NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
507628 |
2en0   |
10229 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2en0
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 12
_Distance_constraint_stats_list.Viol_count 73
_Distance_constraint_stats_list.Viol_total 1.712
_Distance_constraint_stats_list.Viol_max 0.005
_Distance_constraint_stats_list.Viol_rms 0.0008
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0004
_Distance_constraint_stats_list.Viol_average_violations_only 0.0012
_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 13 CYS 0.032 0.005 12 0 "[ . 1 . 2]"
1 16 CYS 0.046 0.005 12 0 "[ . 1 . 2]"
1 29 HIS 0.024 0.003 7 0 "[ . 1 . 2]"
1 33 HIS 0.022 0.004 10 0 "[ . 1 . 2]"
2 1 ZN 0.047 0.004 10 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 13 CYS SG 2 1 ZN ZN . 2.330 2.370 2.362 2.334 2.372 0.002 7 0 "[ . 1 . 2]" 1
2 1 16 CYS SG 2 1 ZN ZN . 2.330 2.370 2.337 2.328 2.370 0.002 12 0 "[ . 1 . 2]" 1
3 1 29 HIS NE2 2 1 ZN ZN . 2.330 2.370 2.349 2.328 2.371 0.002 16 0 "[ . 1 . 2]" 1
4 1 33 HIS NE2 2 1 ZN ZN . 2.330 2.370 2.333 2.326 2.351 0.004 10 0 "[ . 1 . 2]" 1
5 1 13 CYS CB 2 1 ZN ZN . 3.250 3.510 3.257 3.246 3.300 0.004 19 0 "[ . 1 . 2]" 1
6 1 16 CYS CB 2 1 ZN ZN . 3.250 3.510 3.498 3.457 3.512 0.002 12 0 "[ . 1 . 2]" 1
7 1 13 CYS SG 1 16 CYS SG . 3.200 4.000 3.989 3.915 4.005 0.005 12 0 "[ . 1 . 2]" 1
8 1 13 CYS SG 1 29 HIS NE2 . 3.200 4.000 3.901 3.785 3.998 . 0 0 "[ . 1 . 2]" 1
9 1 13 CYS SG 1 33 HIS NE2 . 3.200 4.000 3.793 3.633 3.914 . 0 0 "[ . 1 . 2]" 1
10 1 16 CYS SG 1 29 HIS NE2 . 3.200 4.000 3.209 3.197 3.234 0.003 7 0 "[ . 1 . 2]" 1
11 1 16 CYS SG 1 33 HIS NE2 . 3.200 4.000 3.990 3.910 4.003 0.003 19 0 "[ . 1 . 2]" 1
12 1 29 HIS NE2 1 33 HIS NE2 . 3.200 4.000 3.969 3.878 4.001 0.001 7 0 "[ . 1 . 2]" 1
stop_
save_
save_distance_constraint_statistics_2
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 2
_Distance_constraint_stats_list.Constraint_count 986
_Distance_constraint_stats_list.Viol_count 543
_Distance_constraint_stats_list.Viol_total 137.031
_Distance_constraint_stats_list.Viol_max 0.119
_Distance_constraint_stats_list.Viol_rms 0.0034
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0003
_Distance_constraint_stats_list.Viol_average_violations_only 0.0126
_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 7 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 8 GLN 0.036 0.010 10 0 "[ . 1 . 2]"
1 9 LYS 0.182 0.029 7 0 "[ . 1 . 2]"
1 10 PRO 0.330 0.029 7 0 "[ . 1 . 2]"
1 11 TYR 1.258 0.092 17 0 "[ . 1 . 2]"
1 12 VAL 0.541 0.054 7 0 "[ . 1 . 2]"
1 13 CYS 0.286 0.036 7 0 "[ . 1 . 2]"
1 14 ASN 0.194 0.087 12 0 "[ . 1 . 2]"
1 15 GLU 0.224 0.087 12 0 "[ . 1 . 2]"
1 16 CYS 0.023 0.010 6 0 "[ . 1 . 2]"
1 17 GLY 0.049 0.017 6 0 "[ . 1 . 2]"
1 18 LYS 1.476 0.119 19 0 "[ . 1 . 2]"
1 19 ALA 0.589 0.035 11 0 "[ . 1 . 2]"
1 20 PHE 2.991 0.119 19 0 "[ . 1 . 2]"
1 21 GLY 0.002 0.002 10 0 "[ . 1 . 2]"
1 22 LEU 0.691 0.034 10 0 "[ . 1 . 2]"
1 23 LYS 0.625 0.037 7 0 "[ . 1 . 2]"
1 24 SER 0.433 0.026 10 0 "[ . 1 . 2]"
1 25 GLN 0.388 0.022 10 0 "[ . 1 . 2]"
1 26 LEU 1.258 0.092 17 0 "[ . 1 . 2]"
1 27 ILE 0.765 0.073 19 0 "[ . 1 . 2]"
1 28 ILE 0.137 0.022 10 0 "[ . 1 . 2]"
1 29 HIS 0.224 0.028 19 0 "[ . 1 . 2]"
1 30 GLU 0.371 0.035 7 0 "[ . 1 . 2]"
1 31 ARG 0.102 0.016 10 0 "[ . 1 . 2]"
1 32 ILE 0.132 0.019 2 0 "[ . 1 . 2]"
1 33 HIS 0.020 0.004 11 0 "[ . 1 . 2]"
1 34 THR 0.072 0.019 2 0 "[ . 1 . 2]"
1 35 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 36 GLU 0.005 0.005 6 0 "[ . 1 . 2]"
1 37 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 38 GLY 0.104 0.070 18 0 "[ . 1 . 2]"
1 39 PRO 0.104 0.070 18 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 14 ASN H 1 16 CYS H . . 4.710 4.459 4.263 4.638 . 0 0 "[ . 1 . 2]" 2
2 1 16 CYS H 1 33 HIS HD2 . . 4.930 4.784 4.608 4.914 . 0 0 "[ . 1 . 2]" 2
3 1 16 CYS H 1 17 GLY HA2 . . 4.260 4.172 4.149 4.254 . 0 0 "[ . 1 . 2]" 2
4 1 13 CYS HB3 1 16 CYS H . . 3.550 2.642 2.596 2.737 . 0 0 "[ . 1 . 2]" 2
5 1 15 GLU HG2 1 16 CYS H . . 5.500 4.800 4.555 5.089 . 0 0 "[ . 1 . 2]" 2
6 1 15 GLU HB3 1 16 CYS H . . 3.330 3.297 3.246 3.335 0.005 7 0 "[ . 1 . 2]" 2
7 1 13 CYS H 1 16 CYS H . . 5.500 5.296 5.183 5.422 . 0 0 "[ . 1 . 2]" 2
8 1 13 CYS HB3 1 14 ASN H . . 4.530 3.920 3.750 4.088 . 0 0 "[ . 1 . 2]" 2
9 1 14 ASN H 1 17 GLY H . . 5.500 4.777 4.597 4.867 . 0 0 "[ . 1 . 2]" 2
10 1 13 CYS HA 1 14 ASN H . . 2.900 2.169 2.140 2.222 . 0 0 "[ . 1 . 2]" 2
11 1 14 ASN H 1 14 ASN HB2 . . 3.650 2.414 2.216 2.691 . 0 0 "[ . 1 . 2]" 2
12 1 14 ASN H 1 15 GLU HB2 . . 4.880 4.292 4.148 4.444 . 0 0 "[ . 1 . 2]" 2
13 1 12 VAL MG1 1 14 ASN H . . 4.860 4.635 4.431 4.837 . 0 0 "[ . 1 . 2]" 2
14 1 26 LEU H 1 29 HIS HB3 . . 5.320 5.088 5.022 5.175 . 0 0 "[ . 1 . 2]" 2
15 1 20 PHE HB2 1 26 LEU H . . 4.100 3.159 2.998 3.252 . 0 0 "[ . 1 . 2]" 2
16 1 24 SER H 1 26 LEU H . . 4.530 4.442 4.291 4.539 0.009 17 0 "[ . 1 . 2]" 2
17 1 26 LEU H 1 27 ILE H . . 3.130 2.494 2.406 2.551 . 0 0 "[ . 1 . 2]" 2
18 1 22 LEU H 1 26 LEU H . . 5.180 4.938 4.831 5.016 . 0 0 "[ . 1 . 2]" 2
19 1 20 PHE QD 1 26 LEU H . . 4.220 4.128 4.040 4.195 . 0 0 "[ . 1 . 2]" 2
20 1 25 GLN H 1 26 LEU H . . 3.050 2.833 2.797 2.858 . 0 0 "[ . 1 . 2]" 2
21 1 26 LEU H 1 27 ILE HA . . 5.170 5.112 5.044 5.158 . 0 0 "[ . 1 . 2]" 2
22 1 23 LYS HA 1 26 LEU H . . 3.720 3.602 3.540 3.642 . 0 0 "[ . 1 . 2]" 2
23 1 25 GLN HB2 1 26 LEU H . . 3.360 2.645 2.563 2.759 . 0 0 "[ . 1 . 2]" 2
24 1 26 LEU H 1 26 LEU HB3 . . 2.960 2.320 2.275 2.343 . 0 0 "[ . 1 . 2]" 2
25 1 26 LEU H 1 26 LEU HB2 . . 3.160 2.770 2.727 2.861 . 0 0 "[ . 1 . 2]" 2
26 1 26 LEU H 1 26 LEU MD2 . . 4.210 4.138 4.078 4.177 . 0 0 "[ . 1 . 2]" 2
27 1 26 LEU H 1 27 ILE MD . . 5.470 5.039 4.936 5.113 . 0 0 "[ . 1 . 2]" 2
28 1 26 LEU H 1 28 ILE MD . . 5.500 4.881 4.785 4.964 . 0 0 "[ . 1 . 2]" 2
29 1 15 GLU H 1 17 GLY H . . 3.810 3.412 3.082 3.571 . 0 0 "[ . 1 . 2]" 2
30 1 17 GLY H 1 17 GLY HA2 . . 2.840 2.442 2.411 2.467 . 0 0 "[ . 1 . 2]" 2
31 1 15 GLU HB2 1 17 GLY H . . 4.440 4.405 4.312 4.451 0.011 12 0 "[ . 1 . 2]" 2
32 1 15 GLU HB3 1 17 GLY H . . 5.330 5.260 5.195 5.291 . 0 0 "[ . 1 . 2]" 2
33 1 12 VAL H 1 13 CYS H . . 4.490 4.452 4.373 4.526 0.036 7 0 "[ . 1 . 2]" 2
34 1 13 CYS H 1 17 GLY HA2 . . 4.770 3.718 3.593 3.892 . 0 0 "[ . 1 . 2]" 2
35 1 13 CYS H 1 14 ASN H . . 4.810 4.554 4.471 4.613 . 0 0 "[ . 1 . 2]" 2
36 1 13 CYS H 1 17 GLY H . . 4.220 3.992 3.857 4.135 . 0 0 "[ . 1 . 2]" 2
37 1 13 CYS H 1 29 HIS HD2 . . 5.270 5.122 4.995 5.217 . 0 0 "[ . 1 . 2]" 2
38 1 13 CYS H 1 20 PHE QE . . 4.190 3.273 3.108 3.462 . 0 0 "[ . 1 . 2]" 2
39 1 13 CYS H 1 19 ALA HA . . 3.520 3.323 3.255 3.426 . 0 0 "[ . 1 . 2]" 2
40 1 12 VAL HA 1 13 CYS H . . 2.650 2.178 2.147 2.219 . 0 0 "[ . 1 . 2]" 2
41 1 13 CYS H 1 13 CYS HB3 . . 3.060 2.792 2.745 2.852 . 0 0 "[ . 1 . 2]" 2
42 1 13 CYS H 1 13 CYS HB2 . . 3.100 2.325 2.243 2.381 . 0 0 "[ . 1 . 2]" 2
43 1 12 VAL HB 1 13 CYS H . . 4.280 4.084 3.907 4.207 . 0 0 "[ . 1 . 2]" 2
44 1 13 CYS H 1 18 LYS HB3 . . 4.140 3.855 3.773 3.912 . 0 0 "[ . 1 . 2]" 2
45 1 36 GLU H 1 36 GLU HG2 . . 5.160 3.759 1.907 5.165 0.005 6 0 "[ . 1 . 2]" 2
46 1 36 GLU H 1 36 GLU HG3 . . 5.160 3.829 1.961 4.949 . 0 0 "[ . 1 . 2]" 2
47 1 15 GLU H 1 33 HIS HD2 . . 4.640 4.519 4.338 4.642 0.002 13 0 "[ . 1 . 2]" 2
48 1 14 ASN H 1 15 GLU H . . 3.410 2.438 2.227 2.587 . 0 0 "[ . 1 . 2]" 2
49 1 29 HIS H 1 30 GLU H . . 3.260 2.659 2.600 2.704 . 0 0 "[ . 1 . 2]" 2
50 1 15 GLU H 1 16 CYS H . . 2.930 2.309 2.084 2.384 . 0 0 "[ . 1 . 2]" 2
51 1 27 ILE H 1 29 HIS H . . 4.480 4.072 3.996 4.143 . 0 0 "[ . 1 . 2]" 2
52 1 28 ILE H 1 29 HIS H . . 3.140 2.537 2.411 2.597 . 0 0 "[ . 1 . 2]" 2
53 1 25 GLN HA 1 29 HIS H . . 5.010 4.668 4.609 4.787 . 0 0 "[ . 1 . 2]" 2
54 1 27 ILE HA 1 29 HIS H . . 4.380 4.309 4.229 4.377 . 0 0 "[ . 1 . 2]" 2
55 1 13 CYS HB3 1 15 GLU H . . 4.290 3.206 2.962 3.335 . 0 0 "[ . 1 . 2]" 2
56 1 26 LEU HA 1 29 HIS H . . 3.580 3.224 3.166 3.258 . 0 0 "[ . 1 . 2]" 2
57 1 29 HIS H 1 29 HIS HB3 . . 2.900 2.363 2.324 2.416 . 0 0 "[ . 1 . 2]" 2
58 1 29 HIS H 1 29 HIS HB2 . . 2.990 2.745 2.673 2.803 . 0 0 "[ . 1 . 2]" 2
59 1 15 GLU H 1 15 GLU HG2 . . 4.480 3.662 2.960 4.311 . 0 0 "[ . 1 . 2]" 2
60 1 28 ILE HB 1 29 HIS H . . 3.110 2.808 2.733 2.889 . 0 0 "[ . 1 . 2]" 2
61 1 15 GLU H 1 15 GLU HB2 . . 3.030 2.310 2.268 2.414 . 0 0 "[ . 1 . 2]" 2
62 1 26 LEU MD1 1 29 HIS H . . 4.570 4.395 4.267 4.501 . 0 0 "[ . 1 . 2]" 2
63 1 28 ILE MG 1 29 HIS H . . 3.760 3.654 3.549 3.750 . 0 0 "[ . 1 . 2]" 2
64 1 20 PHE HZ 1 29 HIS H . . 5.390 5.197 5.058 5.313 . 0 0 "[ . 1 . 2]" 2
65 1 29 HIS H 1 30 GLU HB2 . . 4.910 4.770 4.642 4.818 . 0 0 "[ . 1 . 2]" 2
