H 1 64 ILE QG . . 3.750 1.629 1.390 2.184 . 0 0 "[ . 1]" 1
1589 1 64 ILE H 1 65 GLU H . . 3.890 2.544 2.426 2.632 . 0 0 "[ . 1]" 1
1590 1 64 ILE HA 1 64 ILE HG12 . . 4.260 3.252 2.909 3.522 . 0 0 "[ . 1]" 1
1591 1 64 ILE HA 1 64 ILE HG13 . . 4.260 3.905 3.741 4.004 . 0 0 "[ . 1]" 1
1592 1 64 ILE HA 1 65 GLU H . . 4.100 3.589 3.564 3.615 . 0 0 "[ . 1]" 1
1593 1 64 ILE HA 1 66 LYS H . . 4.570 4.641 4.581 4.688 0.118 2 0 "[ . 1]" 1
1594 1 64 ILE HA 1 67 PHE H . . 4.150 3.321 3.233 3.581 . 0 0 "[ . 1]" 1
1595 1 64 ILE HA 1 67 PHE HB2 . . 4.720 2.089 1.829 2.787 . 0 0 "[ . 1]" 1
1596 1 64 ILE HA 1 67 PHE HB3 . . 4.720 3.482 3.140 3.979 . 0 0 "[ . 1]" 1
1597 1 64 ILE HA 1 67 PHE QB . . 4.490 2.070 1.818 2.735 . 0 0 "[ . 1]" 1
1598 1 64 ILE HA 1 67 PHE QD . . 7.180 3.225 2.515 4.025 . 0 0 "[ . 1]" 1
1599 1 64 ILE MG 1 65 GLU H . . 4.920 3.845 3.168 4.155 . 0 0 "[ . 1]" 1
1600 1 64 ILE MG 1 65 GLU HA . . 5.700 4.264 3.396 4.745 . 0 0 "[ . 1]" 1
1601 1 64 ILE MG 1 65 GLU QB . . 7.470 5.049 4.340 5.393 . 0 0 "[ . 1]" 1
1602 1 64 ILE MG 1 68 ARG H . . 5.700 4.030 3.733 4.310 . 0 0 "[ . 1]" 1
1603 1 64 ILE MG 1 68 ARG QD . . 7.580 2.627 1.807 3.650 . 0 0 "[ . 1]" 1
1604 1 64 ILE MG 1 68 ARG HE . . 6.580 4.262 3.296 5.407 . 0 0 "[ . 1]" 1
1605 1 64 ILE HG12 1 65 GLU H . . 4.520 3.534 3.135 4.129 . 0 0 "[ . 1]" 1
1606 1 64 ILE HG13 1 65 GLU H . . 4.520 4.468 3.984 4.590 0.070 4 0 "[ . 1]" 1
1607 1 64 ILE QG 1 65 GLU H . . 4.300 3.395 3.078 3.844 . 0 0 "[ . 1]" 1
1608 1 64 ILE QG 1 65 GLU HA . . 6.390 5.419 5.145 5.734 . 0 0 "[ . 1]" 1
1609 1 64 ILE QG 1 65 GLU QB . . 7.020 4.982 4.504 5.486 . 0 0 "[ . 1]" 1
1610 1 64 ILE QG 1 67 PHE QB . . 7.380 4.694 4.398 5.176 . 0 0 "[ . 1]" 1
1611 1 64 ILE QG 1 68 ARG QD . . 7.590 5.103 4.622 5.671 . 0 0 "[ . 1]" 1
1612 1 64 ILE MD 1 67 PHE QB . . 8.150 3.469 3.047 4.014 . 0 0 "[ . 1]" 1
1613 1 65 GLU H 1 65 GLU QG . . 4.680 2.589 1.892 3.321 . 0 0 "[ . 1]" 1
1614 1 65 GLU H 1 66 LYS H . . 3.740 2.944 2.758 3.109 . 0 0 "[ . 1]" 1
1615 1 65 GLU H 1 66 LYS QG . . 5.670 3.756 3.545 3.987 . 0 0 "[ . 1]" 1
1616 1 65 GLU H 1 67 PHE H . . 4.930 4.082 3.857 4.302 . 0 0 "[ . 1]" 1
1617 1 65 GLU H 1 68 ARG H . . 4.670 4.524 4.419 4.615 . 0 0 "[ . 1]" 1
1618 1 65 GLU H 1 68 ARG QD . . 6.080 4.659 4.204 5.046 . 0 0 "[ . 1]" 1
1619 1 65 GLU HA 1 66 LYS H . . 4.200 3.610 3.603 3.612 . 0 0 "[ . 1]" 1
1620 1 65 GLU HA 1 68 ARG H . . 3.940 3.566 3.270 3.811 . 0 0 "[ . 1]" 1
1621 1 65 GLU HA 1 68 ARG QB . . 5.350 2.596 2.050 2.969 . 0 0 "[ . 1]" 1
1622 1 65 GLU HA 1 68 ARG QG . . 5.510 4.310 3.879 4.788 . 0 0 "[ . 1]" 1
1623 1 65 GLU HA 1 68 ARG QD . . 5.040 3.276 2.619 4.107 . 0 0 "[ . 1]" 1
1624 1 65 GLU QB 1 66 LYS H . . 5.040 2.823 2.411 3.257 . 0 0 "[ . 1]" 1
1625 1 65 GLU QB 1 66 LYS HA . . 6.450 4.016 3.752 4.342 . 0 0 "[ . 1]" 1
1626 1 65 GLU QG 1 66 LYS H . . 5.560 2.903 1.392 4.294 . 0 0 "[ . 1]" 1
1627 1 65 GLU QG 1 66 LYS HA . . 6.600 4.325 3.214 5.461 . 0 0 "[ . 1]" 1
1628 1 65 GLU QG 1 68 ARG QD . . 7.540 4.976 4.045 5.554 . 0 0 "[ . 1]" 1
1629 1 65 GLU QG 1 69 VAL QG . . 8.390 5.305 4.997 5.503 . 0 0 "[ . 1]" 1
1630 1 66 LYS H 1 66 LYS HB2 . . 3.790 3.538 3.488 3.571 . 0 0 "[ . 1]" 1
1631 1 66 LYS H 1 66 LYS HB3 . . 3.790 2.742 2.507 2.956 . 0 0 "[ . 1]" 1
1632 1 66 LYS H 1 66 LYS HG2 . . 4.570 2.498 2.250 2.672 . 0 0 "[ . 1]" 1
1633 1 66 LYS H 1 66 LYS HG3 . . 4.570 1.879 1.396 2.356 . 0 0 "[ . 1]" 1
1634 1 66 LYS H 1 66 LYS QG . . 4.380 1.778 1.389 2.188 . 0 0 "[ . 1]" 1
1635 1 66 LYS H 1 66 LYS QE . . 5.610 4.167 4.022 4.358 . 0 0 "[ . 1]" 1