66 1 26 LEU HB2 1 29 HIS H . . 5.500 5.463 5.423 5.501 0.001 1 0 "[ . 1 . 2]" 2
67 1 25 GLN HB3 1 25 GLN HE22 . . 5.040 4.738 4.683 4.771 . 0 0 "[ . 1 . 2]" 2
68 1 25 GLN HE21 1 25 GLN HG2 . . 3.450 2.237 2.127 2.387 . 0 0 "[ . 1 . 2]" 2
69 1 25 GLN HB3 1 25 GLN HE21 . . 4.760 4.458 4.390 4.498 . 0 0 "[ . 1 . 2]" 2
70 1 22 LEU HB3 1 25 GLN HE22 . . 5.500 5.488 5.411 5.509 0.009 16 0 "[ . 1 . 2]" 2
71 1 22 LEU HB2 1 25 GLN HE21 . . 4.960 3.682 3.491 3.857 . 0 0 "[ . 1 . 2]" 2
72 1 25 GLN HE22 1 25 GLN HG2 . . 3.710 3.483 3.440 3.543 . 0 0 "[ . 1 . 2]" 2
73 1 22 LEU MD1 1 25 GLN HE21 . . 4.100 2.362 2.084 2.736 . 0 0 "[ . 1 . 2]" 2
74 1 22 LEU HB3 1 24 SER H . . 3.590 3.489 3.371 3.592 0.002 17 0 "[ . 1 . 2]" 2
75 1 23 LYS HB2 1 24 SER H . . 3.770 3.504 3.459 3.593 . 0 0 "[ . 1 . 2]" 2
76 1 22 LEU MD2 1 24 SER H . . 4.820 3.897 3.795 3.976 . 0 0 "[ . 1 . 2]" 2
77 1 25 GLN HA 1 25 GLN HE21 . . 4.680 3.878 3.460 4.241 . 0 0 "[ . 1 . 2]" 2
78 1 10 PRO HG3 1 11 TYR H . . 4.460 3.720 3.583 3.905 . 0 0 "[ . 1 . 2]" 2
79 1 11 TYR H 1 12 VAL MG2 . . 4.380 4.167 4.029 4.347 . 0 0 "[ . 1 . 2]" 2
80 1 11 TYR H 1 20 PHE H . . 3.860 3.768 3.609 3.856 . 0 0 "[ . 1 . 2]" 2
81 1 11 TYR H 1 12 VAL H . . 4.410 4.241 4.099 4.314 . 0 0 "[ . 1 . 2]" 2
82 1 11 TYR H 1 11 TYR QD . . 3.230 1.963 1.893 2.016 . 0 0 "[ . 1 . 2]" 2
83 1 10 PRO HD2 1 11 TYR H . . 3.520 2.672 2.648 2.729 . 0 0 "[ . 1 . 2]" 2
84 1 11 TYR H 1 11 TYR HB3 . . 3.630 3.602 3.588 3.617 . 0 0 "[ . 1 . 2]" 2
85 1 11 TYR H 1 11 TYR HB2 . . 3.110 2.630 2.600 2.668 . 0 0 "[ . 1 . 2]" 2
86 1 11 TYR H 1 20 PHE HB2 . . 4.920 4.849 4.758 4.926 0.006 7 0 "[ . 1 . 2]" 2
87 1 10 PRO HG2 1 11 TYR H . . 3.740 2.152 1.969 2.402 . 0 0 "[ . 1 . 2]" 2
88 1 9 LYS HB3 1 11 TYR H . . 4.490 3.950 3.560 4.217 . 0 0 "[ . 1 . 2]" 2
89 1 10 PRO HB2 1 11 TYR H . . 3.620 3.143 2.958 3.360 . 0 0 "[ . 1 . 2]" 2
90 1 11 TYR H 1 26 LEU MD2 . . 4.940 4.817 4.735 4.933 . 0 0 "[ . 1 . 2]" 2
91 1 25 GLN H 1 26 LEU HA . . 5.500 5.415 5.389 5.433 . 0 0 "[ . 1 . 2]" 2
92 1 25 GLN H 1 25 GLN HE21 . . 4.860 4.003 3.655 4.422 . 0 0 "[ . 1 . 2]" 2
93 1 23 LYS HA 1 25 GLN H . . 4.430 4.288 4.156 4.392 . 0 0 "[ . 1 . 2]" 2
94 1 25 GLN H 1 25 GLN HB3 . . 3.690 3.586 3.573 3.592 . 0 0 "[ . 1 . 2]" 2
95 1 22 LEU HB2 1 25 GLN H . . 3.560 3.414 3.365 3.466 . 0 0 "[ . 1 . 2]" 2
96 1 24 SER H 1 25 GLN H . . 3.610 2.887 2.846 2.928 . 0 0 "[ . 1 . 2]" 2
97 1 25 GLN H 1 27 ILE H . . 4.320 4.207 4.122 4.325 0.005 2 0 "[ . 1 . 2]" 2
98 1 23 LYS H 1 24 SER QB . . 5.150 4.514 4.331 4.797 . 0 0 "[ . 1 . 2]" 2
99 1 20 PHE HB3 1 25 GLN H . . 4.600 4.521 4.399 4.599 . 0 0 "[ . 1 . 2]" 2
100 1 20 PHE HB2 1 25 GLN H . . 5.390 4.950 4.801 5.015 . 0 0 "[ . 1 . 2]" 2
101 1 25 GLN H 1 25 GLN HB2 . . 3.180 2.450 2.377 2.501 . 0 0 "[ . 1 . 2]" 2
102 1 25 GLN H 1 25 GLN HG2 . . 3.400 2.302 2.222 2.430 . 0 0 "[ . 1 . 2]" 2
103 1 22 LEU HB3 1 25 GLN H . . 3.330 2.602 2.553 2.632 . 0 0 "[ . 1 . 2]" 2
104 1 22 LEU HB3 1 23 LYS H . . 3.550 2.686 2.548 2.892 . 0 0 "[ . 1 . 2]" 2
105 1 22 LEU MD2 1 25 GLN H . . 4.360 4.362 4.337 4.372 0.012 19 0 "[ . 1 . 2]" 2
106 1 22 LEU MD1 1 25 GLN H . . 4.030 3.898 3.795 4.046 0.016 17 0 "[ . 1 . 2]" 2
107 1 32 ILE HG13 1 34 THR H . . 4.880 4.710 4.595 4.882 0.002 10 0 "[ . 1 . 2]" 2
108 1 30 GLU HA 1 34 THR H . . 5.090 4.511 4.265 4.667 . 0 0 "[ . 1 . 2]" 2
109 1 23 LYS H 1 23 LYS HB2 . . 3.130 2.485 2.374 2.687 . 0 0 "[ . 1 . 2]" 2
110 1 23 LYS H 1 23 LYS HG3 . . 4.640 4.422 4.342 4.546 . 0 0 "[ . 1 . 2]" 2
111 1 23 LYS H 1 23 LYS HB3 . . 3.120 2.593 2.395 2.684 . 0 0 "[ . 1 . 2]" 2
112 1 25 GLN H 1 28 ILE MD . . 4.710 3.954 3.818 4.070 . 0 0 "[ . 1 . 2]" 2
113 1 34 THR H 1 35 GLY H . . 3.610 2.935 2.875 3.027 . 0 0 "[ . 1 . 2]" 2
114 1 32 ILE H 1 34 THR H . . 4.360 4.240 4.041 4.360 0.000 13 0 "[ . 1 . 2]" 2
115 1 23 LYS H 1 25 GLN H . . 4.870 3.892 3.784 4.088 . 0 0 "[ . 1 . 2]" 2
116 1 31 ARG HA 1 34 THR H . . 3.960 3.196 3.018 3.273 . 0 0 "[ . 1 . 2]" 2
117 1 32 ILE HA 1 34 THR H . . 5.260 4.862 4.765 4.971 . 0 0 "[ . 1 . 2]" 2
118 1 33 HIS HB2 1 34 THR H . . 3.680 2.512 2.428 2.632 . 0 0 "[ . 1 . 2]" 2
119 1 31 ARG HB3 1 34 THR H . . 5.330 5.249 5.016 5.337 0.007 16 0 "[ . 1 . 2]" 2
120 1 34 THR H 1 34 THR MG . . 3.400 1.999 1.897 2.118 . 0 0 "[ . 1 . 2]" 2
121 1 33 HIS HD2 1 34 THR H . . 4.980 4.469 4.333 4.654 . 0 0 "[ . 1 . 2]" 2
122 1 34 THR MG 1 35 GLY H . . 4.860 3.822 3.726 3.929 . 0 0 "[ . 1 . 2]" 2
123 1 34 THR HB 1 35 GLY H . . 4.290 3.832 3.669 4.032 . 0 0 "[ . 1 . 2]" 2
124 1 37 SER QB 1 38 GLY H . . 5.090 3.255 2.080 4.059 . 0 0 "[ . 1 . 2]" 2
125 1 25 GLN HB2 1 27 ILE H . . 5.400 5.003 4.935 5.089 . 0 0 "[ . 1 . 2]" 2
126 1 24 SER HA 1 27 ILE H . . 3.660 3.182 3.072 3.313 . 0 0 "[ . 1 . 2]" 2
127 1 26 LEU HB3 1 27 ILE H . . 3.380 2.640 2.539 2.741 . 0 0 "[ . 1 . 2]" 2
128 1 27 ILE H 1 27 ILE HB . . 2.920 2.730 2.675 2.822 . 0 0 "[ . 1 . 2]" 2
129 1 27 ILE H 1 27 ILE HG12 . . 3.370 2.849 2.569 3.065 . 0 0 "[ . 1 . 2]" 2
130 1 27 ILE H 1 27 ILE HG13 . . 3.370 1.887 1.871 1.902 . 0 0 "[ . 1 . 2]" 2
131 1 25 GLN HA 1 28 ILE H . . 4.660 3.945 3.882 4.024 . 0 0 "[ . 1 . 2]" 2
132 1 26 LEU HA 1 28 ILE H . . 4.760 4.293 4.088 4.378 . 0 0 "[ . 1 . 2]" 2
133 1 28 ILE H 1 29 HIS HB3 . . 5.090 4.641 4.527 4.734 . 0 0 "[ . 1 . 2]" 2
134 1 28 ILE H 1 31 ARG HD2 . . 5.500 4.872 4.703 5.485 . 0 0 "[ . 1 . 2]" 2
135 1 28 ILE H 1 29 HIS HB2 . . 5.500 5.085 4.941 5.153 . 0 0 "[ . 1 . 2]" 2
136 1 28 ILE H 1 30 GLU HG3 . . 5.500 5.429 5.286 5.506 0.006 9 0 "[ . 1 . 2]" 2
137 1 28 ILE H 1 28 ILE HG13 . . 2.760 2.130 2.042 2.153 . 0 0 "[ . 1 . 2]" 2
138 1 27 ILE MG 1 28 ILE H . . 4.020 3.645 3.513 3.831 . 0 0 "[ . 1 . 2]" 2
139 1 28 ILE H 1 28 ILE MG . . 4.390 3.770 3.765 3.782 . 0 0 "[ . 1 . 2]" 2
140 1 28 ILE H 1 30 GLU H . . 4.530 4.368 4.272 4.436 . 0 0 "[ . 1 . 2]" 2
141 1 27 ILE H 1 28 ILE H . . 3.350 2.808 2.691 2.890 . 0 0 "[ . 1 . 2]" 2
142 1 10 PRO HD2 1 20 PHE H . . 4.970 4.949 4.865 4.993 0.023 19 0 "[ . 1 . 2]" 2
143 1 9 LYS HB3 1 20 PHE H . . 4.100 2.536 2.456 2.610 . 0 0 "[ . 1 . 2]" 2
144 1 13 CYS H 1 20 PHE H . . 5.260 4.994 4.834 5.180 . 0 0 "[ . 1 . 2]" 2
145 1 12 VAL H 1 20 PHE H . . 5.140 4.822 4.768 4.887 . 0 0 "[ . 1 . 2]" 2
146 1 20 PHE H 1 20 PHE QD . . 3.160 2.579 2.461 2.716 . 0 0 "[ . 1 . 2]" 2
147 1 11 TYR QD 1 20 PHE H . . 4.380 4.185 3.990 4.250 . 0 0 "[ . 1 . 2]" 2
148 1 20 PHE H 1 20 PHE QE . . 4.980 4.669 4.579 4.748 . 0 0 "[ . 1 . 2]" 2
149 1 19 ALA HA 1 20 PHE H . . 2.770 2.243 2.211 2.280 . 0 0 "[ . 1 . 2]" 2
150 1 12 VAL HA 1 20 PHE H . . 3.740 3.521 3.442 3.586 . 0 0 "[ . 1 . 2]" 2
151 1 20 PHE H 1 20 PHE HB3 . . 3.960 3.878 3.849 3.917 . 0 0 "[ . 1 . 2]" 2
152 1 11 TYR HB3 1 20 PHE H . . 4.270 4.196 4.107 4.312 0.042 17 0 "[ . 1 . 2]" 2
153 1 11 TYR HB2 1 20 PHE H . . 3.930 2.850 2.791 2.939 . 0 0 "[ . 1 . 2]" 2
154 1 20 PHE H 1 20 PHE HB2 . . 3.340 2.831 2.779 2.903 . 0 0 "[ . 1 . 2]" 2
155 1 20 PHE H 1 26 LEU HB3 . . 5.500 5.491 5.445 5.530 0.030 19 0 "[ . 1 . 2]" 2
156 1 9 LYS HB2 1 20 PHE H . . 4.320 3.970 3.350 4.144 . 0 0 "[ . 1 . 2]" 2
157 1 9 LYS HD2 1 20 PHE H . . 4.890 4.361 3.828 4.897 0.007 9 0 "[ . 1 . 2]" 2
158 1 19 ALA MB 1 20 PHE H . . 3.200 2.803 2.679 2.929 . 0 0 "[ . 1 . 2]" 2
159 1 20 PHE H 1 26 LEU MD1 . . 4.410 4.208 4.045 4.408 . 0 0 "[ . 1 . 2]" 2
160 1 31 ARG HB3 1 33 HIS H . . 5.470 5.324 5.157 5.472 0.002 2 0 "[ . 1 . 2]" 2
161 1 31 ARG HA 1 33 HIS H . . 4.030 3.890 3.712 4.034 0.004 11 0 "[ . 1 . 2]" 2
162 1 31 ARG HB2 1 33 HIS H . . 5.290 5.044 4.920 5.163 . 0 0 "[ . 1 . 2]" 2
163 1 22 LEU H 1 23 LYS H . . 4.600 4.501 4.484 4.519 . 0 0 "[ . 1 . 2]" 2
164 1 33 HIS H 1 34 THR H . . 3.090 2.334 2.198 2.399 . 0 0 "[ . 1 . 2]" 2
165 1 33 HIS H 1 33 HIS HD2 . . 3.820 3.257 3.101 3.437 . 0 0 "[ . 1 . 2]" 2
166 1 33 HIS H 1 33 HIS HB2 . . 3.030 2.590 2.553 2.617 . 0 0 "[ . 1 . 2]" 2
167 1 11 TYR HB2 1 22 LEU H . . 4.810 4.365 4.275 4.444 . 0 0 "[ . 1 . 2]" 2
168 1 32 ILE HG12 1 33 HIS H . . 3.950 2.647 2.533 2.862 . 0 0 "[ . 1 . 2]" 2
169 1 32 ILE HG13 1 33 HIS H . . 3.960 2.466 2.282 2.760 . 0 0 "[ . 1 . 2]" 2
170 1 32 ILE MG 1 33 HIS H . . 3.990 3.815 3.777 3.936 . 0 0 "[ . 1 . 2]" 2
171 1 21 GLY H 1 22 LEU H . . 3.740 2.852 2.782 2.922 . 0 0 "[ . 1 . 2]" 2
172 1 11 TYR QD 1 22 LEU H . . 3.970 3.857 3.764 3.910 . 0 0 "[ . 1 . 2]" 2
173 1 22 LEU H 1 25 GLN H . . 4.690 4.687 4.631 4.709 0.019 10 0 "[ . 1 . 2]" 2
174 1 20 PHE HA 1 22 LEU H . . 4.050 3.521 3.486 3.556 . 0 0 "[ . 1 . 2]" 2
175 1 33 HIS H 1 34 THR HA . . 5.000 4.943 4.824 4.999 . 0 0 "[ . 1 . 2]" 2
176 1 21 GLY HA3 1 22 LEU H . . 3.500 3.068 3.026 3.116 . 0 0 "[ . 1 . 2]" 2
177 1 20 PHE HB3 1 22 LEU H . . 3.300 2.803 2.701 2.900 . 0 0 "[ . 1 . 2]" 2
178 1 22 LEU H 1 23 LYS HA . . 5.240 5.144 5.087 5.193 . 0 0 "[ . 1 . 2]" 2
179 1 20 PHE HB2 1 22 LEU H . . 3.640 3.437 3.331 3.527 . 0 0 "[ . 1 . 2]" 2
180 1 22 LEU H 1 25 GLN HB2 . . 3.450 2.975 2.915 3.031 . 0 0 "[ . 1 . 2]" 2
181 1 22 LEU H 1 25 GLN HB3 . . 4.230 4.076 3.920 4.165 . 0 0 "[ . 1 . 2]" 2
182 1 22 LEU H 1 22 LEU HB2 . . 3.210 2.385 2.340 2.432 . 0 0 "[ . 1 . 2]" 2
183 1 33 HIS H 1 34 THR MG . . 4.320 3.555 3.372 3.685 . 0 0 "[ . 1 . 2]" 2
184 1 11 TYR QE 1 22 LEU H . . 4.930 4.842 4.774 4.923 . 0 0 "[ . 1 . 2]" 2
185 1 12 VAL H 1 19 ALA HA . . 4.660 4.490 4.415 4.578 . 0 0 "[ . 1 . 2]" 2
186 1 32 ILE H 1 33 HIS HB2 . . 5.240 5.069 4.968 5.206 . 0 0 "[ . 1 . 2]" 2
187 1 30 GLU H 1 32 ILE H . . 4.600 4.508 4.418 4.584 . 0 0 "[ . 1 . 2]" 2
188 1 32 ILE H 1 33 HIS H . . 3.040 2.663 2.581 2.774 . 0 0 "[ . 1 . 2]" 2
189 1 11 TYR QD 1 12 VAL H . . 4.890 4.836 4.778 4.944 0.054 7 0 "[ . 1 . 2]" 2
190 1 11 TYR HA 1 12 VAL H . . 2.610 2.198 2.169 2.254 . 0 0 "[ . 1 . 2]" 2
191 1 11 TYR HB3 1 12 VAL H . . 4.050 3.896 3.794 4.049 . 0 0 "[ . 1 . 2]" 2
192 1 12 VAL H 1 12 VAL HB . . 2.970 2.584 2.537 2.640 . 0 0 "[ . 1 . 2]" 2
193 1 31 ARG HB2 1 32 ILE H . . 3.870 2.854 2.725 2.995 . 0 0 "[ . 1 . 2]" 2
194 1 32 ILE H 1 32 ILE HB . . 3.660 3.604 3.592 3.615 . 0 0 "[ . 1 . 2]" 2
195 1 12 VAL H 1 26 LEU MD2 . . 3.740 3.232 3.114 3.327 . 0 0 "[ . 1 . 2]" 2
196 1 32 ILE H 1 32 ILE HG12 . . 3.390 2.384 2.250 2.510 . 0 0 "[ . 1 . 2]" 2
197 1 12 VAL H 1 12 VAL MG2 . . 3.110 2.641 2.377 2.816 . 0 0 "[ . 1 . 2]" 2
198 1 32 ILE H 1 32 ILE HG13 . . 3.560 3.442 3.359 3.557 . 0 0 "[ . 1 . 2]" 2
199 1 30 GLU H 1 31 ARG H . . 3.230 2.781 2.755 2.809 . 0 0 "[ . 1 . 2]" 2
200 1 31 ARG H 1 32 ILE H . . 3.200 2.696 2.624 2.739 . 0 0 "[ . 1 . 2]" 2
201 1 29 HIS H 1 31 ARG H . . 4.520 3.848 3.805 3.886 . 0 0 "[ . 1 . 2]" 2
202 1 30 GLU HG3 1 31 ARG H . . 4.540 4.397 4.345 4.457 . 0 0 "[ . 1 . 2]" 2
203 1 30 GLU HB2 1 31 ARG H . . 3.700 3.120 3.032 3.189 . 0 0 "[ . 1 . 2]" 2
204 1 31 ARG HB3 1 32 ILE H . . 4.080 3.816 3.692 3.924 . 0 0 "[ . 1 . 2]" 2
205 1 31 ARG H 1 31 ARG HB2 . . 3.030 2.495 2.454 2.547 . 0 0 "[ . 1 . 2]" 2
206 1 28 ILE MG 1 31 ARG H . . 4.610 4.515 4.432 4.611 0.001 20 0 "[ . 1 . 2]" 2
207 1 31 ARG H 1 32 ILE MG . . 4.500 3.834 3.684 4.017 . 0 0 "[ . 1 . 2]" 2
208 1 31 ARG H 1 32 ILE HA . . 5.300 5.272 5.201 5.316 0.016 10 0 "[ . 1 . 2]" 2
209 1 28 ILE HA 1 31 ARG H . . 4.210 3.824 3.751 3.870 . 0 0 "[ . 1 . 2]" 2
210 1 31 ARG H 1 31 ARG HD3 . . 4.920 4.002 3.825 4.165 . 0 0 "[ . 1 . 2]" 2
211 1 30 GLU HG2 1 31 ARG H . . 5.330 5.217 5.157 5.282 . 0 0 "[ . 1 . 2]" 2
212 1 31 ARG H 1 31 ARG HG3 . . 2.780 2.188 2.100 2.263 . 0 0 "[ . 1 . 2]" 2
213 1 31 ARG H 1 31 ARG HG2 . . 3.460 3.395 3.178 3.461 0.001 19 0 "[ . 1 . 2]" 2
214 1 20 PHE QD 1 21 GLY H . . 4.820 4.709 4.602 4.789 . 0 0 "[ . 1 . 2]" 2
215 1 20 PHE HB3 1 21 GLY H . . 4.360 3.639 3.466 3.776 . 0 0 "[ . 1 . 2]" 2
216 1 20 PHE HB2 1 21 GLY H . . 4.810 4.312 4.238 4.361 . 0 0 "[ . 1 . 2]" 2
217 1 9 LYS HD2 1 21 GLY H . . 5.330 3.948 3.560 4.387 . 0 0 "[ . 1 . 2]" 2
218 1 19 ALA H 1 19 ALA MB . . 2.860 2.271 2.161 2.351 . 0 0 "[ . 1 . 2]" 2
219 1 13 CYS H 1 19 ALA H . . 4.950 4.528 4.494 4.570 . 0 0 "[ . 1 . 2]" 2
220 1 19 ALA H 1 20 PHE H . . 4.590 4.561 4.546 4.571 . 0 0 "[ . 1 . 2]" 2
221 1 12 VAL HA 1 19 ALA H . . 4.470 4.366 4.305 4.452 . 0 0 "[ . 1 . 2]" 2
222 1 13 CYS HB2 1 19 ALA H . . 5.500 5.512 5.502 5.527 0.027 12 0 "[ . 1 . 2]" 2
223 1 18 LYS HG2 1 19 ALA H . . 3.850 3.316 3.127 3.521 . 0 0 "[ . 1 . 2]" 2
224 1 18 LYS HG3 1 19 ALA H . . 3.850 3.232 3.060 3.443 . 0 0 "[ . 1 . 2]" 2
225 1 18 LYS H 1 19 ALA H . . 4.690 4.513 4.488 4.536 . 0 0 "[ . 1 . 2]" 2
226 1 29 HIS HD2 1 30 GLU H . . 3.760 3.370 3.271 3.520 . 0 0 "[ . 1 . 2]" 2
227 1 26 LEU HA 1 30 GLU H . . 3.990 3.815 3.738 3.925 . 0 0 "[ . 1 . 2]" 2
228 1 29 HIS HB3 1 30 GLU H . . 3.350 2.439 2.375 2.500 . 0 0 "[ . 1 . 2]" 2
229 1 30 GLU H 1 30 GLU HG3 . . 3.080 1.989 1.914 2.087 . 0 0 "[ . 1 . 2]" 2
230 1 30 GLU H 1 30 GLU HG2 . . 3.630 3.366 3.268 3.459 . 0 0 "[ . 1 . 2]" 2
231 1 30 GLU H 1 30 GLU HB2 . . 3.120 2.605 2.557 2.644 . 0 0 "[ . 1 . 2]" 2
232 1 30 GLU H 1 31 ARG HG3 . . 4.540 4.246 4.169 4.334 . 0 0 "[ . 1 . 2]" 2
233 1 30 GLU H 1 31 ARG HB2 . . 5.350 5.056 5.013 5.115 . 0 0 "[ . 1 . 2]" 2
234 1 26 LEU HG 1 30 GLU H . . 4.080 3.763 3.650 3.844 . 0 0 "[ . 1 . 2]" 2
235 1 26 LEU MD1 1 30 GLU H . . 3.950 3.404 3.171 3.604 . 0 0 "[ . 1 . 2]" 2
236 1 27 ILE H 1 30 GLU H . . 5.170 4.822 4.795 4.857 . 0 0 "[ . 1 . 2]" 2
237 1 30 GLU H 1 33 HIS HD2 . . 5.050 4.779 4.660 4.901 . 0 0 "[ . 1 . 2]" 2
238 1 15 GLU H 1 18 LYS H . . 5.080 4.883 4.622 4.994 . 0 0 "[ . 1 . 2]" 2
239 1 13 CYS H 1 18 LYS H . . 4.110 3.133 2.938 3.339 . 0 0 "[ . 1 . 2]" 2
240 1 16 CYS HA 1 18 LYS H . . 5.500 5.015 4.896 5.146 . 0 0 "[ . 1 . 2]" 2
241 1 18 LYS H 1 19 ALA HA . . 5.500 5.268 5.214 5.331 . 0 0 "[ . 1 . 2]" 2
242 1 12 VAL HA 1 18 LYS H . . 5.140 4.982 4.841 5.114 . 0 0 "[ . 1 . 2]" 2
243 1 13 CYS HA 1 18 LYS H . . 5.430 4.648 4.521 4.799 . 0 0 "[ . 1 . 2]" 2
244 1 13 CYS HB3 1 18 LYS H . . 3.190 1.939 1.897 2.052 . 0 0 "[ . 1 . 2]" 2
245 1 13 CYS HB2 1 18 LYS H . . 3.560 2.790 2.652 2.913 . 0 0 "[ . 1 . 2]" 2
246 1 18 LYS H 1 18 LYS HD2 . . 5.020 4.661 4.397 4.806 . 0 0 "[ . 1 . 2]" 2
247 1 18 LYS H 1 18 LYS HB2 . . 2.940 2.355 2.279 2.463 . 0 0 "[ . 1 . 2]" 2
248 1 18 LYS H 1 18 LYS HB3 . . 3.290 2.825 2.745 2.869 . 0 0 "[ . 1 . 2]" 2
249 1 12 VAL MG1 1 18 LYS H . . 4.330 3.767 3.487 3.874 . 0 0 "[ . 1 . 2]" 2
250 1 13 CYS HA 1 15 GLU H . . 4.020 3.558 3.416 3.687 . 0 0 "[ . 1 . 2]" 2
251 1 22 LEU MD1 1 23 LYS H . . 4.640 4.331 4.230 4.527 . 0 0 "[ . 1 . 2]" 2
252 1 22 LEU H 1 22 LEU MD1 . . 4.370 4.216 4.176 4.288 . 0 0 "[ . 1 . 2]" 2
253 1 22 LEU MD1 1 25 GLN HE22 . . 4.040 3.801 3.649 3.968 . 0 0 "[ . 1 . 2]" 2
254 1 20 PHE QE 1 29 HIS HE1 . . 5.200 4.876 4.777 4.984 . 0 0 "[ . 1 . 2]" 2
255 1 22 LEU MD1 1 25 GLN HA . . 5.130 4.954 4.873 5.074 . 0 0 "[ . 1 . 2]" 2
256 1 22 LEU MD1 1 25 GLN HG3 . . 3.480 2.910 2.787 3.028 . 0 0 "[ . 1 . 2]" 2
257 1 22 LEU HB3 1 22 LEU MD1 . . 3.030 2.382 2.293 2.441 . 0 0 "[ . 1 . 2]" 2
258 1 18 LYS HD2 1 29 HIS HE1 . . 3.890 3.019 2.600 3.453 . 0 0 "[ . 1 . 2]" 2
259 1 22 LEU HB2 1 22 LEU MD1 . . 3.040 2.270 2.216 2.381 . 0 0 "[ . 1 . 2]" 2
260 1 18 LYS HB3 1 29 HIS HE1 . . 4.470 4.422 4.268 4.479 0.009 2 0 "[ . 1 . 2]" 2
261 1 29 HIS HE1 1 32 ILE HG12 . . 4.760 4.527 4.458 4.631 . 0 0 "[ . 1 . 2]" 2
262 1 29 HIS HE1 1 32 ILE MG . . 3.960 3.823 3.697 3.962 0.002 5 0 "[ . 1 . 2]" 2
263 1 23 LYS HG3 1 24 SER H . . 5.230 4.361 4.114 4.460 . 0 0 "[ . 1 . 2]" 2
264 1 11 TYR QD 1 23 LYS HG2 . . 4.530 4.078 3.932 4.533 0.003 10 0 "[ . 1 . 2]" 2
265 1 11 TYR QE 1 23 LYS HG2 . . 4.470 3.675 3.496 4.103 . 0 0 "[ . 1 . 2]" 2
266 1 9 LYS HG2 1 20 PHE HA . . 4.970 3.629 3.367 3.749 . 0 0 "[ . 1 . 2]" 2
267 1 9 LYS HA 1 9 LYS HG3 . . 3.900 3.101 2.986 3.260 . 0 0 "[ . 1 . 2]" 2
268 1 9 LYS HA 1 9 LYS HG2 . . 3.550 2.544 2.432 2.689 . 0 0 "[ . 1 . 2]" 2
269 1 7 GLY QA 1 9 LYS HG3 . . 5.110 4.365 3.810 5.048 . 0 0 "[ . 1 . 2]" 2
270 1 23 LYS HG3 1 24 SER HA . . 5.250 5.121 4.780 5.214 . 0 0 "[ . 1 . 2]" 2
271 1 9 LYS HG3 1 10 PRO HD2 . . 5.450 4.987 4.843 5.172 . 0 0 "[ . 1 . 2]" 2
272 1 9 LYS HG3 1 10 PRO HD3 . . 5.500 5.356 5.203 5.516 0.016 12 0 "[ . 1 . 2]" 2
273 1 9 LYS HG2 1 10 PRO HD2 . . 4.620 4.112 3.947 4.319 . 0 0 "[ . 1 . 2]" 2
274 1 23 LYS HG3 1 27 ILE MD . . 3.710 3.521 2.951 3.712 0.002 5 0 "[ . 1 . 2]" 2
275 1 23 LYS HG2 1 24 SER H . . 4.480 3.335 2.824 3.531 . 0 0 "[ . 1 . 2]" 2
276 1 23 LYS HG2 1 26 LEU HB3 . . 5.070 4.787 4.690 4.853 . 0 0 "[ . 1 . 2]" 2
277 1 23 LYS HG3 1 26 LEU HB3 . . 4.900 4.494 4.120 4.683 . 0 0 "[ . 1 . 2]" 2
278 1 34 THR H 1 34 THR HB . . 3.920 3.621 3.611 3.638 . 0 0 "[ . 1 . 2]" 2
279 1 13 CYS H 1 17 GLY HA3 . . 5.490 5.126 4.986 5.304 . 0 0 "[ . 1 . 2]" 2
280 1 22 LEU MD2 1 23 LYS H . . 3.710 2.534 2.486 2.672 . 0 0 "[ . 1 . 2]" 2
281 1 22 LEU H 1 22 LEU MD2 . . 4.280 4.189 4.148 4.224 . 0 0 "[ . 1 . 2]" 2
282 1 11 TYR QD 1 22 LEU MD2 . . 5.300 5.053 4.971 5.098 . 0 0 "[ . 1 . 2]" 2
283 1 11 TYR QE 1 22 LEU MD2 . . 4.350 3.997 3.879 4.069 . 0 0 "[ . 1 . 2]" 2
284 1 16 CYS HA 1 17 GLY HA3 . . 4.620 4.523 4.517 4.529 . 0 0 "[ . 1 . 2]" 2
285 1 16 CYS HA 1 17 GLY HA2 . . 5.250 5.116 5.100 5.134 . 0 0 "[ . 1 . 2]" 2
286 1 20 PHE HA 1 21 GLY HA3 . . 4.520 4.379 4.377 4.382 . 0 0 "[ . 1 . 2]" 2
287 1 9 LYS HA 1 21 GLY HA2 . . 3.460 2.066 1.995 2.242 . 0 0 "[ . 1 . 2]" 2
288 1 9 LYS HA 1 21 GLY HA3 . . 3.910 3.639 3.527 3.790 . 0 0 "[ . 1 . 2]" 2