1636 1 66 LYS H 1 67 PHE H . . 3.940 2.624 2.484 2.814 . 0 0 "[ . 1]" 1
1637 1 66 LYS H 1 68 ARG H . . 4.930 3.915 3.733 4.058 . 0 0 "[ . 1]" 1
1638 1 66 LYS HA 1 67 PHE H . . 4.200 3.578 3.548 3.602 . 0 0 "[ . 1]" 1
1639 1 66 LYS HA 1 69 VAL H . . 4.310 3.667 3.477 3.953 . 0 0 "[ . 1]" 1
1640 1 66 LYS HA 1 69 VAL HB . . 4.360 3.827 3.520 4.421 0.061 4 0 "[ . 1]" 1
1641 1 66 LYS HA 1 69 VAL MG1 . . 6.690 2.553 1.780 3.392 . 0 0 "[ . 1]" 1
1642 1 66 LYS HA 1 69 VAL MG2 . . 6.690 4.830 4.428 5.384 . 0 0 "[ . 1]" 1
1643 1 66 LYS HA 1 69 VAL QG . . 5.960 2.541 1.779 3.355 . 0 0 "[ . 1]" 1
1644 1 66 LYS HB2 1 66 LYS HE2 . . 5.140 3.564 2.904 3.937 . 0 0 "[ . 1]" 1
1645 1 66 LYS HB2 1 66 LYS HE3 . . 5.140 4.316 4.066 4.523 . 0 0 "[ . 1]" 1
1646 1 66 LYS HB2 1 67 PHE H . . 4.100 3.535 3.394 3.692 . 0 0 "[ . 1]" 1
1647 1 66 LYS HB3 1 66 LYS HE2 . . 5.140 3.427 2.817 4.015 . 0 0 "[ . 1]" 1
1648 1 66 LYS HB3 1 66 LYS HE3 . . 5.140 4.727 4.374 5.044 . 0 0 "[ . 1]" 1
1649 1 66 LYS HB3 1 67 PHE H . . 4.100 4.026 3.838 4.164 0.064 5 0 "[ . 1]" 1
1650 1 66 LYS HG2 1 67 PHE H . . 4.830 3.491 3.115 3.855 . 0 0 "[ . 1]" 1
1651 1 66 LYS HG3 1 67 PHE H . . 4.830 1.776 1.346 2.164 . 0 0 "[ . 1]" 1
1652 1 66 LYS QG 1 67 PHE H . . 4.520 1.770 1.345 2.153 . 0 0 "[ . 1]" 1
1653 1 66 LYS QG 1 70 TRP HE1 . . 6.500 5.635 4.949 5.919 . 0 0 "[ . 1]" 1
1654 1 66 LYS HD2 1 67 PHE HZ . . 5.140 4.225 3.648 4.859 . 0 0 "[ . 1]" 1
1655 1 66 LYS HD2 1 70 TRP HH2 . . 5.090 4.001 3.547 4.552 . 0 0 "[ . 1]" 1
1656 1 66 LYS HD3 1 67 PHE HZ . . 5.140 5.157 4.675 5.344 0.204 9 0 "[ . 1]" 1
1657 1 66 LYS HD3 1 70 TRP HH2 . . 5.090 3.178 2.837 3.571 . 0 0 "[ . 1]" 1
1658 1 66 LYS QD 1 70 TRP HE1 . . 6.500 4.458 4.027 4.737 . 0 0 "[ . 1]" 1
1659 1 66 LYS QD 1 70 TRP HZ2 . . 6.030 3.125 2.593 3.403 . 0 0 "[ . 1]" 1
1660 1 66 LYS QD 1 70 TRP HH2 . . 4.940 3.045 2.762 3.391 . 0 0 "[ . 1]" 1
1661 1 66 LYS HE2 1 67 PHE H . . 4.980 4.864 4.727 4.985 0.005 2 0 "[ . 1]" 1
1662 1 66 LYS HE2 1 67 PHE QD . . 7.960 4.907 4.365 5.287 . 0 0 "[ . 1]" 1
1663 1 66 LYS HE2 1 67 PHE QE . . 8.120 4.768 4.211 5.171 . 0 0 "[ . 1]" 1
1664 1 66 LYS HE2 1 70 TRP HH2 . . 5.500 4.798 4.111 5.541 0.041 2 0 "[ . 1]" 1
1665 1 66 LYS HE3 1 67 PHE H . . 4.980 4.959 4.822 5.060 0.080 4 0 "[ . 1]" 1
1666 1 66 LYS HE3 1 67 PHE QD . . 7.960 4.209 3.697 4.542 . 0 0 "[ . 1]" 1
1667 1 66 LYS HE3 1 67 PHE QE . . 8.120 3.499 2.687 3.884 . 0 0 "[ . 1]" 1
1668 1 66 LYS HE3 1 70 TRP HH2 . . 5.500 3.999 2.929 4.940 . 0 0 "[ . 1]" 1
1669 1 66 LYS QE 1 67 PHE H . . 4.800 4.371 4.292 4.421 . 0 0 "[ . 1]" 1
1670 1 66 LYS QE 1 67 PHE QD . . 7.800 3.976 3.508 4.262 . 0 0 "[ . 1]" 1
1671 1 66 LYS QE 1 67 PHE QE . . 7.990 3.412 2.658 3.747 . 0 0 "[ . 1]" 1
1672 1 66 LYS QE 1 70 TRP HZ3 . . 6.180 4.719 3.749 5.405 . 0 0 "[ . 1]" 1
1673 1 66 LYS QE 1 70 TRP HH2 . . 5.180 3.795 2.870 4.616 . 0 0 "[ . 1]" 1
1674 1 67 PHE H 1 67 PHE HB2 . . 3.940 2.196 2.062 2.312 . 0 0 "[ . 1]" 1
1675 1 67 PHE H 1 67 PHE HB3 . . 3.940 3.494 3.397 3.548 . 0 0 "[ . 1]" 1
1676 1 67 PHE H 1 68 ARG H . . 4.000 2.593 2.514 2.693 . 0 0 "[ . 1]" 1
1677 1 67 PHE H 1 68 ARG QB . . 5.510 4.235 4.166 4.352 . 0 0 "[ . 1]" 1
1678 1 67 PHE H 1 69 VAL H . . 4.670 4.682 4.613 4.756 0.086 10 0 "[ . 1]" 1
1679 1 67 PHE HA 1 70 TRP H . . 4.000 3.465 3.330 3.671 . 0 0 "[ . 1]" 1
1680 1 67 PHE HA 1 70 TRP HB2 . . 4.620 2.484 2.195 2.698 . 0 0 "[ . 1]" 1
1681 1 67 PHE HA 1 70 TRP HB3 . . 4.620 3.904 3.634 4.029 . 0 0 "[ . 1]" 1
1682 1 67 PHE HA 1 70 TRP HE3 . . 4.520 2.719 2.532 2.917 . 0 0 "[ . 1]" 1
1683 1 67 PHE HA 1 70 TRP HH2 . . 5.450 5.416 5.085 5.506 0.056 8 0 "[ . 1]" 1