289 1 21 GLY HA2 1 22 LEU MD2 . . 5.500 5.462 5.386 5.499 . 0 0 "[ . 1 . 2]" 2
290 1 22 LEU MD2 1 23 LYS HA . . 5.080 4.959 4.926 5.025 . 0 0 "[ . 1 . 2]" 2
291 1 22 LEU MD2 1 25 GLN HG2 . . 4.350 4.073 4.033 4.122 . 0 0 "[ . 1 . 2]" 2
292 1 21 GLY HA3 1 22 LEU HG . . 4.510 4.315 4.283 4.353 . 0 0 "[ . 1 . 2]" 2
293 1 22 LEU HB3 1 22 LEU MD2 . . 2.890 2.295 2.282 2.315 . 0 0 "[ . 1 . 2]" 2
294 1 9 LYS HB2 1 21 GLY HA2 . . 4.930 4.450 4.131 4.658 . 0 0 "[ . 1 . 2]" 2
295 1 10 PRO HG2 1 21 GLY HA2 . . 5.250 4.439 4.319 4.630 . 0 0 "[ . 1 . 2]" 2
296 1 9 LYS HD3 1 21 GLY HA3 . . 4.950 4.373 3.894 4.926 . 0 0 "[ . 1 . 2]" 2
297 1 21 GLY HA3 1 22 LEU HB2 . . 5.440 4.681 4.658 4.712 . 0 0 "[ . 1 . 2]" 2
298 1 22 LEU HB2 1 22 LEU MD2 . . 3.280 3.190 3.188 3.192 . 0 0 "[ . 1 . 2]" 2
299 1 9 LYS HB3 1 21 GLY HA2 . . 4.620 3.349 2.749 3.582 . 0 0 "[ . 1 . 2]" 2
300 1 9 LYS HG3 1 21 GLY HA2 . . 5.250 3.796 3.650 4.081 . 0 0 "[ . 1 . 2]" 2
301 1 9 LYS HB3 1 21 GLY HA3 . . 5.250 4.487 3.949 4.689 . 0 0 "[ . 1 . 2]" 2
302 1 9 LYS HG3 1 21 GLY HA3 . . 5.500 4.215 4.056 4.402 . 0 0 "[ . 1 . 2]" 2
303 1 9 LYS HG2 1 21 GLY HA2 . . 4.520 2.374 2.167 2.609 . 0 0 "[ . 1 . 2]" 2
304 1 9 LYS HG2 1 21 GLY HA3 . . 4.490 2.696 2.464 2.937 . 0 0 "[ . 1 . 2]" 2
305 1 21 GLY HA3 1 22 LEU MD2 . . 5.360 5.055 4.987 5.089 . 0 0 "[ . 1 . 2]" 2
306 1 11 TYR QD 1 21 GLY HA3 . . 4.960 4.809 4.515 4.962 0.002 10 0 "[ . 1 . 2]" 2
307 1 22 LEU HB2 1 23 LYS H . . 4.300 4.008 3.921 4.134 . 0 0 "[ . 1 . 2]" 2
308 1 22 LEU H 1 22 LEU HB3 . . 3.790 3.544 3.525 3.561 . 0 0 "[ . 1 . 2]" 2
309 1 22 LEU HB2 1 25 GLN HE22 . . 5.490 5.123 4.993 5.229 . 0 0 "[ . 1 . 2]" 2
310 1 22 LEU HB2 1 26 LEU H . . 5.500 5.013 4.965 5.081 . 0 0 "[ . 1 . 2]" 2
311 1 22 LEU HB3 1 26 LEU H . . 4.910 4.725 4.682 4.799 . 0 0 "[ . 1 . 2]" 2
312 1 19 ALA MB 1 20 PHE QE . . 5.220 5.067 4.987 5.157 . 0 0 "[ . 1 . 2]" 2
313 1 22 LEU HB2 1 25 GLN HA . . 4.870 4.787 4.719 4.872 0.002 7 0 "[ . 1 . 2]" 2
314 1 22 LEU HB3 1 24 SER QB . . 4.500 3.915 3.493 4.513 0.013 16 0 "[ . 1 . 2]" 2
315 1 20 PHE HB3 1 22 LEU HB2 . . 5.150 3.962 3.913 4.045 . 0 0 "[ . 1 . 2]" 2
316 1 22 LEU HB2 1 25 GLN HG3 . . 3.490 2.108 2.032 2.236 . 0 0 "[ . 1 . 2]" 2
317 1 22 LEU HB3 1 25 GLN HB3 . . 4.780 4.657 4.598 4.761 . 0 0 "[ . 1 . 2]" 2
318 1 22 LEU HB2 1 25 GLN HB3 . . 4.410 3.813 3.760 3.924 . 0 0 "[ . 1 . 2]" 2
319 1 14 ASN H 1 26 LEU MD1 . . 4.270 3.975 3.836 4.117 . 0 0 "[ . 1 . 2]" 2
320 1 13 CYS H 1 19 ALA MB . . 4.560 4.437 4.362 4.531 . 0 0 "[ . 1 . 2]" 2
321 1 13 CYS H 1 26 LEU MD1 . . 3.610 2.786 2.563 2.974 . 0 0 "[ . 1 . 2]" 2
322 1 12 VAL H 1 19 ALA MB . . 4.920 4.848 4.694 4.934 0.014 4 0 "[ . 1 . 2]" 2
323 1 18 LYS H 1 26 LEU MD1 . . 5.020 4.466 4.341 4.631 . 0 0 "[ . 1 . 2]" 2
324 1 26 LEU MD1 1 27 ILE H . . 5.390 4.483 4.411 4.558 . 0 0 "[ . 1 . 2]" 2
325 1 11 TYR H 1 19 ALA MB . . 4.780 4.684 4.510 4.798 0.018 15 0 "[ . 1 . 2]" 2
326 1 19 ALA MB 1 20 PHE QD . . 4.320 4.236 4.158 4.309 . 0 0 "[ . 1 . 2]" 2
327 1 26 LEU MD1 1 29 HIS HD2 . . 3.040 2.689 2.461 2.865 . 0 0 "[ . 1 . 2]" 2
328 1 20 PHE QE 1 26 LEU MD1 . . 3.280 2.045 1.948 2.143 . 0 0 "[ . 1 . 2]" 2
329 1 20 PHE HZ 1 26 LEU MD1 . . 4.560 3.571 3.350 3.725 . 0 0 "[ . 1 . 2]" 2
330 1 19 ALA HA 1 26 LEU MD1 . . 4.530 3.987 3.761 4.126 . 0 0 "[ . 1 . 2]" 2
331 1 13 CYS HA 1 26 LEU MD1 . . 2.910 2.208 1.967 2.411 . 0 0 "[ . 1 . 2]" 2
332 1 12 VAL HA 1 19 ALA MB . . 3.420 3.199 3.085 3.260 . 0 0 "[ . 1 . 2]" 2
333 1 18 LYS HA 1 19 ALA MB . . 4.080 3.940 3.888 3.985 . 0 0 "[ . 1 . 2]" 2
334 1 26 LEU MD1 1 30 GLU HA . . 4.420 4.189 4.080 4.345 . 0 0 "[ . 1 . 2]" 2
335 1 26 LEU HA 1 26 LEU MD1 . . 2.860 2.298 2.101 2.543 . 0 0 "[ . 1 . 2]" 2
336 1 26 LEU MD1 1 29 HIS HB3 . . 3.650 2.888 2.672 3.055 . 0 0 "[ . 1 . 2]" 2
337 1 9 LYS QE 1 19 ALA MB . . 4.170 3.699 3.543 3.926 . 0 0 "[ . 1 . 2]" 2
338 1 13 CYS HB2 1 26 LEU MD1 . . 3.090 2.291 2.117 2.425 . 0 0 "[ . 1 . 2]" 2
339 1 26 LEU MD1 1 30 GLU HG3 . . 3.130 2.281 2.023 2.505 . 0 0 "[ . 1 . 2]" 2
340 1 19 ALA MB 1 20 PHE HB2 . . 5.270 5.126 5.059 5.178 . 0 0 "[ . 1 . 2]" 2
341 1 26 LEU MD1 1 30 GLU HG2 . . 3.510 2.729 2.422 2.937 . 0 0 "[ . 1 . 2]" 2
342 1 26 LEU HB3 1 26 LEU MD1 . . 3.420 3.174 3.153 3.185 . 0 0 "[ . 1 . 2]" 2
343 1 12 VAL HB 1 19 ALA MB . . 4.880 4.655 4.494 4.773 . 0 0 "[ . 1 . 2]" 2
344 1 9 LYS HB2 1 19 ALA MB . . 3.260 1.914 1.781 1.979 . 0 0 "[ . 1 . 2]" 2
345 1 9 LYS HD2 1 19 ALA MB . . 3.610 2.049 1.957 2.377 . 0 0 "[ . 1 . 2]" 2
346 1 9 LYS HB3 1 19 ALA MB . . 3.080 2.137 1.946 2.782 . 0 0 "[ . 1 . 2]" 2
347 1 12 VAL MG1 1 26 LEU MD1 . . 4.460 4.270 4.096 4.400 . 0 0 "[ . 1 . 2]" 2
348 1 12 VAL H 1 26 LEU MD1 . . 4.940 4.356 4.065 4.642 . 0 0 "[ . 1 . 2]" 2
349 1 38 GLY HA3 1 39 PRO QG . . 5.100 4.193 3.787 4.931 . 0 0 "[ . 1 . 2]" 2
350 1 34 THR HA 1 34 THR MG . . 2.970 2.363 2.327 2.449 . 0 0 "[ . 1 . 2]" 2
351 1 31 ARG HA 1 34 THR MG . . 3.890 1.993 1.958 2.124 . 0 0 "[ . 1 . 2]" 2
352 1 33 HIS HB2 1 34 THR MG . . 4.010 3.499 3.332 3.562 . 0 0 "[ . 1 . 2]" 2
353 1 30 GLU HB3 1 34 THR MG . . 4.460 3.240 2.842 3.539 . 0 0 "[ . 1 . 2]" 2
354 1 31 ARG HB3 1 34 THR MG . . 5.170 4.132 4.007 4.221 . 0 0 "[ . 1 . 2]" 2
355 1 31 ARG HG3 1 34 THR MG . . 5.500 4.106 3.910 4.336 . 0 0 "[ . 1 . 2]" 2
356 1 31 ARG HG2 1 34 THR MG . . 4.690 3.530 3.331 3.763 . 0 0 "[ . 1 . 2]" 2
357 1 12 VAL MG2 1 19 ALA H . . 4.770 4.377 4.228 4.506 . 0 0 "[ . 1 . 2]" 2
358 1 32 ILE HA 1 34 THR MG . . 5.500 5.486 5.364 5.519 0.019 2 0 "[ . 1 . 2]" 2
359 1 12 VAL MG2 1 17 GLY HA2 . . 5.090 4.982 4.929 5.061 . 0 0 "[ . 1 . 2]" 2
360 1 12 VAL MG2 1 13 CYS H . . 4.190 3.962 3.889 4.037 . 0 0 "[ . 1 . 2]" 2
361 1 12 VAL MG2 1 20 PHE H . . 4.120 3.884 3.684 4.015 . 0 0 "[ . 1 . 2]" 2
362 1 12 VAL MG2 1 19 ALA HA . . 3.420 2.812 2.637 2.946 . 0 0 "[ . 1 . 2]" 2
363 1 12 VAL HA 1 12 VAL MG2 . . 2.920 2.385 2.273 2.467 . 0 0 "[ . 1 . 2]" 2
364 1 12 VAL MG2 1 18 LYS HA . . 5.500 5.417 5.271 5.510 0.010 15 0 "[ . 1 . 2]" 2
365 1 11 TYR HB2 1 12 VAL MG2 . . 5.110 4.920 4.764 5.031 . 0 0 "[ . 1 . 2]" 2
366 1 9 LYS HB2 1 12 VAL MG2 . . 4.120 3.983 3.688 4.128 0.008 12 0 "[ . 1 . 2]" 2
367 1 9 LYS HB3 1 12 VAL MG2 . . 4.750 4.084 3.847 4.275 . 0 0 "[ . 1 . 2]" 2
368 1 12 VAL MG2 1 19 ALA MB . . 2.830 2.142 1.938 2.303 . 0 0 "[ . 1 . 2]" 2
369 1 31 ARG H 1 31 ARG HD2 . . 4.970 4.474 4.366 4.686 . 0 0 "[ . 1 . 2]" 2
370 1 12 VAL MG1 1 13 CYS H . . 3.240 2.298 1.928 2.648 . 0 0 "[ . 1 . 2]" 2
371 1 12 VAL MG1 1 20 PHE H . . 5.190 5.145 5.042 5.200 0.010 12 0 "[ . 1 . 2]" 2
372 1 12 VAL H 1 12 VAL MG1 . . 4.060 3.827 3.804 3.853 . 0 0 "[ . 1 . 2]" 2
373 1 12 VAL MG1 1 17 GLY H . . 4.080 4.032 3.907 4.097 0.017 6 0 "[ . 1 . 2]" 2
374 1 12 VAL MG1 1 19 ALA H . . 4.800 4.109 3.945 4.231 . 0 0 "[ . 1 . 2]" 2
375 1 12 VAL MG1 1 20 PHE QD . . 5.210 5.073 4.943 5.160 . 0 0 "[ . 1 . 2]" 2
376 1 12 VAL MG1 1 19 ALA HA . . 3.800 3.400 3.208 3.504 . 0 0 "[ . 1 . 2]" 2
377 1 19 ALA HA 1 20 PHE HB2 . . 4.590 4.601 4.582 4.625 0.035 11 0 "[ . 1 . 2]" 2
378 1 12 VAL HA 1 12 VAL MG1 . . 3.040 2.396 2.305 2.471 . 0 0 "[ . 1 . 2]" 2
379 1 31 ARG HA 1 31 ARG HD2 . . 5.110 4.831 4.737 4.863 . 0 0 "[ . 1 . 2]" 2
380 1 31 ARG HA 1 31 ARG HD3 . . 5.440 4.623 4.548 4.768 . 0 0 "[ . 1 . 2]" 2
381 1 12 VAL MG1 1 17 GLY HA3 . . 3.690 3.660 3.580 3.692 0.002 18 0 "[ . 1 . 2]" 2
382 1 12 VAL MG1 1 18 LYS HA . . 4.500 4.242 4.075 4.396 . 0 0 "[ . 1 . 2]" 2
383 1 12 VAL MG1 1 17 GLY HA2 . . 3.170 2.508 2.426 2.566 . 0 0 "[ . 1 . 2]" 2
384 1 12 VAL MG1 1 13 CYS HB3 . . 4.120 3.872 3.689 4.005 . 0 0 "[ . 1 . 2]" 2
385 1 12 VAL MG1 1 13 CYS HB2 . . 4.290 4.180 3.989 4.286 . 0 0 "[ . 1 . 2]" 2
386 1 20 PHE HB2 1 22 LEU HB3 . . 5.500 5.520 5.506 5.534 0.034 10 0 "[ . 1 . 2]" 2
387 1 20 PHE HB2 1 26 LEU HG . . 5.500 5.322 5.245 5.367 . 0 0 "[ . 1 . 2]" 2
388 1 12 VAL MG1 1 19 ALA MB . . 3.430 3.167 2.970 3.410 . 0 0 "[ . 1 . 2]" 2
389 1 20 PHE HB3 1 26 LEU H . . 4.180 3.559 3.443 3.633 . 0 0 "[ . 1 . 2]" 2
390 1 20 PHE HB3 1 26 LEU HA . . 4.820 4.184 4.109 4.234 . 0 0 "[ . 1 . 2]" 2
391 1 20 PHE HB2 1 26 LEU HA . . 4.690 3.664 3.582 3.758 . 0 0 "[ . 1 . 2]" 2
392 1 20 PHE HB3 1 23 LYS HA . . 5.500 5.509 5.461 5.523 0.023 19 0 "[ . 1 . 2]" 2
393 1 11 TYR HB3 1 20 PHE HB2 . . 3.920 3.612 3.540 3.639 . 0 0 "[ . 1 . 2]" 2
394 1 11 TYR HB2 1 20 PHE HB3 . . 4.260 4.137 4.107 4.160 . 0 0 "[ . 1 . 2]" 2
395 1 11 TYR HB2 1 20 PHE HB2 . . 3.650 2.555 2.518 2.587 . 0 0 "[ . 1 . 2]" 2
396 1 20 PHE HB3 1 25 GLN HB2 . . 3.390 2.125 2.002 2.209 . 0 0 "[ . 1 . 2]" 2
397 1 20 PHE HB2 1 25 GLN HB2 . . 3.750 3.041 2.938 3.096 . 0 0 "[ . 1 . 2]" 2
398 1 20 PHE HB3 1 25 GLN HB3 . . 3.700 2.319 1.998 2.425 . 0 0 "[ . 1 . 2]" 2