1684 1 67 PHE HA 1 71 ILE H . . 4.460 4.151 3.748 4.488 0.028 5 0 "[ . 1]" 1
1685 1 67 PHE HA 1 71 ILE MD . . 7.160 4.060 3.418 4.853 . 0 0 "[ . 1]" 1
1686 1 67 PHE HB2 1 71 ILE MD . . 6.900 4.892 3.875 5.706 . 0 0 "[ . 1]" 1
1687 1 67 PHE HB3 1 71 ILE MD . . 6.900 3.546 2.384 4.353 . 0 0 "[ . 1]" 1
1688 1 67 PHE QB 1 68 ARG H . . 5.140 2.870 2.723 3.093 . 0 0 "[ . 1]" 1
1689 1 67 PHE QD 1 70 TRP HB2 . . 8.690 3.794 3.052 4.700 . 0 0 "[ . 1]" 1
1690 1 67 PHE QD 1 70 TRP HB3 . . 8.690 4.678 3.866 5.647 . 0 0 "[ . 1]" 1
1691 1 67 PHE QD 1 70 TRP QB . . 8.460 3.638 2.943 4.480 . 0 0 "[ . 1]" 1
1692 1 67 PHE QD 1 70 TRP HE3 . . 8.020 2.576 1.832 3.516 . 0 0 "[ . 1]" 1
1693 1 67 PHE QD 1 70 TRP HZ3 . . 8.220 3.143 2.764 3.661 . 0 0 "[ . 1]" 1
1694 1 67 PHE QD 1 71 ILE MD . . 10.290 4.228 2.472 5.431 . 0 0 "[ . 1]" 1
1695 1 67 PHE QE 1 70 TRP HE3 . . 8.230 3.393 2.533 4.231 . 0 0 "[ . 1]" 1
1696 1 68 ARG H 1 68 ARG QG . . 4.990 3.684 3.220 3.940 . 0 0 "[ . 1]" 1
1697 1 68 ARG H 1 68 ARG QD . . 5.300 3.521 2.987 4.143 . 0 0 "[ . 1]" 1
1698 1 68 ARG H 1 69 VAL H . . 3.890 2.828 2.751 2.939 . 0 0 "[ . 1]" 1
1699 1 68 ARG H 1 70 TRP H . . 4.780 3.834 3.714 4.192 . 0 0 "[ . 1]" 1
1700 1 68 ARG HA 1 69 VAL H . . 4.200 3.614 3.611 3.615 . 0 0 "[ . 1]" 1
1701 1 68 ARG HA 1 71 ILE H . . 4.520 3.561 3.255 4.058 . 0 0 "[ . 1]" 1
1702 1 68 ARG HA 1 71 ILE HB . . 4.310 3.143 2.932 3.697 . 0 0 "[ . 1]" 1
1703 1 68 ARG HA 1 71 ILE MD . . 6.010 3.681 2.261 5.077 . 0 0 "[ . 1]" 1
1704 1 68 ARG QD 1 69 VAL H . . 5.870 4.663 4.399 4.852 . 0 0 "[ . 1]" 1
1705 1 69 VAL H 1 69 VAL HB . . 3.420 2.228 2.148 2.319 . 0 0 "[ . 1]" 1
1706 1 69 VAL H 1 70 TRP H . . 3.790 2.756 2.661 2.822 . 0 0 "[ . 1]" 1
1707 1 69 VAL H 1 70 TRP HD1 . . 4.780 4.941 4.855 5.039 0.259 1 0 "[ . 1]" 1
1708 1 69 VAL H 1 71 ILE H . . 4.720 4.622 4.480 4.768 0.048 4 0 "[ . 1]" 1
1709 1 69 VAL H 1 72 SER QB . . 5.610 4.739 4.571 4.831 . 0 0 "[ . 1]" 1
1710 1 69 VAL HA 1 70 TRP H . . 4.310 3.551 3.526 3.603 . 0 0 "[ . 1]" 1
1711 1 69 VAL HA 1 72 SER H . . 3.940 3.445 3.339 3.568 . 0 0 "[ . 1]" 1
1712 1 69 VAL HA 1 72 SER HB2 . . 4.260 2.556 2.238 3.358 . 0 0 "[ . 1]" 1
1713 1 69 VAL HA 1 72 SER HB3 . . 4.260 3.564 2.672 3.776 . 0 0 "[ . 1]" 1
1714 1 69 VAL HA 1 72 SER QB . . 5.610 2.444 2.213 2.573 . 0 0 "[ . 1]" 1
1715 1 69 VAL HA 1 73 ILE QG . . 5.870 4.354 4.084 4.451 . 0 0 "[ . 1]" 1
1716 1 69 VAL HB 1 70 TRP H . . 3.740 3.798 3.497 3.924 0.184 3 0 "[ . 1]" 1
1717 1 69 VAL HB 1 70 TRP HD1 . . 5.350 4.783 4.536 4.888 . 0 0 "[ . 1]" 1
1718 1 69 VAL MG1 1 70 TRP HD1 . . 6.740 1.937 1.819 2.076 . 0 0 "[ . 1]" 1
1719 1 69 VAL MG1 1 72 SER HB2 . . 6.900 4.767 4.485 5.678 . 0 0 "[ . 1]" 1
1720 1 69 VAL MG1 1 72 SER HB3 . . 6.900 5.247 4.607 5.461 . 0 0 "[ . 1]" 1
1721 1 69 VAL MG2 1 70 TRP HD1 . . 6.740 3.845 3.611 3.988 . 0 0 "[ . 1]" 1
1722 1 69 VAL MG2 1 72 SER HB2 . . 6.900 3.595 3.354 4.430 . 0 0 "[ . 1]" 1
1723 1 69 VAL MG2 1 72 SER HB3 . . 6.900 3.645 3.282 3.848 . 0 0 "[ . 1]" 1
1724 1 69 VAL QG 1 70 TRP HA . . 7.660 2.886 2.697 2.986 . 0 0 "[ . 1]" 1
1725 1 69 VAL QG 1 70 TRP HD1 . . 5.940 1.931 1.814 2.068 . 0 0 "[ . 1]" 1
1726 1 69 VAL QG 1 70 TRP HE3 . . 7.920 5.324 5.262 5.383 . 0 0 "[ . 1]" 1
1727 1 69 VAL QG 1 72 SER QB . . 6.430 3.118 2.952 3.214 . 0 0 "[ . 1]" 1
1728 1 70 TRP H 1 70 TRP HA . . 2.960 2.837 2.765 2.871 . 0 0 "[ . 1]" 1
1729 1 70 TRP H 1 70 TRP HB2 . . 3.890 2.362 2.300 2.525 . 0 0 "[ . 1]" 1
1730 1 70 TRP H 1 70 TRP HB3 . . 3.890 3.555 3.543 3.575 . 0 0 "[ . 1]" 1
1731 1 70 TRP H 1 70 TRP HD1 . . 4.000 2.863 2.527 2.996 . 0 0 "[ . 1]" 1