399 1 20 PHE HB3 1 22 LEU HB3 . . 5.150 4.947 4.914 4.994 . 0 0 "[ . 1 . 2]" 2
400 1 9 LYS HD3 1 20 PHE HB3 . . 5.160 4.692 4.338 5.166 0.006 1 0 "[ . 1 . 2]" 2
401 1 20 PHE HB2 1 22 LEU HB2 . . 5.240 4.954 4.931 4.991 . 0 0 "[ . 1 . 2]" 2
402 1 20 PHE HB3 1 26 LEU HB2 . . 4.200 3.755 3.654 3.813 . 0 0 "[ . 1 . 2]" 2
403 1 20 PHE HB2 1 26 LEU HB2 . . 3.920 2.328 2.242 2.374 . 0 0 "[ . 1 . 2]" 2
404 1 20 PHE HB3 1 26 LEU MD1 . . 4.900 4.818 4.753 4.881 . 0 0 "[ . 1 . 2]" 2
405 1 20 PHE HB2 1 26 LEU MD1 . . 4.350 3.774 3.653 3.862 . 0 0 "[ . 1 . 2]" 2
406 1 9 LYS QE 1 19 ALA H . . 5.500 5.365 5.173 5.518 0.018 15 0 "[ . 1 . 2]" 2
407 1 18 LYS HE2 1 20 PHE QE . . 5.010 4.243 3.159 5.012 0.002 6 0 "[ . 1 . 2]" 2
408 1 18 LYS HE3 1 20 PHE HZ . . 4.920 4.413 3.753 4.928 0.008 5 0 "[ . 1 . 2]" 2
409 1 9 LYS QE 1 20 PHE HA . . 4.670 3.877 2.915 4.372 . 0 0 "[ . 1 . 2]" 2
410 1 9 LYS HA 1 9 LYS QE . . 5.020 4.813 4.696 5.023 0.003 4 0 "[ . 1 . 2]" 2
411 1 9 LYS QE 1 21 GLY HA3 . . 4.770 4.169 3.197 4.743 . 0 0 "[ . 1 . 2]" 2
412 1 9 LYS QE 1 9 LYS HG3 . . 3.390 2.445 2.058 2.897 . 0 0 "[ . 1 . 2]" 2
413 1 9 LYS QE 1 9 LYS HG2 . . 3.270 2.636 2.241 3.011 . 0 0 "[ . 1 . 2]" 2
414 1 11 TYR QD 1 23 LYS H . . 4.270 4.254 4.102 4.286 0.016 17 0 "[ . 1 . 2]" 2
415 1 18 LYS HE3 1 20 PHE QE . . 5.010 4.368 3.507 5.013 0.003 17 0 "[ . 1 . 2]" 2
416 1 18 LYS HE2 1 20 PHE HZ . . 4.920 4.311 3.533 4.916 . 0 0 "[ . 1 . 2]" 2
417 1 11 TYR HA 1 11 TYR QD . . 3.120 3.087 3.053 3.151 0.031 7 0 "[ . 1 . 2]" 2
418 1 11 TYR QD 1 21 GLY HA2 . . 4.250 3.549 3.172 3.709 . 0 0 "[ . 1 . 2]" 2
419 1 10 PRO HD2 1 11 TYR QD . . 3.590 2.652 2.476 2.732 . 0 0 "[ . 1 . 2]" 2
420 1 11 TYR QD 1 23 LYS HA . . 3.440 2.642 2.375 2.807 . 0 0 "[ . 1 . 2]" 2
421 1 11 TYR QD 1 20 PHE HB2 . . 4.270 4.100 4.050 4.201 . 0 0 "[ . 1 . 2]" 2
422 1 11 TYR QD 1 26 LEU HB3 . . 4.190 3.853 3.670 4.009 . 0 0 "[ . 1 . 2]" 2
423 1 10 PRO HG3 1 11 TYR QD . . 4.400 3.816 3.725 3.941 . 0 0 "[ . 1 . 2]" 2
424 1 10 PRO HG2 1 11 TYR QD . . 3.480 2.282 2.171 2.446 . 0 0 "[ . 1 . 2]" 2
425 1 11 TYR QD 1 23 LYS HG3 . . 3.800 2.501 2.246 3.101 . 0 0 "[ . 1 . 2]" 2
426 1 11 TYR QD 1 26 LEU MD2 . . 3.300 2.918 2.703 3.314 0.014 17 0 "[ . 1 . 2]" 2
427 1 23 LYS HB3 1 23 LYS HE2 . . 4.920 4.270 2.232 4.842 . 0 0 "[ . 1 . 2]" 2
428 1 11 TYR QD 1 12 VAL MG2 . . 5.500 5.407 5.295 5.498 . 0 0 "[ . 1 . 2]" 2
429 1 11 TYR QD 1 27 ILE MD . . 5.500 5.289 5.109 5.402 . 0 0 "[ . 1 . 2]" 2
430 1 27 ILE HA 1 30 GLU H . . 3.850 3.760 3.664 3.830 . 0 0 "[ . 1 . 2]" 2
431 1 28 ILE HA 1 30 GLU H . . 4.860 4.796 4.729 4.868 0.008 5 0 "[ . 1 . 2]" 2
432 1 27 ILE H 1 28 ILE HA . . 5.500 5.394 5.307 5.455 . 0 0 "[ . 1 . 2]" 2
433 1 28 ILE HA 1 29 HIS HA . . 4.810 4.753 4.730 4.768 . 0 0 "[ . 1 . 2]" 2
434 1 28 ILE HA 1 31 ARG HD2 . . 3.630 2.171 1.997 2.703 . 0 0 "[ . 1 . 2]" 2
435 1 28 ILE HA 1 31 ARG HD3 . . 4.150 2.482 1.996 2.842 . 0 0 "[ . 1 . 2]" 2
436 1 27 ILE HA 1 30 GLU HG3 . . 3.900 3.618 3.379 3.792 . 0 0 "[ . 1 . 2]" 2
437 1 27 ILE HA 1 30 GLU HG2 . . 5.060 4.893 4.766 5.049 . 0 0 "[ . 1 . 2]" 2
438 1 27 ILE HA 1 30 GLU HB2 . . 3.520 3.151 3.071 3.217 . 0 0 "[ . 1 . 2]" 2
439 1 26 LEU HB3 1 27 ILE HA . . 4.460 4.380 4.339 4.436 . 0 0 "[ . 1 . 2]" 2
440 1 28 ILE HA 1 31 ARG HG3 . . 3.580 2.359 2.128 2.563 . 0 0 "[ . 1 . 2]" 2
441 1 28 ILE HA 1 28 ILE HG13 . . 3.420 2.741 2.709 2.801 . 0 0 "[ . 1 . 2]" 2
442 1 27 ILE HA 1 27 ILE HG13 . . 3.450 3.267 3.139 3.406 . 0 0 "[ . 1 . 2]" 2
443 1 28 ILE HA 1 28 ILE HG12 . . 3.150 2.837 2.798 2.854 . 0 0 "[ . 1 . 2]" 2
444 1 26 LEU MD1 1 27 ILE HA . . 5.270 4.691 4.557 4.796 . 0 0 "[ . 1 . 2]" 2
445 1 28 ILE HA 1 28 ILE MG . . 2.900 2.392 2.267 2.446 . 0 0 "[ . 1 . 2]" 2
446 1 27 ILE HA 1 27 ILE MG . . 2.980 2.252 2.182 2.332 . 0 0 "[ . 1 . 2]" 2
447 1 13 CYS H 1 20 PHE QD . . 4.300 3.808 3.607 3.953 . 0 0 "[ . 1 . 2]" 2
448 1 11 TYR H 1 20 PHE QD . . 5.500 5.508 5.456 5.538 0.038 19 0 "[ . 1 . 2]" 2
449 1 20 PHE QD 1 22 LEU H . . 4.710 4.641 4.566 4.721 0.011 7 0 "[ . 1 . 2]" 2
450 1 19 ALA HA 1 20 PHE QD . . 3.580 2.921 2.838 3.005 . 0 0 "[ . 1 . 2]" 2
451 1 20 PHE HA 1 20 PHE QD . . 3.350 3.155 3.129 3.174 . 0 0 "[ . 1 . 2]" 2
452 1 20 PHE QD 1 25 GLN HA . . 4.360 4.310 4.166 4.368 0.008 7 0 "[ . 1 . 2]" 2
453 1 20 PHE QD 1 26 LEU HA . . 3.590 3.249 3.134 3.299 . 0 0 "[ . 1 . 2]" 2
454 1 20 PHE QD 1 29 HIS HB3 . . 4.620 4.456 4.412 4.482 . 0 0 "[ . 1 . 2]" 2
455 1 11 TYR HB3 1 20 PHE QD . . 4.130 4.050 3.940 4.125 . 0 0 "[ . 1 . 2]" 2
456 1 11 TYR HB2 1 20 PHE QD . . 3.770 3.557 3.504 3.595 . 0 0 "[ . 1 . 2]" 2
457 1 20 PHE QD 1 25 GLN HB2 . . 3.590 3.417 3.316 3.557 . 0 0 "[ . 1 . 2]" 2
458 1 20 PHE QD 1 25 GLN HB3 . . 3.220 2.197 2.092 2.310 . 0 0 "[ . 1 . 2]" 2
459 1 20 PHE QD 1 26 LEU HG . . 4.610 4.556 4.440 4.626 0.016 2 0 "[ . 1 . 2]" 2
460 1 9 LYS HD3 1 20 PHE QD . . 5.200 4.757 4.497 4.994 . 0 0 "[ . 1 . 2]" 2
461 1 18 LYS HD3 1 20 PHE QD . . 5.500 5.099 4.748 5.403 . 0 0 "[ . 1 . 2]" 2
462 1 20 PHE QD 1 26 LEU HB2 . . 3.510 2.350 2.161 2.477 . 0 0 "[ . 1 . 2]" 2
463 1 20 PHE QD 1 26 LEU MD1 . . 3.070 2.146 1.974 2.326 . 0 0 "[ . 1 . 2]" 2
464 1 12 VAL MG2 1 20 PHE QD . . 5.030 4.924 4.819 5.037 0.007 2 0 "[ . 1 . 2]" 2
465 1 10 PRO HA 1 11 TYR HA . . 4.990 4.730 4.701 4.761 . 0 0 "[ . 1 . 2]" 2
466 1 9 LYS HA 1 10 PRO HA . . 4.630 4.544 4.477 4.578 . 0 0 "[ . 1 . 2]" 2
467 1 10 PRO HA 1 11 TYR H . . 3.570 3.551 3.519 3.568 . 0 0 "[ . 1 . 2]" 2
468 1 10 PRO HA 1 11 TYR QD . . 5.350 5.147 5.036 5.193 . 0 0 "[ . 1 . 2]" 2
469 1 10 PRO HA 1 12 VAL MG2 . . 4.000 3.578 3.438 3.666 . 0 0 "[ . 1 . 2]" 2
470 1 20 PHE H 1 26 LEU HB2 . . 5.090 4.016 3.964 4.051 . 0 0 "[ . 1 . 2]" 2
471 1 26 LEU HB2 1 27 ILE H . . 4.220 3.970 3.908 4.025 . 0 0 "[ . 1 . 2]" 2
472 1 20 PHE QD 1 26 LEU HB3 . . 4.220 4.035 3.872 4.151 . 0 0 "[ . 1 . 2]" 2
473 1 20 PHE QE 1 26 LEU HB2 . . 4.940 3.851 3.714 3.966 . 0 0 "[ . 1 . 2]" 2
474 1 25 GLN H 1 26 LEU HB2 . . 5.500 5.475 5.429 5.518 0.018 10 0 "[ . 1 . 2]" 2
475 1 25 GLN H 1 26 LEU HB3 . . 5.170 4.926 4.832 4.964 . 0 0 "[ . 1 . 2]" 2
476 1 11 TYR HA 1 26 LEU HB2 . . 5.090 4.897 4.814 4.970 . 0 0 "[ . 1 . 2]" 2
477 1 11 TYR HA 1 26 LEU HB3 . . 5.380 5.095 5.006 5.189 . 0 0 "[ . 1 . 2]" 2
478 1 11 TYR HB3 1 26 LEU HB3 . . 3.460 2.793 2.702 2.858 . 0 0 "[ . 1 . 2]" 2
479 1 11 TYR HB3 1 26 LEU HB2 . . 3.490 2.827 2.728 2.964 . 0 0 "[ . 1 . 2]" 2
480 1 20 PHE HB2 1 26 LEU HB3 . . 4.320 3.543 3.414 3.618 . 0 0 "[ . 1 . 2]" 2
481 1 25 GLN HB2 1 26 LEU HB2 . . 5.050 4.363 4.319 4.439 . 0 0 "[ . 1 . 2]" 2
482 1 20 PHE HB3 1 26 LEU HB3 . . 5.040 4.814 4.702 4.898 . 0 0 "[ . 1 . 2]" 2
483 1 25 GLN HB2 1 26 LEU HB3 . . 5.110 4.658 4.557 4.701 . 0 0 "[ . 1 . 2]" 2
484 1 27 ILE MG 1 30 GLU H . . 5.090 5.004 4.852 5.097 0.007 20 0 "[ . 1 . 2]" 2
485 1 28 ILE MG 1 31 ARG HD2 . . 4.070 3.036 2.780 3.337 . 0 0 "[ . 1 . 2]" 2
486 1 28 ILE MG 1 31 ARG HD3 . . 4.290 2.385 2.041 2.667 . 0 0 "[ . 1 . 2]" 2
487 1 27 ILE MG 1 31 ARG HG3 . . 4.440 3.967 3.777 4.168 . 0 0 "[ . 1 . 2]" 2
488 1 28 ILE MG 1 31 ARG HG3 . . 4.710 3.770 3.481 3.983 . 0 0 "[ . 1 . 2]" 2
489 1 28 ILE HG12 1 28 ILE MG . . 3.020 2.148 2.079 2.245 . 0 0 "[ . 1 . 2]" 2
490 1 27 ILE H 1 27 ILE MG . . 3.920 3.748 3.726 3.759 . 0 0 "[ . 1 . 2]" 2
491 1 24 SER HA 1 27 ILE MG . . 3.920 3.830 3.790 3.913 . 0 0 "[ . 1 . 2]" 2
492 1 27 ILE MG 1 30 GLU HB2 . . 4.560 4.015 3.890 4.119 . 0 0 "[ . 1 . 2]" 2
493 1 26 LEU HB3 1 27 ILE MG . . 5.500 5.527 5.485 5.573 0.073 19 0 "[ . 1 . 2]" 2
494 1 27 ILE HG12 1 27 ILE MG . . 3.360 2.448 2.349 2.518 . 0 0 "[ . 1 . 2]" 2
495 1 27 ILE HG13 1 27 ILE MG . . 3.360 3.184 3.172 3.200 . 0 0 "[ . 1 . 2]" 2
496 1 33 HIS HB2 1 34 THR HA . . 4.730 4.050 4.008 4.099 . 0 0 "[ . 1 . 2]" 2
497 1 19 ALA H 1 20 PHE QE . . 4.860 4.517 4.429 4.599 . 0 0 "[ . 1 . 2]" 2
498 1 12 VAL HA 1 20 PHE QE . . 4.860 4.333 4.191 4.482 . 0 0 "[ . 1 . 2]" 2
499 1 13 CYS HA 1 20 PHE QE . . 5.300 4.393 4.226 4.543 . 0 0 "[ . 1 . 2]" 2
500 1 18 LYS H 1 20 PHE QE . . 4.660 3.896 3.791 4.010 . 0 0 "[ . 1 . 2]" 2
501 1 20 PHE QE 1 29 HIS H . . 5.040 4.813 4.724 4.920 . 0 0 "[ . 1 . 2]" 2
502 1 19 ALA HA 1 20 PHE QE . . 4.940 4.043 3.936 4.166 . 0 0 "[ . 1 . 2]" 2
503 1 29 HIS HB3 1 32 ILE MG . . 5.500 5.010 4.809 5.240 . 0 0 "[ . 1 . 2]" 2
504 1 31 ARG HD3 1 32 ILE MG . . 5.500 5.089 4.953 5.340 . 0 0 "[ . 1 . 2]" 2
505 1 13 CYS HB2 1 20 PHE QE . . 3.570 2.284 2.201 2.433 . 0 0 "[ . 1 . 2]" 2
506 1 20 PHE QE 1 25 GLN HB3 . . 4.460 4.161 4.073 4.268 . 0 0 "[ . 1 . 2]" 2
507 1 18 LYS HD3 1 20 PHE QE . . 4.380 3.278 2.970 3.559 . 0 0 "[ . 1 . 2]" 2
508 1 32 ILE H 1 32 ILE MG . . 3.050 1.903 1.870 2.052 . 0 0 "[ . 1 . 2]" 2
509 1 14 ASN HB2 1 15 GLU HA . . 5.500 4.761 4.359 5.587 0.087 12 0 "[ . 1 . 2]" 2
510 1 14 ASN HB3 1 15 GLU HA . . 5.500 4.595 4.205 4.956 . 0 0 "[ . 1 . 2]" 2
511 1 29 HIS HA 1 32 ILE MG . . 3.800 2.988 2.822 3.278 . 0 0 "[ . 1 . 2]" 2
512 1 30 GLU HA 1 32 ILE MG . . 4.730 4.558 4.433 4.659 . 0 0 "[ . 1 . 2]" 2
513 1 29 HIS HB2 1 32 ILE MG . . 4.890 4.609 4.395 4.804 . 0 0 "[ . 1 . 2]" 2
514 1 31 ARG HB3 1 32 ILE MG . . 4.620 4.373 4.289 4.462 . 0 0 "[ . 1 . 2]" 2
515 1 31 ARG HB2 1 32 ILE MG . . 4.460 3.310 3.247 3.422 . 0 0 "[ . 1 . 2]" 2
516 1 32 ILE HG12 1 32 ILE MG . . 3.100 2.352 2.256 2.419 . 0 0 "[ . 1 . 2]" 2
517 1 32 ILE HG13 1 32 ILE MG . . 3.510 3.191 3.183 3.200 . 0 0 "[ . 1 . 2]" 2
518 1 32 ILE MD 1 32 ILE MG . . 2.810 2.047 1.932 2.216 . 0 0 "[ . 1 . 2]" 2
519 1 14 ASN H 1 14 ASN HB3 . . 3.650 3.532 2.876 3.647 . 0 0 "[ . 1 . 2]" 2
520 1 24 SER H 1 24 SER QB . . 3.600 2.269 2.201 2.360 . 0 0 "[ . 1 . 2]" 2
521 1 24 SER QB 1 28 ILE H . . 5.300 4.695 4.473 5.158 . 0 0 "[ . 1 . 2]" 2
522 1 24 SER QB 1 25 GLN H . . 4.250 2.909 2.615 3.440 . 0 0 "[ . 1 . 2]" 2
523 1 24 SER QB 1 25 GLN HG2 . . 5.100 4.117 3.727 4.832 . 0 0 "[ . 1 . 2]" 2
524 1 24 SER QB 1 28 ILE HG13 . . 5.460 3.932 3.576 4.603 . 0 0 "[ . 1 . 2]" 2
525 1 12 VAL HA 1 26 LEU MD1 . . 5.050 3.436 3.266 3.636 . 0 0 "[ . 1 . 2]" 2
526 1 24 SER QB 1 28 ILE MD . . 3.960 2.970 2.584 3.599 . 0 0 "[ . 1 . 2]" 2
527 1 24 SER QB 1 27 ILE H . . 5.040 4.773 4.588 4.952 . 0 0 "[ . 1 . 2]" 2
528 1 28 ILE H 1 28 ILE HB . . 3.010 2.555 2.533 2.588 . 0 0 "[ . 1 . 2]" 2
529 1 12 VAL HA 1 13 CYS HB3 . . 5.220 4.962 4.936 5.011 . 0 0 "[ . 1 . 2]" 2
530 1 28 ILE HB 1 29 HIS HB3 . . 5.500 4.908 4.846 4.959 . 0 0 "[ . 1 . 2]" 2
531 1 28 ILE HB 1 31 ARG HD2 . . 5.500 4.968 4.683 5.356 . 0 0 "[ . 1 . 2]" 2
532 1 28 ILE HB 1 31 ARG HD3 . . 5.500 4.658 4.071 4.968 . 0 0 "[ . 1 . 2]" 2
533 1 12 VAL HA 1 13 CYS HB2 . . 4.950 4.286 4.257 4.307 . 0 0 "[ . 1 . 2]" 2
534 1 24 SER QB 1 27 ILE HB . . 4.270 4.055 3.762 4.285 0.015 10 0 "[ . 1 . 2]" 2
535 1 28 ILE HB 1 30 GLU H . . 5.450 5.358 5.315 5.401 . 0 0 "[ . 1 . 2]" 2
536 1 12 VAL HA 1 20 PHE QD . . 4.930 3.527 3.437 3.634 . 0 0 "[ . 1 . 2]" 2
537 1 28 ILE HB 1 29 HIS HB2 . . 4.660 4.428 4.383 4.488 . 0 0 "[ . 1 . 2]" 2
538 1 25 GLN HB3 1 28 ILE HB . . 5.500 5.485 5.438 5.522 0.022 10 0 "[ . 1 . 2]" 2
539 1 11 TYR HB2 1 12 VAL H . . 4.370 4.381 4.345 4.404 0.034 12 0 "[ . 1 . 2]" 2
540 1 13 CYS HA 1 30 GLU HG2 . . 4.810 3.604 3.298 3.767 . 0 0 "[ . 1 . 2]" 2
541 1 11 TYR HB3 1 20 PHE HB3 . . 5.310 5.304 5.243 5.322 0.012 2 0 "[ . 1 . 2]" 2
542 1 11 TYR HB2 1 26 LEU HA . . 5.480 5.311 5.228 5.365 . 0 0 "[ . 1 . 2]" 2
543 1 29 HIS HB3 1 30 GLU HG2 . . 5.150 4.776 4.619 4.882 . 0 0 "[ . 1 . 2]" 2
544 1 11 TYR HB2 1 26 LEU HB3 . . 4.050 3.669 3.571 3.733 . 0 0 "[ . 1 . 2]" 2
545 1 11 TYR HB3 1 26 LEU HG . . 4.510 4.355 4.269 4.512 0.002 17 0 "[ . 1 . 2]" 2
546 1 11 TYR HB2 1 26 LEU HG . . 5.500 5.511 5.486 5.592 0.092 17 0 "[ . 1 . 2]" 2
547 1 10 PRO HG2 1 11 TYR HB3 . . 5.270 5.025 4.989 5.067 . 0 0 "[ . 1 . 2]" 2
548 1 10 PRO HG2 1 11 TYR HB2 . . 4.950 4.259 4.164 4.458 . 0 0 "[ . 1 . 2]" 2
549 1 11 TYR HB2 1 26 LEU HB2 . . 3.820 3.053 3.002 3.098 . 0 0 "[ . 1 . 2]" 2
550 1 11 TYR HB3 1 12 VAL MG2 . . 5.440 5.271 5.123 5.380 . 0 0 "[ . 1 . 2]" 2
551 1 27 ILE HB 1 29 HIS H . . 5.000 4.865 4.788 4.955 . 0 0 "[ . 1 . 2]" 2
552 1 27 ILE HB 1 28 ILE H . . 3.400 2.561 2.477 2.766 . 0 0 "[ . 1 . 2]" 2
553 1 24 SER HA 1 28 ILE H . . 4.340 3.964 3.850 4.046 . 0 0 "[ . 1 . 2]" 2
554 1 29 HIS HD2 1 30 GLU HG3 . . 3.940 3.325 3.131 3.610 . 0 0 "[ . 1 . 2]" 2
555 1 30 GLU HG3 1 33 HIS HD2 . . 4.840 4.587 4.445 4.728 . 0 0 "[ . 1 . 2]" 2
556 1 27 ILE HB 1 28 ILE HA . . 4.940 4.134 4.046 4.175 . 0 0 "[ . 1 . 2]" 2
557 1 13 CYS HB3 1 30 GLU HG2 . . 5.500 5.045 4.754 5.246 . 0 0 "[ . 1 . 2]" 2
558 1 26 LEU HA 1 30 GLU HG2 . . 5.500 5.401 5.338 5.479 . 0 0 "[ . 1 . 2]" 2
559 1 26 LEU HA 1 30 GLU HG3 . . 4.700 3.874 3.822 3.987 . 0 0 "[ . 1 . 2]" 2
560 1 29 HIS HB3 1 30 GLU HG3 . . 4.980 3.396 3.317 3.511 . 0 0 "[ . 1 . 2]" 2
561 1 13 CYS HB2 1 30 GLU HG2 . . 4.710 4.321 4.066 4.456 . 0 0 "[ . 1 . 2]" 2
562 1 24 SER HA 1 27 ILE HB . . 3.260 2.544 2.479 2.648 . 0 0 "[ . 1 . 2]" 2
563 1 26 LEU HG 1 30 GLU HG3 . . 3.780 2.345 2.228 2.451 . 0 0 "[ . 1 . 2]" 2
564 1 26 LEU HG 1 30 GLU HG2 . . 4.240 3.412 3.340 3.558 . 0 0 "[ . 1 . 2]" 2
565 1 26 LEU HB2 1 30 GLU HG3 . . 5.140 4.817 4.751 4.856 . 0 0 "[ . 1 . 2]" 2
566 1 30 GLU HG2 1 34 THR MG . . 5.500 5.193 4.831 5.473 . 0 0 "[ . 1 . 2]" 2
567 1 24 SER HA 1 27 ILE HG13 . . 4.050 2.269 2.075 2.468 . 0 0 "[ . 1 . 2]" 2
568 1 23 LYS HG2 1 24 SER HA . . 4.790 3.637 3.135 3.850 . 0 0 "[ . 1 . 2]" 2
569 1 32 ILE HB 1 33 HIS H . . 4.210 4.009 3.906 4.121 . 0 0 "[ . 1 . 2]" 2
570 1 26 LEU HB3 1 27 ILE HB . . 5.500 5.317 5.207 5.399 . 0 0 "[ . 1 . 2]" 2
571 1 24 SER HA 1 26 LEU HB3 . . 5.480 5.185 5.106 5.295 . 0 0 "[ . 1 . 2]" 2
572 1 23 LYS HG2 1 27 ILE HB . . 5.290 4.999 4.522 5.200 . 0 0 "[ . 1 . 2]" 2
573 1 20 PHE HZ 1 29 HIS HE1 . . 4.400 3.824 3.714 3.952 . 0 0 "[ . 1 . 2]" 2
574 1 20 PHE HZ 1 29 HIS HD2 . . 4.520 3.180 3.051 3.319 . 0 0 "[ . 1 . 2]" 2
575 1 20 PHE HZ 1 26 LEU HA . . 4.640 4.000 3.869 4.096 . 0 0 "[ . 1 . 2]" 2
576 1 20 PHE HZ 1 29 HIS HB3 . . 4.000 3.090 3.009 3.183 . 0 0 "[ . 1 . 2]" 2
577 1 20 PHE HZ 1 29 HIS HB2 . . 3.660 2.855 2.641 3.012 . 0 0 "[ . 1 . 2]" 2
578 1 18 LYS HD3 1 20 PHE HZ . . 3.580 2.198 1.997 2.512 . 0 0 "[ . 1 . 2]" 2
579 1 18 LYS HB3 1 20 PHE HZ . . 3.940 2.383 2.210 2.555 . 0 0 "[ . 1 . 2]" 2
580 1 30 GLU HA 1 32 ILE H . . 3.950 3.762 3.628 3.948 . 0 0 "[ . 1 . 2]" 2
581 1 29 HIS H 1 30 GLU HA . . 5.420 5.244 5.191 5.279 . 0 0 "[ . 1 . 2]" 2
582 1 30 GLU HA 1 33 HIS H . . 3.740 3.464 3.328 3.584 . 0 0 "[ . 1 . 2]" 2
583 1 30 GLU HA 1 33 HIS HD2 . . 2.950 2.096 1.999 2.259 . 0 0 "[ . 1 . 2]" 2
584 1 29 HIS HA 1 30 GLU HA . . 5.300 4.860 4.846 4.874 . 0 0 "[ . 1 . 2]" 2
585 1 30 GLU HA 1 31 ARG HA . . 5.500 4.855 4.825 4.879 . 0 0 "[ . 1 . 2]" 2
586 1 30 GLU HA 1 33 HIS HB2 . . 4.020 3.814 3.660 3.922 . 0 0 "[ . 1 . 2]" 2
587 1 30 GLU HA 1 30 GLU HG3 . . 3.390 2.952 2.879 3.057 . 0 0 "[ . 1 . 2]" 2
588 1 30 GLU HA 1 30 GLU HG2 . . 3.170 2.689 2.591 2.778 . 0 0 "[ . 1 . 2]" 2
589 1 30 GLU HA 1 31 ARG HG3 . . 5.500 5.470 5.385 5.513 0.013 17 0 "[ . 1 . 2]" 2
590 1 26 LEU HG 1 30 GLU HA . . 5.450 5.282 5.204 5.411 . 0 0 "[ . 1 . 2]" 2
591 1 30 GLU HA 1 34 THR MG . . 4.830 4.210 3.923 4.390 . 0 0 "[ . 1 . 2]" 2
592 1 30 GLU HA 1 32 ILE HG12 . . 4.880 3.251 3.164 3.323 . 0 0 "[ . 1 . 2]" 2
593 1 30 GLU HA 1 32 ILE MD . . 4.840 4.291 4.138 4.389 . 0 0 "[ . 1 . 2]" 2
594 1 29 HIS HE1 1 32 ILE MD . . 3.080 2.468 2.374 2.576 . 0 0 "[ . 1 . 2]" 2
595 1 32 ILE MD 1 33 HIS H . . 4.520 3.949 3.832 4.156 . 0 0 "[ . 1 . 2]" 2
596 1 32 ILE MD 1 33 HIS HD2 . . 4.870 3.783 3.577 4.073 . 0 0 "[ . 1 . 2]" 2
597 1 32 ILE HA 1 32 ILE MD . . 4.310 4.150 4.132 4.171 . 0 0 "[ . 1 . 2]" 2
598 1 29 HIS HB3 1 30 GLU HA . . 4.630 4.346 4.275 4.400 . 0 0 "[ . 1 . 2]" 2
599 1 32 ILE HB 1 32 ILE MD . . 3.030 2.320 2.232 2.428 . 0 0 "[ . 1 . 2]" 2
600 1 29 HIS HA 1 32 ILE H . . 4.050 3.799 3.669 3.914 . 0 0 "[ . 1 . 2]" 2
601 1 29 HIS HA 1 31 ARG H . . 4.300 3.629 3.582 3.713 . 0 0 "[ . 1 . 2]" 2
602 1 29 HIS HD2 1 33 HIS HD2 . . 4.240 3.989 3.802 4.161 . 0 0 "[ . 1 . 2]" 2
603 1 20 PHE QE 1 29 HIS HA . . 5.060 4.862 4.795 4.941 . 0 0 "[ . 1 . 2]" 2
604 1 20 PHE HZ 1 29 HIS HA . . 4.920 4.813 4.647 4.924 0.004 7 0 "[ . 1 . 2]" 2
605 1 33 HIS HB2 1 33 HIS HD2 . . 3.260 2.695 2.689 2.704 . 0 0 "[ . 1 . 2]" 2
606 1 29 HIS HA 1 29 HIS HB2 . . 2.900 2.388 2.369 2.412 . 0 0 "[ . 1 . 2]" 2
607 1 30 GLU HG2 1 33 HIS HD2 . . 4.070 3.594 3.481 3.730 . 0 0 "[ . 1 . 2]" 2
608 1 30 GLU HB3 1 33 HIS HD2 . . 4.320 3.563 3.365 3.784 . 0 0 "[ . 1 . 2]" 2
609 1 15 GLU HG3 1 33 HIS HD2 . . 4.890 3.535 2.501 4.435 . 0 0 "[ . 1 . 2]" 2
610 1 29 HIS HA 1 31 ARG HB2 . . 5.060 4.134 4.057 4.221 . 0 0 "[ . 1 . 2]" 2
611 1 28 ILE HB 1 29 HIS HA . . 4.520 4.259 4.235 4.284 . 0 0 "[ . 1 . 2]" 2
612 1 15 GLU HB2 1 33 HIS HD2 . . 4.000 2.595 2.400 2.710 . 0 0 "[ . 1 . 2]" 2
613 1 15 GLU HB3 1 33 HIS HD2 . . 3.980 3.434 3.261 3.640 . 0 0 "[ . 1 . 2]" 2
614 1 26 LEU MD1 1 29 HIS HA . . 5.500 5.436 5.285 5.528 0.028 19 0 "[ . 1 . 2]" 2
615 1 28 ILE MG 1 29 HIS HA . . 3.710 3.610 3.486 3.719 0.009 14 0 "[ . 1 . 2]" 2
616 1 29 HIS HA 1 32 ILE MD . . 4.540 4.387 4.247 4.508 . 0 0 "[ . 1 . 2]" 2
617 1 32 ILE MG 1 33 HIS HD2 . . 5.310 5.085 4.899 5.303 . 0 0 "[ . 1 . 2]" 2
618 1 23 LYS HA 1 24 SER HA . . 4.850 4.839 4.832 4.854 0.004 7 0 "[ . 1 . 2]" 2