1732 1 70 TRP H 1 70 TRP HE1 . . 5.610 4.768 4.388 4.909 . 0 0 "[ . 1]" 1
1733 1 70 TRP H 1 71 ILE H . . 4.200 2.808 2.613 3.074 . 0 0 "[ . 1]" 1
1734 1 70 TRP H 1 73 ILE MD . . 5.130 3.777 3.400 4.109 . 0 0 "[ . 1]" 1
1735 1 70 TRP HA 1 70 TRP HD1 . . 3.890 2.214 2.177 2.285 . 0 0 "[ . 1]" 1
1736 1 70 TRP HA 1 70 TRP HE1 . . 4.620 4.636 4.594 4.712 0.092 9 0 "[ . 1]" 1
1737 1 70 TRP HA 1 73 ILE H . . 4.150 3.099 3.072 3.139 . 0 0 "[ . 1]" 1
1738 1 70 TRP HA 1 73 ILE HB . . 4.410 2.879 2.704 2.985 . 0 0 "[ . 1]" 1
1739 1 70 TRP HA 1 73 ILE MG . . 6.170 4.115 3.932 4.200 . 0 0 "[ . 1]" 1
1740 1 70 TRP HA 1 73 ILE HG12 . . 5.560 4.055 3.881 4.120 . 0 0 "[ . 1]" 1
1741 1 70 TRP HA 1 73 ILE HG13 . . 5.560 2.841 2.327 3.138 . 0 0 "[ . 1]" 1
1742 1 70 TRP HA 1 73 ILE QG . . 5.190 2.785 2.309 3.046 . 0 0 "[ . 1]" 1
1743 1 70 TRP HA 1 73 ILE MD . . 5.540 1.823 1.676 2.245 . 0 0 "[ . 1]" 1
1744 1 70 TRP HA 1 74 LEU H . . 4.720 4.596 4.493 4.693 . 0 0 "[ . 1]" 1
1745 1 70 TRP HB2 1 71 ILE H . . 4.410 2.327 2.144 2.532 . 0 0 "[ . 1]" 1
1746 1 70 TRP HB2 1 74 LEU MD1 . . 8.820 4.441 4.250 4.766 . 0 0 "[ . 1]" 1
1747 1 70 TRP HB2 1 74 LEU MD2 . . 8.820 5.733 4.571 6.728 . 0 0 "[ . 1]" 1
1748 1 70 TRP HB2 1 74 LEU QD . . 7.690 4.240 4.126 4.577 . 0 0 "[ . 1]" 1
1749 1 70 TRP HB3 1 71 ILE H . . 4.410 3.265 3.038 3.494 . 0 0 "[ . 1]" 1
1750 1 70 TRP HB3 1 74 LEU MD1 . . 8.820 3.671 3.325 4.150 . 0 0 "[ . 1]" 1
1751 1 70 TRP HB3 1 74 LEU MD2 . . 8.820 4.472 3.281 5.611 . 0 0 "[ . 1]" 1
1752 1 70 TRP HB3 1 74 LEU QD . . 7.690 3.405 3.136 3.956 . 0 0 "[ . 1]" 1
1753 1 70 TRP QB 1 74 LEU QD . . 7.270 3.270 3.045 3.733 . 0 0 "[ . 1]" 1
1754 1 70 TRP HD1 1 71 ILE H . . 4.830 4.961 4.914 4.992 0.162 4 0 "[ . 1]" 1
1755 1 70 TRP HD1 1 73 ILE HB . . 5.040 4.732 4.525 4.855 . 0 0 "[ . 1]" 1
1756 1 70 TRP HD1 1 73 ILE QG . . 6.450 3.856 3.570 3.984 . 0 0 "[ . 1]" 1
1757 1 70 TRP HD1 1 73 ILE MD . . 5.860 2.099 1.962 2.404 . 0 0 "[ . 1]" 1
1758 1 70 TRP HE3 1 71 ILE MD . . 7.100 4.338 3.741 4.618 . 0 0 "[ . 1]" 1
1759 1 70 TRP HE1 1 73 ILE QG . . 6.390 5.850 5.744 5.911 . 0 0 "[ . 1]" 1
1760 1 70 TRP HE1 1 73 ILE MD . . 6.170 3.838 3.743 4.002 . 0 0 "[ . 1]" 1
1761 1 71 ILE H 1 71 ILE HB . . 3.680 2.436 2.235 2.839 . 0 0 "[ . 1]" 1
1762 1 71 ILE H 1 71 ILE MD . . 5.750 2.498 1.780 2.917 . 0 0 "[ . 1]" 1
1763 1 71 ILE H 1 72 SER H . . 3.890 2.753 2.648 2.822 . 0 0 "[ . 1]" 1
1764 1 71 ILE HA 1 73 ILE HB . . 5.760 5.009 4.953 5.110 . 0 0 "[ . 1]" 1
1765 1 71 ILE HA 1 74 LEU H . . 4.460 3.561 3.488 3.605 . 0 0 "[ . 1]" 1
1766 1 71 ILE HA 1 74 LEU HB2 . . 4.780 3.562 3.330 4.030 . 0 0 "[ . 1]" 1
1767 1 71 ILE HA 1 74 LEU HB3 . . 4.780 4.837 4.814 4.854 0.074 8 0 "[ . 1]" 1
1768 1 71 ILE HA 1 74 LEU QB . . 4.510 3.468 3.274 3.839 . 0 0 "[ . 1]" 1
1769 1 71 ILE HA 1 74 LEU HG . . 5.350 3.268 2.329 4.186 . 0 0 "[ . 1]" 1
1770 1 71 ILE HA 1 74 LEU QD . . 7.500 1.835 1.670 2.099 . 0 0 "[ . 1]" 1
1771 1 71 ILE HB 1 72 SER H . . 3.740 3.015 2.888 3.139 . 0 0 "[ . 1]" 1
1772 1 71 ILE MG 1 72 SER H . . 5.490 3.590 3.300 4.077 . 0 0 "[ . 1]" 1
1773 1 71 ILE MG 1 72 SER HA . . 6.640 3.510 3.182 4.325 . 0 0 "[ . 1]" 1
1774 1 71 ILE MG 1 75 ASN HD21 . . 6.220 3.442 2.920 4.161 . 0 0 "[ . 1]" 1
1775 1 71 ILE MG 1 75 ASN HD22 . . 6.220 3.264 2.801 4.054 . 0 0 "[ . 1]" 1
1776 1 71 ILE MG 1 75 ASN QD . . 6.070 2.966 2.545 3.655 . 0 0 "[ . 1]" 1
1777 1 71 ILE QG 1 72 SER H . . 5.460 4.297 3.738 4.571 . 0 0 "[ . 1]" 1
1778 1 71 ILE QG 1 74 LEU HG . . 6.390 5.409 4.117 5.762 . 0 0 "[ . 1]" 1
1779 1 71 ILE MD 1 72 SER H . . 6.120 4.299 4.002 4.477 . 0 0 "[ . 1]" 1