619 1 23 LYS HA 1 27 ILE MD . . 5.140 4.544 4.451 4.667 . 0 0 "[ . 1 . 2]" 2
620 1 23 LYS HA 1 27 ILE H . . 4.580 4.455 4.342 4.564 . 0 0 "[ . 1 . 2]" 2
621 1 29 HIS H 1 29 HIS HD2 . . 5.090 4.893 4.817 4.986 . 0 0 "[ . 1 . 2]" 2
622 1 20 PHE QD 1 29 HIS HD2 . . 5.100 5.091 5.043 5.108 0.008 10 0 "[ . 1 . 2]" 2
623 1 20 PHE QE 1 29 HIS HD2 . . 3.490 3.123 3.064 3.183 . 0 0 "[ . 1 . 2]" 2
624 1 23 LYS HA 1 26 LEU HB3 . . 3.570 3.383 3.138 3.488 . 0 0 "[ . 1 . 2]" 2
625 1 23 LYS HA 1 23 LYS HG3 . . 3.370 2.459 2.330 2.705 . 0 0 "[ . 1 . 2]" 2
626 1 23 LYS HA 1 23 LYS HG2 . . 3.370 3.117 3.044 3.215 . 0 0 "[ . 1 . 2]" 2
627 1 29 HIS HD2 1 32 ILE MD . . 5.140 4.071 3.819 4.196 . 0 0 "[ . 1 . 2]" 2
628 1 13 CYS HA 1 29 HIS HD2 . . 4.720 4.555 4.502 4.642 . 0 0 "[ . 1 . 2]" 2
629 1 29 HIS HA 1 29 HIS HD2 . . 4.690 4.552 4.515 4.590 . 0 0 "[ . 1 . 2]" 2
630 1 29 HIS HD2 1 30 GLU HA . . 3.460 3.245 3.143 3.372 . 0 0 "[ . 1 . 2]" 2
631 1 13 CYS HB3 1 29 HIS HD2 . . 3.960 3.859 3.759 3.937 . 0 0 "[ . 1 . 2]" 2
632 1 29 HIS HB3 1 29 HIS HD2 . . 3.590 2.745 2.731 2.760 . 0 0 "[ . 1 . 2]" 2
633 1 13 CYS HB2 1 29 HIS HD2 . . 3.180 2.854 2.720 2.917 . 0 0 "[ . 1 . 2]" 2
634 1 29 HIS HD2 1 30 GLU HG2 . . 3.830 3.635 3.400 3.784 . 0 0 "[ . 1 . 2]" 2
635 1 26 LEU HG 1 29 HIS HD2 . . 4.980 4.726 4.514 4.955 . 0 0 "[ . 1 . 2]" 2
636 1 18 LYS HB2 1 29 HIS HD2 . . 4.960 4.414 4.209 4.571 . 0 0 "[ . 1 . 2]" 2
637 1 27 ILE H 1 27 ILE MD . . 3.670 3.576 3.518 3.600 . 0 0 "[ . 1 . 2]" 2
638 1 27 ILE HA 1 27 ILE MD . . 3.910 3.799 3.752 3.844 . 0 0 "[ . 1 . 2]" 2
639 1 23 LYS HE2 1 27 ILE MD . . 4.190 2.999 1.997 4.201 0.011 7 0 "[ . 1 . 2]" 2
640 1 23 LYS HE3 1 27 ILE MD . . 4.190 3.572 2.616 4.168 . 0 0 "[ . 1 . 2]" 2
641 1 27 ILE HB 1 27 ILE MD . . 3.100 2.468 2.383 2.602 . 0 0 "[ . 1 . 2]" 2
642 1 24 SER H 1 27 ILE MD . . 4.950 3.643 3.434 3.812 . 0 0 "[ . 1 . 2]" 2
643 1 27 ILE MD 1 28 ILE H . . 4.790 4.576 4.492 4.752 . 0 0 "[ . 1 . 2]" 2
644 1 24 SER HA 1 27 ILE MD . . 3.200 2.257 1.999 2.506 . 0 0 "[ . 1 . 2]" 2
645 1 26 LEU HB3 1 27 ILE MD . . 5.090 4.936 4.883 4.960 . 0 0 "[ . 1 . 2]" 2
646 1 23 LYS HG2 1 27 ILE MD . . 3.550 2.093 1.975 2.284 . 0 0 "[ . 1 . 2]" 2
647 1 15 GLU H 1 16 CYS HA . . 4.990 4.922 4.709 5.000 0.010 6 0 "[ . 1 . 2]" 2
648 1 31 ARG HA 1 35 GLY H . . 5.180 4.304 4.022 4.520 . 0 0 "[ . 1 . 2]" 2
649 1 27 ILE H 1 28 ILE MD . . 5.150 4.761 4.628 4.876 . 0 0 "[ . 1 . 2]" 2
650 1 18 LYS HA 1 19 ALA H . . 2.560 2.153 2.147 2.163 . 0 0 "[ . 1 . 2]" 2
651 1 28 ILE MD 1 29 HIS H . . 4.520 4.373 4.314 4.455 . 0 0 "[ . 1 . 2]" 2
652 1 28 ILE H 1 28 ILE MD . . 3.580 3.094 3.058 3.165 . 0 0 "[ . 1 . 2]" 2
653 1 18 LYS HA 1 19 ALA HA . . 4.620 4.379 4.375 4.383 . 0 0 "[ . 1 . 2]" 2
654 1 31 ARG HA 1 34 THR HB . . 4.390 3.991 3.887 4.141 . 0 0 "[ . 1 . 2]" 2
655 1 31 ARG HA 1 32 ILE HA . . 5.060 4.830 4.793 4.879 . 0 0 "[ . 1 . 2]" 2
656 1 25 GLN HA 1 28 ILE MD . . 3.370 2.495 2.432 2.589 . 0 0 "[ . 1 . 2]" 2
657 1 28 ILE HA 1 28 ILE MD . . 3.910 3.899 3.888 3.917 0.007 20 0 "[ . 1 . 2]" 2
658 1 28 ILE MD 1 31 ARG HD2 . . 5.500 5.058 4.877 5.390 . 0 0 "[ . 1 . 2]" 2
659 1 28 ILE MD 1 31 ARG HD3 . . 5.500 5.193 4.785 5.419 . 0 0 "[ . 1 . 2]" 2
660 1 25 GLN HG2 1 28 ILE MD . . 4.740 4.571 4.485 4.632 . 0 0 "[ . 1 . 2]" 2
661 1 30 GLU HB2 1 31 ARG HA . . 4.550 4.300 4.263 4.336 . 0 0 "[ . 1 . 2]" 2
662 1 25 GLN HB3 1 28 ILE MD . . 4.860 4.744 4.690 4.827 . 0 0 "[ . 1 . 2]" 2
663 1 31 ARG HA 1 31 ARG HB3 . . 2.860 2.491 2.469 2.508 . 0 0 "[ . 1 . 2]" 2
664 1 31 ARG HA 1 31 ARG HG2 . . 3.200 2.546 2.494 2.617 . 0 0 "[ . 1 . 2]" 2
665 1 28 ILE HB 1 28 ILE MD . . 2.880 2.274 2.221 2.297 . 0 0 "[ . 1 . 2]" 2
666 1 18 LYS HA 1 18 LYS HB2 . . 3.010 2.643 2.603 2.665 . 0 0 "[ . 1 . 2]" 2
667 1 15 GLU HB2 1 16 CYS HA . . 4.930 4.863 4.754 4.893 . 0 0 "[ . 1 . 2]" 2
668 1 15 GLU HB3 1 16 CYS HA . . 4.740 4.423 4.371 4.447 . 0 0 "[ . 1 . 2]" 2
669 1 18 LYS HA 1 18 LYS HG3 . . 3.770 2.239 2.173 2.316 . 0 0 "[ . 1 . 2]" 2
670 1 18 LYS HA 1 20 PHE QE . . 4.850 4.358 4.317 4.447 . 0 0 "[ . 1 . 2]" 2
671 1 15 GLU HA 1 16 CYS HA . . 4.820 4.547 4.544 4.555 . 0 0 "[ . 1 . 2]" 2
672 1 13 CYS HB3 1 18 LYS HA . . 4.860 4.671 4.619 4.739 . 0 0 "[ . 1 . 2]" 2
673 1 15 GLU HA 1 15 GLU HG3 . . 3.880 2.987 2.244 3.684 . 0 0 "[ . 1 . 2]" 2
674 1 14 ASN H 1 15 GLU HA . . 5.090 4.905 4.778 5.013 . 0 0 "[ . 1 . 2]" 2
675 1 15 GLU H 1 15 GLU HG3 . . 4.480 4.072 3.812 4.385 . 0 0 "[ . 1 . 2]" 2
676 1 15 GLU HG3 1 16 CYS H . . 5.500 4.972 4.840 5.070 . 0 0 "[ . 1 . 2]" 2
677 1 15 GLU HG2 1 33 HIS HD2 . . 4.890 3.141 2.395 4.084 . 0 0 "[ . 1 . 2]" 2
678 1 15 GLU HA 1 15 GLU HG2 . . 3.880 3.259 2.594 3.698 . 0 0 "[ . 1 . 2]" 2
679 1 15 GLU HG3 1 33 HIS HB3 . . 4.310 2.930 2.272 3.752 . 0 0 "[ . 1 . 2]" 2
680 1 15 GLU HG2 1 33 HIS HB3 . . 4.310 3.175 2.156 4.311 0.001 17 0 "[ . 1 . 2]" 2
681 1 20 PHE QE 1 26 LEU HA . . 3.970 3.418 3.321 3.486 . 0 0 "[ . 1 . 2]" 2
682 1 26 LEU HA 1 29 HIS HA . . 5.230 5.156 5.111 5.206 . 0 0 "[ . 1 . 2]" 2
683 1 26 LEU HA 1 27 ILE HA . . 5.140 4.857 4.829 4.883 . 0 0 "[ . 1 . 2]" 2
684 1 26 LEU HA 1 29 HIS HB3 . . 3.170 2.418 2.361 2.486 . 0 0 "[ . 1 . 2]" 2
685 1 11 TYR HB3 1 26 LEU HA . . 5.210 5.135 5.027 5.237 0.027 7 0 "[ . 1 . 2]" 2
686 1 25 GLN HB2 1 26 LEU HA . . 4.810 4.475 4.439 4.543 . 0 0 "[ . 1 . 2]" 2
687 1 26 LEU HA 1 26 LEU HG . . 3.640 3.173 3.134 3.223 . 0 0 "[ . 1 . 2]" 2
688 1 25 GLN HA 1 25 GLN HE22 . . 4.390 3.866 3.599 4.110 . 0 0 "[ . 1 . 2]" 2
689 1 25 GLN HA 1 26 LEU HA . . 5.070 4.704 4.683 4.716 . 0 0 "[ . 1 . 2]" 2
690 1 25 GLN HA 1 28 ILE HB . . 3.770 3.562 3.505 3.610 . 0 0 "[ . 1 . 2]" 2
691 1 22 LEU H 1 25 GLN HG2 . . 4.430 3.962 3.883 4.028 . 0 0 "[ . 1 . 2]" 2
692 1 20 PHE QD 1 25 GLN HG2 . . 5.150 5.056 4.978 5.142 . 0 0 "[ . 1 . 2]" 2
693 1 20 PHE QD 1 25 GLN HG3 . . 4.490 4.071 3.966 4.198 . 0 0 "[ . 1 . 2]" 2
694 1 25 GLN HE22 1 25 GLN HG3 . . 3.920 3.796 3.688 3.898 . 0 0 "[ . 1 . 2]" 2
695 1 25 GLN H 1 25 GLN HG3 . . 3.980 3.726 3.682 3.792 . 0 0 "[ . 1 . 2]" 2
696 1 25 GLN HA 1 25 GLN HG2 . . 3.370 3.044 2.980 3.111 . 0 0 "[ . 1 . 2]" 2
697 1 25 GLN HA 1 25 GLN HG3 . . 3.700 3.680 3.661 3.698 . 0 0 "[ . 1 . 2]" 2
698 1 20 PHE HB3 1 25 GLN HG2 . . 4.620 4.267 4.155 4.334 . 0 0 "[ . 1 . 2]" 2
699 1 20 PHE HB3 1 25 GLN HG3 . . 4.320 3.475 3.299 3.560 . 0 0 "[ . 1 . 2]" 2
700 1 22 LEU HB3 1 25 GLN HG2 . . 3.730 2.284 2.218 2.342 . 0 0 "[ . 1 . 2]" 2
701 1 22 LEU HB2 1 25 GLN HG2 . . 3.650 2.011 1.992 2.050 . 0 0 "[ . 1 . 2]" 2
702 1 22 LEU MD2 1 25 GLN HG3 . . 5.030 4.811 4.746 4.912 . 0 0 "[ . 1 . 2]" 2
703 1 22 LEU MD1 1 25 GLN HG2 . . 3.830 2.371 2.242 2.551 . 0 0 "[ . 1 . 2]" 2
704 1 22 LEU H 1 25 GLN HG3 . . 4.690 3.354 3.171 3.456 . 0 0 "[ . 1 . 2]" 2
705 1 22 LEU HB3 1 25 GLN HG3 . . 3.760 3.429 3.330 3.525 . 0 0 "[ . 1 . 2]" 2
706 1 25 GLN HG3 1 28 ILE MD . . 5.500 5.449 5.396 5.496 . 0 0 "[ . 1 . 2]" 2
707 1 7 GLY QA 1 8 GLN QG . . 4.470 3.838 3.442 4.337 . 0 0 "[ . 1 . 2]" 2
708 1 8 GLN QG 1 10 PRO HD3 . . 5.130 3.487 2.361 4.876 . 0 0 "[ . 1 . 2]" 2
709 1 8 GLN H 1 8 GLN QG . . 5.110 2.382 1.856 3.519 . 0 0 "[ . 1 . 2]" 2
710 1 8 GLN QG 1 9 LYS HA . . 5.500 4.220 3.703 5.510 0.010 10 0 "[ . 1 . 2]" 2
711 1 13 CYS H 1 18 LYS HB2 . . 4.930 4.730 4.632 4.784 . 0 0 "[ . 1 . 2]" 2
712 1 17 GLY H 1 18 LYS HB2 . . 5.160 4.001 3.926 4.109 . 0 0 "[ . 1 . 2]" 2
713 1 18 LYS HB2 1 19 ALA H . . 4.470 4.402 4.371 4.439 . 0 0 "[ . 1 . 2]" 2
714 1 18 LYS HB3 1 19 ALA H . . 4.220 3.934 3.861 4.008 . 0 0 "[ . 1 . 2]" 2
715 1 18 LYS HB2 1 20 PHE QD . . 5.500 5.570 5.537 5.619 0.119 19 0 "[ . 1 . 2]" 2
716 1 18 LYS HB3 1 20 PHE QD . . 5.070 4.010 3.971 4.063 . 0 0 "[ . 1 . 2]" 2
717 1 18 LYS HB2 1 20 PHE QE . . 3.980 3.637 3.598 3.675 . 0 0 "[ . 1 . 2]" 2
718 1 18 LYS HB3 1 20 PHE QE . . 3.830 1.981 1.963 1.987 . 0 0 "[ . 1 . 2]" 2
719 1 18 LYS HB2 1 20 PHE HZ . . 4.330 3.597 3.420 3.761 . 0 0 "[ . 1 . 2]" 2
720 1 13 CYS HB3 1 18 LYS HB3 . . 4.420 3.598 3.478 3.672 . 0 0 "[ . 1 . 2]" 2
721 1 13 CYS HB2 1 18 LYS HB3 . . 4.210 2.838 2.717 2.919 . 0 0 "[ . 1 . 2]" 2
722 1 13 CYS HB2 1 18 LYS HB2 . . 4.130 3.747 3.634 3.839 . 0 0 "[ . 1 . 2]" 2
723 1 9 LYS HB2 1 20 PHE HA . . 5.060 4.851 4.369 5.064 0.004 7 0 "[ . 1 . 2]" 2
724 1 9 LYS HB3 1 20 PHE HA . . 4.840 3.513 3.294 3.669 . 0 0 "[ . 1 . 2]" 2
725 1 7 GLY QA 1 8 GLN HA . . 4.910 3.968 3.932 4.144 . 0 0 "[ . 1 . 2]" 2
726 1 8 GLN HA 1 10 PRO HD3 . . 5.280 4.827 4.506 5.288 0.008 8 0 "[ . 1 . 2]" 2
727 1 9 LYS HB2 1 9 LYS QE . . 4.520 3.900 3.596 4.208 . 0 0 "[ . 1 . 2]" 2
728 1 8 GLN HA 1 8 GLN QG . . 3.510 3.257 2.248 3.495 . 0 0 "[ . 1 . 2]" 2
729 1 8 GLN HA 1 9 LYS HB2 . . 4.740 4.563 4.465 4.749 0.009 8 0 "[ . 1 . 2]" 2