1780 1 72 SER H 1 73 ILE HB . . 4.520 4.565 4.534 4.613 0.093 9 0 "[ . 1]" 1
1781 1 72 SER H 1 74 LEU H . . 4.830 4.056 3.970 4.197 . 0 0 "[ . 1]" 1
1782 1 72 SER HA 1 73 ILE H . . 4.520 3.552 3.507 3.569 . 0 0 "[ . 1]" 1
1783 1 72 SER HA 1 73 ILE HA . . 5.450 4.849 4.797 4.870 . 0 0 "[ . 1]" 1
1784 1 72 SER HA 1 73 ILE QG . . 6.500 5.053 5.000 5.138 . 0 0 "[ . 1]" 1
1785 1 72 SER HA 1 75 ASN H . . 4.050 3.393 3.163 3.556 . 0 0 "[ . 1]" 1
1786 1 72 SER HA 1 75 ASN HB2 . . 4.880 2.637 2.554 2.817 . 0 0 "[ . 1]" 1
1787 1 72 SER HA 1 75 ASN HB3 . . 4.880 4.249 4.135 4.449 . 0 0 "[ . 1]" 1
1788 1 72 SER HA 1 75 ASN QB . . 4.650 2.613 2.531 2.788 . 0 0 "[ . 1]" 1
1789 1 72 SER HB2 1 73 ILE HG12 . . 7.130 5.712 5.234 6.582 . 0 0 "[ . 1]" 1
1790 1 72 SER HB2 1 73 ILE HG13 . . 7.130 4.186 3.803 5.086 . 0 0 "[ . 1]" 1
1791 1 72 SER HB2 1 75 ASN HB2 . . 6.860 5.213 4.711 5.354 . 0 0 "[ . 1]" 1
1792 1 72 SER HB2 1 75 ASN HB3 . . 6.860 6.772 6.148 6.897 0.037 4 0 "[ . 1]" 1
1793 1 72 SER HB2 1 75 ASN HD21 . . 6.660 4.921 4.316 5.301 . 0 0 "[ . 1]" 1
1794 1 72 SER HB2 1 75 ASN HD22 . . 6.660 6.363 5.803 6.630 . 0 0 "[ . 1]" 1
1795 1 72 SER HB3 1 73 ILE HG12 . . 7.130 4.864 4.424 5.198 . 0 0 "[ . 1]" 1
1796 1 72 SER HB3 1 73 ILE HG13 . . 7.130 3.693 3.367 3.989 . 0 0 "[ . 1]" 1
1797 1 72 SER HB3 1 75 ASN HB2 . . 6.860 4.534 4.334 5.117 . 0 0 "[ . 1]" 1
1798 1 72 SER HB3 1 75 ASN HB3 . . 6.860 6.000 5.736 6.731 . 0 0 "[ . 1]" 1
1799 1 72 SER HB3 1 75 ASN HD21 . . 6.660 4.898 4.682 5.058 . 0 0 "[ . 1]" 1
1800 1 72 SER HB3 1 75 ASN HD22 . . 6.660 6.547 6.328 6.686 0.026 8 0 "[ . 1]" 1
1801 1 72 SER QB 1 73 ILE H . . 4.830 2.834 2.702 3.011 . 0 0 "[ . 1]" 1
1802 1 72 SER QB 1 73 ILE QG . . 6.140 3.338 3.261 3.430 . 0 0 "[ . 1]" 1
1803 1 72 SER QB 1 75 ASN H . . 5.410 4.644 4.518 4.860 . 0 0 "[ . 1]" 1
1804 1 72 SER QB 1 75 ASN QB . . 5.530 4.126 4.029 4.222 . 0 0 "[ . 1]" 1
1805 1 72 SER QB 1 75 ASN QD . . 5.660 4.231 3.979 4.332 . 0 0 "[ . 1]" 1
1806 1 73 ILE H 1 73 ILE HB . . 3.740 2.449 2.416 2.480 . 0 0 "[ . 1]" 1
1807 1 73 ILE H 1 73 ILE HG12 . . 4.050 3.496 3.302 3.603 . 0 0 "[ . 1]" 1
1808 1 73 ILE H 1 73 ILE HG13 . . 4.050 2.064 1.992 2.141 . 0 0 "[ . 1]" 1
1809 1 73 ILE H 1 73 ILE QG . . 3.780 2.050 1.978 2.117 . 0 0 "[ . 1]" 1
1810 1 73 ILE H 1 73 ILE MD . . 5.280 3.260 3.052 3.643 . 0 0 "[ . 1]" 1
1811 1 73 ILE HA 1 73 ILE HG12 . . 4.200 2.641 2.421 2.779 . 0 0 "[ . 1]" 1
1812 1 73 ILE HA 1 73 ILE HG13 . . 4.200 2.796 2.671 3.101 . 0 0 "[ . 1]" 1
1813 1 73 ILE HA 1 73 ILE QG . . 4.020 2.400 2.340 2.425 . 0 0 "[ . 1]" 1
1814 1 73 ILE HA 1 74 LEU H . . 4.460 3.570 3.526 3.598 . 0 0 "[ . 1]" 1
1815 1 73 ILE HA 1 76 ALA H . . 4.000 3.777 3.306 4.077 0.077 8 0 "[ . 1]" 1
1816 1 73 ILE HA 1 76 ALA HA . . 4.830 4.319 3.978 4.629 . 0 0 "[ . 1]" 1
1817 1 73 ILE HA 1 76 ALA MB . . 6.060 4.009 2.943 4.866 . 0 0 "[ . 1]" 1
1818 1 73 ILE HB 1 74 LEU H . . 3.740 2.691 2.499 2.921 . 0 0 "[ . 1]" 1
1819 1 73 ILE MG 1 74 LEU HA . . 5.700 3.545 3.419 3.659 . 0 0 "[ . 1]" 1
1820 1 73 ILE MG 1 76 ALA H . . 6.170 4.189 3.883 4.471 . 0 0 "[ . 1]" 1
1821 1 73 ILE MG 1 76 ALA HA . . 7.360 4.876 4.492 5.322 . 0 0 "[ . 1]" 1
1822 1 73 ILE QG 1 74 LEU H . . 5.510 4.082 4.001 4.166 . 0 0 "[ . 1]" 1
1823 1 74 LEU H 1 74 LEU HG . . 3.840 1.834 1.461 2.561 . 0 0 "[ . 1]" 1
1824 1 74 LEU H 1 75 ASN H . . 3.890 2.614 2.498 2.691 . 0 0 "[ . 1]" 1
1825 1 74 LEU HA 1 74 LEU HG . . 4.460 2.926 2.324 3.508 . 0 0 "[ . 1]" 1
1826 1 74 LEU HA 1 75 ASN H . . 4.310 3.442 3.306 3.598 . 0 0 "[ . 1]" 1
1827 1 74 LEU HB2 1 75 ASN H . . 4.360 3.219 2.515 3.573 . 0 0 "[ . 1]" 1
1828 1 74 LEU HB3 1 75 ASN H . . 4.360 4.221 3.486 4.427 0.067 7 0 "[ . 1]" 1
1829 1 74 LEU QB 1 75 ASN H . . 4.130 3.122 2.460 3.422 . 0 0 "[ . 1]" 1
1830 1 74 LEU QB 1 76 ALA H . . 5.510 4.581 4.434 4.897 . 0 0 "[ . 1]" 1
1831 1 74 LEU HG 1 75 ASN H . . 4.570 4.049 3.381 4.526 . 0 0 "[ . 1]" 1
1832 1 74 LEU QD 1 75 ASN H . . 6.910 4.061 3.762 4.316 . 0 0 "[ . 1]" 1
1833 1 75 ASN H 1 75 ASN QD . . 5.340 3.454 3.105 3.700 . 0 0 "[ . 1]" 1
1834 1 75 ASN H 1 76 ALA MB . . 6.060 4.239 4.074 4.550 . 0 0 "[ . 1]" 1
1835 1 75 ASN HA 1 76 ALA H . . 4.100 3.244 3.044 3.580 . 0 0 "[ . 1]" 1
1836 1 75 ASN HA 1 76 ALA MB . . 6.430 4.424 4.096 4.735 . 0 0 "[ . 1]" 1
1837 1 75 ASN HA 1 77 GLY H . . 4.670 4.196 2.870 4.698 0.028 3 0 "[ . 1]" 1
1838 1 75 ASN HB2 1 76 ALA H . . 4.310 3.656 2.689 4.048 . 0 0 "[ . 1]" 1
1839 1 75 ASN HB2 1 76 ALA HA . . 5.870 4.891 4.588 5.070 . 0 0 "[ . 1]" 1
1840 1 75 ASN HB2 1 78 GLN HB2 . . 7.180 5.606 3.791 7.209 0.029 9 0 "[ . 1]" 1
1841 1 75 ASN HB2 1 78 GLN HB3 . . 7.180 4.622 3.918 5.499 . 0 0 "[ . 1]" 1
1842 1 75 ASN HB3 1 76 ALA H . . 4.310 4.088 3.383 4.392 0.082 8 0 "[ . 1]" 1
1843 1 75 ASN HB3 1 76 ALA HA . . 5.870 4.890 4.742 5.050 . 0 0 "[ . 1]" 1
1844 1 75 ASN HB3 1 78 GLN HB2 . . 7.180 4.277 2.140 5.851 . 0 0 "[ . 1]" 1
1845 1 75 ASN HB3 1 78 GLN HB3 . . 7.180 3.205 2.330 4.189 . 0 0 "[ . 1]" 1
1846 1 75 ASN QB 1 76 ALA HA . . 5.730 4.354 4.227 4.461 . 0 0 "[ . 1]" 1
1847 1 75 ASN QB 1 78 GLN H . . 5.250 3.954 2.965 4.471 . 0 0 "[ . 1]" 1
1848 1 75 ASN QB 1 78 GLN QB . . 6.160 2.991 2.041 3.973 . 0 0 "[ . 1]" 1
1849 1 76 ALA H 1 77 GLY H . . 3.840 3.224 2.823 3.857 0.017 2 0 "[ . 1]" 1
1850 1 76 ALA H 1 78 GLN QE . . 5.390 4.622 4.305 4.800 . 0 0 "[ . 1]" 1
1851 1 76 ALA HA 1 77 GLY H . . 3.420 3.290 2.487 3.602 0.182 10 0 "[ . 1]" 1
1852 1 76 ALA HA 1 77 GLY QA . . 5.980 4.269 3.949 4.527 . 0 0 "[ . 1]" 1
1853 1 76 ALA HA 1 78 GLN H . . 4.520 4.247 3.841 4.546 0.026 5 0 "[ . 1]" 1
1854 1 76 ALA MB 1 77 GLY H . . 5.340 2.724 1.730 3.747 . 0 0 "[ . 1]" 1
1855 1 76 ALA MB 1 77 GLY QA . . 8.150 3.672 3.317 4.173 . 0 0 "[ . 1]" 1
1856 1 76 ALA MB 1 78 GLN H . . 5.910 3.767 2.774 4.677 . 0 0 "[ . 1]" 1
1857 1 77 GLY H 1 78 GLN H . . 3.580 2.763 2.092 3.206 . 0 0 "[ . 1]" 1
1858 1 78 GLN H 1 78 GLN HB2 . . 3.840 2.899 2.074 3.910 0.070 5 0 "[ . 1]" 1
1859 1 78 GLN H 1 78 GLN HB3 . . 3.840 2.858 2.255 3.441 . 0 0 "[ . 1]" 1
1860 1 78 GLN H 1 78 GLN QB . . 3.510 2.376 2.056 2.795 . 0 0 "[ . 1]" 1
1861 1 78 GLN H 1 78 GLN QG . . 4.940 3.811 3.236 4.186 . 0 0 "[ . 1]" 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 9
_Distance_constraint_stats_list.Viol_count 23
_Distance_constraint_stats_list.Viol_total 6.267
_Distance_constraint_stats_list.Viol_max 0.067
_Distance_constraint_stats_list.Viol_rms 0.0152
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0070
_Distance_constraint_stats_list.Viol_average_violations_only 0.0272
_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 8 CYS 0.180 0.045 9 0 "[ . 1]"
1 25 CYS 0.366 0.067 5 0 "[ . 1]"
1 28 CYS 0.081 0.040 8 0 "[ . 1]"
1 41 CYS 0.366 0.067 5 0 "[ . 1]"
1 45 CYS 0.180 0.045 9 0 "[ . 1]"
1 54 CYS 0.081 0.040 8 0 "[ . 1]"
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 8 CYS SG 1 45 CYS SG . . 2.200 2.170 1.982 2.232 0.032 5 0 "[ . 1]" 2
2 1 8 CYS CB 1 45 CYS SG . . 3.200 3.143 2.970 3.245 0.045 9 0 "[ . 1]" 2
3 1 8 CYS SG 1 45 CYS CB . . 3.200 3.027 2.943 3.212 0.012 3 0 "[ . 1]" 2
4 1 25 CYS SG 1 41 CYS SG . . 2.200 2.227 2.099 2.267 0.067 5 0 "[ . 1]" 2
5 1 25 CYS CB 1 41 CYS SG . . 3.200 2.979 2.922 3.193 . 0 0 "[ . 1]" 2
6 1 25 CYS SG 1 41 CYS CB . . 3.200 2.969 2.852 3.050 . 0 0 "[ . 1]" 2
7 1 28 CYS SG 1 54 CYS SG . . 2.200 2.098 1.985 2.240 0.040 8 0 "[ . 1]" 2
8 1 28 CYS CB 1 54 CYS SG . . 3.200 2.970 2.899 3.049 . 0 0 "[ . 1]" 2
9 1 28 CYS SG 1 54 CYS CB . . 3.200 3.018 2.952 3.124 . 0 0 "[ . 1]" 2
stop_
save_
save_distance_constraint_statistics_3
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 3
_Distance_constraint_stats_list.Constraint_count 7
_Distance_constraint_stats_list.Viol_count 13
_Distance_constraint_stats_list.Viol_total 13.523
_Distance_constraint_stats_list.Viol_max 0.161
_Distance_constraint_stats_list.Viol_rms 0.0473
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0193
_Distance_constraint_stats_list.Viol_average_violations_only 0.1040
_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 6 ASN 0.000 0.000 . 0 "[ . 1]"
1 7 THR 0.000 0.000 . 0 "[ . 1]"
1 8 CYS 0.000 0.000 . 0 "[ . 1]"
1 24 VAL 0.000 0.000 . 0 "[ . 1]"
1 27 ASP 0.150 0.064 3 0 "[ . 1]"
1 31 ILE 0.150 0.064 3 0 "[ . 1]"
1 50 TRP 0.000 0.000 . 0 "[ . 1]"
1 51 PHE 0.000 0.000 . 0 "[ . 1]"
1 69 VAL 1.202 0.161 10 0 "[ . 1]"
1 71 ILE 0.000 0.000 . 0 "[ . 1]"
1 72 SER 1.202 0.161 10 0 "[ . 1]"
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 50 TRP HA 1 51 PHE QB . . 6.800 5.083 5.049 5.106 . 0 0 "[ . 1]" 3
2 1 24 VAL HA 1 27 ASP HA . . 6.900 5.736 5.252 6.024 . 0 0 "[ . 1]" 3
3 1 27 ASP HA 1 31 ILE HA . . 6.900 6.797 6.335 6.964 0.064 3 0 "[ . 1]" 3
4 1 69 VAL HA 1 72 SER HA . . 5.200 5.316 5.162 5.361 0.161 10 0 "[ . 1]" 3
5 1 71 ILE HA 1 72 SER HA . . 4.900 4.743 4.732 4.759 . 0 0 "[ . 1]" 3
6 1 6 ASN HA 1 7 THR HA . . 4.900 4.725 4.613 4.777 . 0 0 "[ . 1]" 3
7 1 7 THR HA 1 8 CYS HA . . 4.900 4.589 4.481 4.823 . 0 0 "[ . 1]" 3
stop_
save_
save_distance_constraint_statistics_4
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 4
_Distance_constraint_stats_list.Constraint_count 48
_Distance_constraint_stats_list.Viol_count 124
_Distance_constraint_stats_list.Viol_total 75.436
_Distance_constraint_stats_list.Viol_max 0.176
_Distance_constraint_stats_list.Viol_rms 0.0342
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0157
_Distance_constraint_stats_list.Viol_average_violations_only 0.0608
_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 17 ILE 0.036 0.036 4 0 "[ . 1]"
1 18 TYR 0.223 0.106 7 0 "[ . 1]"
1 19 LYS 0.340 0.078 7 0 "[ . 1]"
1 20 LYS 0.007 0.007 7 0 "[ . 1]"
1 21 VAL 0.036 0.036 4 0 "[ . 1]"
1 22 VAL 0.477 0.106 7 0 "[ . 1]"
1 23 ARG 1.046 0.131 2 0 "[ . 1]"
1 24 VAL 0.312 0.086 9 0 "[ . 1]"
1 25 CYS 0.000 0.000 . 0 "[ . 1]"
1 26 GLU 0.789 0.123 9 0 "[ . 1]"
1 27 ASP 1.010 0.131 2 0 "[ . 1]"
1 28 CYS 0.532 0.086 9 0 "[ . 1]"
1 29 THR 0.000 0.000 . 0 "[ . 1]"
1 30 ASN 0.536 0.123 9 0 "[ . 1]"
1 31 ILE 0.304 0.060 5 0 "[ . 1]"
1 32 PHE 0.227 0.069 8 0 "[ . 1]"
1 38 ASP 0.138 0.062 10 0 "[ . 1]"
1 42 ARG 0.138 0.062 10 0 "[ . 1]"
1 51 PHE 0.253 0.088 10 0 "[ . 1]"
1 52 LEU 0.030 0.030 7 0 "[ . 1]"
1 53 ILE 1.495 0.176 5 0 "[ . 1]"
1 55 LEU 0.253 0.088 10 0 "[ . 1]"
1 56 LYS 0.030 0.030 7 0 "[ . 1]"
1 57 ALA 1.495 0.176 5 0 "[ . 1]"
1 63 GLU 0.229 0.103 9 0 "[ . 1]"
1 64 ILE 0.000 0.000 . 0 "[ . 1]"
1 65 GLU 0.574 0.144 7 0 "[ . 1]"
1 66 LYS 0.360 0.108 9 0 "[ . 1]"
1 67 PHE 0.303 0.103 9 0 "[ . 1]"
1 68 ARG 0.937 0.167 3 0 "[ . 1]"
1 69 VAL 0.676 0.144 7 0 "[ . 1]"
1 70 TRP 0.774 0.108 9 0 "[ . 1]"
1 71 ILE 0.074 0.070 3 0 "[ . 1]"
1 72 SER 0.937 0.167 3 0 "[ . 1]"
1 73 ILE 0.102 0.045 10 0 "[ . 1]"
1 74 LEU 0.414 0.107 7 0 "[ . 1]"
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 17 ILE O 1 21 VAL H . . 2.300 1.873 1.626 2.336 0.036 4 0 "[ . 1]" 4
2 1 17 ILE O 1 21 VAL N . . 3.400 2.822 2.581 3.257 . 0 0 "[ . 1]" 4
3 1 18 TYR O 1 22 VAL H . . 2.300 2.062 1.843 2.406 0.106 7 0 "[ . 1]" 4
4 1 18 TYR O 1 22 VAL N . . 3.400 2.961 2.708 3.317 . 0 0 "[ . 1]" 4
5 1 19 LYS O 1 23 ARG H . . 2.300 2.326 2.219 2.378 0.078 7 0 "[ . 1]" 4
6 1 19 LYS O 1 23 ARG N . . 3.400 3.097 2.981 3.157 . 0 0 "[ . 1]" 4
7 1 20 LYS O 1 24 VAL H . . 2.300 1.943 1.759 2.307 0.007 7 0 "[ . 1]" 4
8 1 20 LYS O 1 24 VAL N . . 3.400 2.766 2.566 3.203 . 0 0 "[ . 1]" 4
9 1 21 VAL O 1 25 CYS H . . 2.300 2.059 1.958 2.174 . 0 0 "[ . 1]" 4
10 1 21 VAL O 1 25 CYS N . . 3.400 2.941 2.834 3.007 . 0 0 "[ . 1]" 4
11 1 22 VAL O 1 26 GLU H . . 2.300 2.314 2.225 2.356 0.056 9 0 "[ . 1]" 4
12 1 22 VAL O 1 26 GLU N . . 3.400 3.251 3.176 3.348 . 0 0 "[ . 1]" 4
13 1 23 ARG O 1 27 ASP H . . 2.300 2.371 2.311 2.431 0.131 2 0 "[ . 1]" 4
14 1 23 ARG O 1 27 ASP N . . 3.400 3.351 3.315 3.392 . 0 0 "[ . 1]" 4
15 1 24 VAL O 1 28 CYS H . . 2.300 2.321 2.201 2.386 0.086 9 0 "[ . 1]" 4
16 1 24 VAL O 1 28 CYS N . . 3.400 3.301 3.186 3.389 . 0 0 "[ . 1]" 4
17 1 25 CYS O 1 29 THR H . . 2.300 1.701 1.551 1.848 . 0 0 "[ . 1]" 4
18 1 25 CYS O 1 29 THR N . . 3.400 2.665 2.533 2.776 . 0 0 "[ . 1]" 4
19 1 26 GLU O 1 30 ASN H . . 2.300 2.352 2.281 2.423 0.123 9 0 "[ . 1]" 4
20 1 26 GLU O 1 30 ASN N . . 3.400 3.084 2.996 3.192 . 0 0 "[ . 1]" 4
21 1 27 ASP O 1 31 ILE H . . 2.300 2.300 2.136 2.360 0.060 5 0 "[ . 1]" 4
22 1 27 ASP O 1 31 ILE N . . 3.400 3.197 2.997 3.291 . 0 0 "[ . 1]" 4
23 1 28 CYS O 1 32 PHE H . . 2.300 2.287 2.097 2.369 0.069 8 0 "[ . 1]" 4
24 1 28 CYS O 1 32 PHE N . . 3.400 3.233 3.039 3.318 . 0 0 "[ . 1]" 4
25 1 38 ASP O 1 42 ARG H . . 2.300 2.260 2.112 2.362 0.062 10 0 "[ . 1]" 4
26 1 38 ASP O 1 42 ARG N . . 3.400 3.129 3.078 3.194 . 0 0 "[ . 1]" 4
27 1 51 PHE O 1 55 LEU H . . 2.300 2.158 1.694 2.388 0.088 10 0 "[ . 1]" 4
28 1 51 PHE O 1 55 LEU N . . 3.400 3.108 2.670 3.318 . 0 0 "[ . 1]" 4
29 1 52 LEU O 1 56 LYS H . . 2.300 2.012 1.828 2.330 0.030 7 0 "[ . 1]" 4
30 1 52 LEU O 1 56 LYS N . . 3.400 2.790 2.693 2.983 . 0 0 "[ . 1]" 4
31 1 53 ILE O 1 57 ALA H . . 2.300 2.447 2.419 2.476 0.176 5 0 "[ . 1]" 4
32 1 53 ILE O 1 57 ALA N . . 3.400 3.383 3.344 3.415 0.015 8 0 "[ . 1]" 4
33 1 63 GLU O 1 67 PHE H . . 2.300 2.097 1.719 2.403 0.103 9 0 "[ . 1]" 4
34 1 63 GLU O 1 67 PHE N . . 3.400 2.998 2.644 3.342 . 0 0 "[ . 1]" 4
35 1 64 ILE O 1 68 ARG H . . 2.300 1.716 1.625 1.826 . 0 0 "[ . 1]" 4
36 1 64 ILE O 1 68 ARG N . . 3.400 2.529 2.485 2.593 . 0 0 "[ . 1]" 4
37 1 65 GLU O 1 69 VAL H . . 2.300 2.351 2.279 2.444 0.144 7 0 "[ . 1]" 4
38 1 65 GLU O 1 69 VAL N . . 3.400 3.329 3.233 3.415 0.015 7 0 "[ . 1]" 4
39 1 66 LYS O 1 70 TRP H . . 2.300 2.285 2.019 2.408 0.108 9 0 "[ . 1]" 4
40 1 66 LYS O 1 70 TRP N . . 3.400 3.183 2.902 3.413 0.013 9 0 "[ . 1]" 4
41 1 67 PHE O 1 71 ILE H . . 2.300 2.090 1.844 2.370 0.070 3 0 "[ . 1]" 4
42 1 67 PHE O 1 71 ILE N . . 3.400 3.069 2.855 3.322 . 0 0 "[ . 1]" 4
43 1 68 ARG O 1 72 SER H . . 2.300 2.394 2.340 2.467 0.167 3 0 "[ . 1]" 4
44 1 68 ARG O 1 72 SER N . . 3.400 3.223 3.155 3.325 . 0 0 "[ . 1]" 4
45 1 69 VAL O 1 73 ILE H . . 2.300 2.232 1.838 2.345 0.045 10 0 "[ . 1]" 4
46 1 69 VAL O 1 73 ILE N . . 3.400 3.045 2.685 3.154 . 0 0 "[ . 1]" 4
47 1 70 TRP O 1 74 LEU H . . 2.300 2.336 2.277 2.407 0.107 7 0 "[ . 1]" 4
48 1 70 TRP O 1 74 LEU N . . 3.400 3.242 3.189 3.304 . 0 0 "[ . 1]" 4
stop_
save_
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