730 1 8 GLN HA 1 9 LYS HG3 . . 4.570 3.916 3.661 4.276 . 0 0 "[ . 1 . 2]" 2
731 1 9 LYS HB2 1 11 TYR H . . 5.440 5.146 4.701 5.380 . 0 0 "[ . 1 . 2]" 2
732 1 14 ASN HA 1 15 GLU HA . . 4.970 4.618 4.511 4.659 . 0 0 "[ . 1 . 2]" 2
733 1 9 LYS HB2 1 10 PRO HD2 . . 4.750 4.677 4.408 4.763 0.013 7 0 "[ . 1 . 2]" 2
734 1 12 VAL MG1 1 14 ASN HA . . 4.430 4.024 3.790 4.302 . 0 0 "[ . 1 . 2]" 2
735 1 14 ASN HA 1 17 GLY H . . 4.590 4.533 4.466 4.596 0.006 7 0 "[ . 1 . 2]" 2
736 1 15 GLU H 1 16 CYS HB3 . . 5.450 5.253 5.048 5.336 . 0 0 "[ . 1 . 2]" 2
737 1 16 CYS H 1 16 CYS HB2 . . 3.800 3.751 3.721 3.766 . 0 0 "[ . 1 . 2]" 2
738 1 16 CYS H 1 16 CYS HB3 . . 3.320 3.096 3.039 3.147 . 0 0 "[ . 1 . 2]" 2
739 1 16 CYS HA 1 16 CYS HB3 . . 2.930 2.431 2.414 2.448 . 0 0 "[ . 1 . 2]" 2
740 1 16 CYS HA 1 16 CYS HB2 . . 2.850 2.476 2.458 2.494 . 0 0 "[ . 1 . 2]" 2
741 1 15 GLU HB2 1 16 CYS HB3 . . 4.490 4.305 4.223 4.370 . 0 0 "[ . 1 . 2]" 2
742 1 10 PRO HB3 1 11 TYR H . . 4.150 4.030 3.924 4.156 0.006 7 0 "[ . 1 . 2]" 2
743 1 10 PRO HB2 1 11 TYR QD . . 4.540 4.130 4.054 4.222 . 0 0 "[ . 1 . 2]" 2
744 1 10 PRO HB3 1 11 TYR QD . . 5.150 5.013 4.954 5.048 . 0 0 "[ . 1 . 2]" 2
745 1 10 PRO HB3 1 11 TYR QE . . 5.280 5.205 5.130 5.256 . 0 0 "[ . 1 . 2]" 2
746 1 10 PRO HB2 1 11 TYR QE . . 4.460 4.454 4.411 4.474 0.014 12 0 "[ . 1 . 2]" 2
747 1 10 PRO HB2 1 11 TYR HA . . 4.720 4.036 3.967 4.118 . 0 0 "[ . 1 . 2]" 2
748 1 10 PRO HB2 1 12 VAL MG2 . . 5.330 5.128 5.027 5.212 . 0 0 "[ . 1 . 2]" 2
749 1 10 PRO HB3 1 12 VAL MG2 . . 5.500 5.459 5.346 5.516 0.016 15 0 "[ . 1 . 2]" 2
750 1 9 LYS HA 1 10 PRO HB2 . . 5.500 5.468 5.442 5.493 . 0 0 "[ . 1 . 2]" 2
751 1 23 LYS HB3 1 24 SER H . . 3.430 2.021 1.958 2.104 . 0 0 "[ . 1 . 2]" 2
752 1 11 TYR QD 1 23 LYS HB2 . . 4.860 3.703 3.252 3.844 . 0 0 "[ . 1 . 2]" 2
753 1 11 TYR QD 1 23 LYS HB3 . . 4.970 4.756 4.407 4.902 . 0 0 "[ . 1 . 2]" 2
754 1 11 TYR QE 1 23 LYS HB2 . . 4.470 2.298 2.046 2.442 . 0 0 "[ . 1 . 2]" 2
755 1 23 LYS HB3 1 24 SER HA . . 4.970 4.056 3.980 4.290 . 0 0 "[ . 1 . 2]" 2
756 1 23 LYS HB2 1 24 SER HA . . 5.500 5.512 5.498 5.526 0.026 19 0 "[ . 1 . 2]" 2
757 1 23 LYS HB2 1 24 SER QB . . 5.500 5.405 5.244 5.509 0.009 20 0 "[ . 1 . 2]" 2
758 1 23 LYS HB3 1 23 LYS HE3 . . 4.920 4.509 2.783 4.862 . 0 0 "[ . 1 . 2]" 2
759 1 23 LYS HB2 1 27 ILE MD . . 5.070 4.660 4.531 4.807 . 0 0 "[ . 1 . 2]" 2
760 1 23 LYS HB3 1 27 ILE MD . . 4.830 3.662 3.416 3.997 . 0 0 "[ . 1 . 2]" 2
761 1 9 LYS HA 1 11 TYR H . . 4.670 3.718 3.466 3.946 . 0 0 "[ . 1 . 2]" 2
762 1 8 GLN HA 1 9 LYS HA . . 5.420 4.402 4.371 4.451 . 0 0 "[ . 1 . 2]" 2
763 1 9 LYS HA 1 10 PRO HB3 . . 5.500 5.028 4.905 5.097 . 0 0 "[ . 1 . 2]" 2
764 1 31 ARG HB3 1 32 ILE HA . . 5.090 4.479 4.418 4.537 . 0 0 "[ . 1 . 2]" 2
765 1 28 ILE MG 1 31 ARG HB3 . . 5.020 4.721 4.644 4.855 . 0 0 "[ . 1 . 2]" 2
766 1 28 ILE MG 1 31 ARG HB2 . . 4.850 3.681 3.540 3.780 . 0 0 "[ . 1 . 2]" 2
767 1 28 ILE HA 1 31 ARG HB2 . . 4.730 3.826 3.713 4.027 . 0 0 "[ . 1 . 2]" 2
768 1 31 ARG HB2 1 31 ARG HD2 . . 3.980 3.631 3.528 3.742 . 0 0 "[ . 1 . 2]" 2
769 1 31 ARG HB2 1 31 ARG HD3 . . 4.120 2.425 2.331 2.767 . 0 0 "[ . 1 . 2]" 2
770 1 26 LEU HG 1 30 GLU HB3 . . 5.290 4.938 4.897 4.993 . 0 0 "[ . 1 . 2]" 2
771 1 26 LEU MD1 1 30 GLU HB2 . . 4.700 4.499 4.256 4.633 . 0 0 "[ . 1 . 2]" 2
772 1 30 GLU H 1 30 GLU HB3 . . 3.640 3.594 3.591 3.598 . 0 0 "[ . 1 . 2]" 2
773 1 30 GLU HB3 1 31 ARG H . . 4.200 4.054 3.954 4.118 . 0 0 "[ . 1 . 2]" 2
774 1 28 ILE H 1 30 GLU HB2 . . 5.500 5.455 5.349 5.511 0.011 6 0 "[ . 1 . 2]" 2
775 1 29 HIS HD2 1 30 GLU HB2 . . 5.500 5.219 5.059 5.380 . 0 0 "[ . 1 . 2]" 2
776 1 29 HIS HD2 1 30 GLU HB3 . . 5.500 5.132 4.983 5.273 . 0 0 "[ . 1 . 2]" 2
777 1 30 GLU HB2 1 33 HIS HD2 . . 5.160 4.789 4.647 4.993 . 0 0 "[ . 1 . 2]" 2
778 1 30 GLU HB3 1 31 ARG HA . . 5.100 4.663 4.563 4.726 . 0 0 "[ . 1 . 2]" 2
779 1 13 CYS HB2 1 18 LYS HA . . 5.050 4.736 4.687 4.786 . 0 0 "[ . 1 . 2]" 2
780 1 26 LEU HG 1 30 GLU HB2 . . 5.090 4.241 4.140 4.321 . 0 0 "[ . 1 . 2]" 2
781 1 30 GLU HB2 1 31 ARG HG2 . . 5.500 4.936 4.705 5.084 . 0 0 "[ . 1 . 2]" 2
782 1 26 LEU MD1 1 30 GLU HB3 . . 4.760 4.648 4.400 4.765 0.005 12 0 "[ . 1 . 2]" 2
783 1 27 ILE MG 1 30 GLU HB3 . . 5.400 5.371 5.278 5.406 0.006 2 0 "[ . 1 . 2]" 2
784 1 13 CYS HB2 1 14 ASN H . . 4.760 4.342 4.214 4.455 . 0 0 "[ . 1 . 2]" 2
785 1 13 CYS HB2 1 15 GLU H . . 4.830 4.355 4.252 4.419 . 0 0 "[ . 1 . 2]" 2
786 1 13 CYS HB3 1 17 GLY H . . 3.430 1.893 1.883 1.903 . 0 0 "[ . 1 . 2]" 2
787 1 13 CYS HB2 1 17 GLY H . . 3.780 3.600 3.576 3.618 . 0 0 "[ . 1 . 2]" 2
788 1 13 CYS HB2 1 20 PHE QD . . 4.590 4.069 4.001 4.171 . 0 0 "[ . 1 . 2]" 2
789 1 13 CYS HB3 1 20 PHE QE . . 3.950 3.833 3.740 3.936 . 0 0 "[ . 1 . 2]" 2
790 1 13 CYS HB3 1 16 CYS HA . . 5.480 5.102 5.051 5.166 . 0 0 "[ . 1 . 2]" 2
791 1 13 CYS HB2 1 19 ALA HA . . 5.140 4.920 4.848 4.994 . 0 0 "[ . 1 . 2]" 2
792 1 13 CYS HB3 1 17 GLY HA3 . . 4.580 4.452 4.370 4.508 . 0 0 "[ . 1 . 2]" 2
793 1 13 CYS HB3 1 17 GLY HA2 . . 4.270 3.423 3.297 3.512 . 0 0 "[ . 1 . 2]" 2
794 1 13 CYS HB2 1 17 GLY HA2 . . 4.820 4.709 4.643 4.772 . 0 0 "[ . 1 . 2]" 2
795 1 13 CYS HB3 1 18 LYS HB2 . . 3.990 3.687 3.586 3.800 . 0 0 "[ . 1 . 2]" 2
796 1 13 CYS HB3 1 26 LEU MD1 . . 3.810 3.572 3.421 3.681 . 0 0 "[ . 1 . 2]" 2
797 1 15 GLU H 1 15 GLU HB3 . . 3.680 3.569 3.546 3.618 . 0 0 "[ . 1 . 2]" 2
798 1 15 GLU HB2 1 16 CYS H . . 3.460 2.612 2.464 2.672 . 0 0 "[ . 1 . 2]" 2
799 1 15 GLU HB3 1 33 HIS HE1 . . 3.930 3.087 2.932 3.269 . 0 0 "[ . 1 . 2]" 2
800 1 13 CYS HB2 1 20 PHE HZ . . 5.010 4.110 3.986 4.262 . 0 0 "[ . 1 . 2]" 2
801 1 9 LYS HD3 1 20 PHE HA . . 4.470 2.305 1.995 2.761 . 0 0 "[ . 1 . 2]" 2
802 1 9 LYS HA 1 9 LYS HD2 . . 4.790 4.602 4.482 4.750 . 0 0 "[ . 1 . 2]" 2
803 1 9 LYS HA 1 9 LYS HD3 . . 4.540 4.357 4.188 4.512 . 0 0 "[ . 1 . 2]" 2
804 1 13 CYS HB3 1 15 GLU HB2 . . 5.030 4.109 4.018 4.246 . 0 0 "[ . 1 . 2]" 2
805 1 15 GLU HB3 1 16 CYS HB3 . . 4.510 3.954 3.922 4.028 . 0 0 "[ . 1 . 2]" 2
806 1 18 LYS HD3 1 29 HIS HE1 . . 3.870 2.832 2.576 3.140 . 0 0 "[ . 1 . 2]" 2
807 1 9 LYS HD2 1 19 ALA H . . 4.560 4.228 3.809 4.481 . 0 0 "[ . 1 . 2]" 2
808 1 9 LYS HD3 1 19 ALA H . . 5.120 4.672 4.200 5.128 0.008 15 0 "[ . 1 . 2]" 2
809 1 28 ILE HG13 1 29 HIS H . . 4.610 4.253 4.198 4.291 . 0 0 "[ . 1 . 2]" 2
810 1 28 ILE H 1 28 ILE HG12 . . 3.640 3.633 3.565 3.648 0.008 14 0 "[ . 1 . 2]" 2
811 1 18 LYS HD2 1 20 PHE HZ . . 4.150 3.758 3.439 4.062 . 0 0 "[ . 1 . 2]" 2
812 1 18 LYS HA 1 18 LYS HD3 . . 4.660 4.578 4.503 4.632 . 0 0 "[ . 1 . 2]" 2
813 1 24 SER HA 1 28 ILE HG13 . . 4.780 4.030 3.821 4.188 . 0 0 "[ . 1 . 2]" 2
814 1 25 GLN HA 1 28 ILE HG13 . . 5.220 4.357 4.206 4.439 . 0 0 "[ . 1 . 2]" 2
815 1 28 ILE HG13 1 31 ARG HD2 . . 5.310 4.253 4.068 4.839 . 0 0 "[ . 1 . 2]" 2
816 1 28 ILE HG13 1 31 ARG HD3 . . 5.500 4.895 4.419 5.240 . 0 0 "[ . 1 . 2]" 2
817 1 28 ILE HG12 1 31 ARG HD2 . . 5.200 3.700 3.511 4.095 . 0 0 "[ . 1 . 2]" 2
818 1 28 ILE HG12 1 31 ARG HD3 . . 5.500 4.156 3.757 4.426 . 0 0 "[ . 1 . 2]" 2
819 1 18 LYS HB3 1 18 LYS HD3 . . 3.850 2.747 2.625 2.975 . 0 0 "[ . 1 . 2]" 2
820 1 27 ILE H 1 28 ILE HG13 . . 4.940 4.462 4.217 4.600 . 0 0 "[ . 1 . 2]" 2
821 1 28 ILE HG12 1 29 HIS H . . 5.490 5.175 5.147 5.209 . 0 0 "[ . 1 . 2]" 2
822 1 11 TYR QE 1 23 LYS HD2 . . 4.440 2.381 1.998 4.061 . 0 0 "[ . 1 . 2]" 2
823 1 11 TYR QE 1 23 LYS HD3 . . 4.440 3.627 1.992 4.444 0.004 10 0 "[ . 1 . 2]" 2
824 1 25 GLN HA 1 28 ILE HG12 . . 5.500 5.368 5.276 5.425 . 0 0 "[ . 1 . 2]" 2
825 1 24 SER HA 1 27 ILE HG12 . . 4.050 3.826 3.684 3.961 . 0 0 "[ . 1 . 2]" 2
826 1 26 LEU HB3 1 27 ILE HG12 . . 4.940 4.175 3.970 4.414 . 0 0 "[ . 1 . 2]" 2
827 1 26 LEU HB3 1 27 ILE HG13 . . 4.940 3.643 3.514 3.774 . 0 0 "[ . 1 . 2]" 2
828 1 29 HIS HB2 1 30 GLU H . . 3.870 3.849 3.799 3.893 0.023 10 0 "[ . 1 . 2]" 2
829 1 29 HIS HB2 1 29 HIS HE1 . . 4.950 4.796 4.785 4.807 . 0 0 "[ . 1 . 2]" 2
830 1 27 ILE HA 1 27 ILE HG12 . . 3.450 2.560 2.533 2.583 . 0 0 "[ . 1 . 2]" 2
831 1 28 ILE MG 1 29 HIS HB2 . . 4.930 4.708 4.586 4.811 . 0 0 "[ . 1 . 2]" 2
832 1 27 ILE H 1 29 HIS HB3 . . 5.500 5.052 4.978 5.126 . 0 0 "[ . 1 . 2]" 2
833 1 33 HIS HB3 1 34 THR H . . 4.230 3.713 3.641 3.818 . 0 0 "[ . 1 . 2]" 2
834 1 25 GLN HB2 1 25 GLN HE21 . . 4.770 4.480 4.358 4.585 . 0 0 "[ . 1 . 2]" 2
835 1 33 HIS H 1 33 HIS HB3 . . 3.880 3.658 3.643 3.693 . 0 0 "[ . 1 . 2]" 2
836 1 20 PHE QD 1 29 HIS HB2 . . 4.720 4.324 4.260 4.410 . 0 0 "[ . 1 . 2]" 2
837 1 29 HIS HB2 1 29 HIS HD2 . . 3.890 3.839 3.820 3.858 . 0 0 "[ . 1 . 2]" 2
838 1 25 GLN HB3 1 26 LEU H . . 3.970 3.537 3.417 3.706 . 0 0 "[ . 1 . 2]" 2
839 1 20 PHE QE 1 25 GLN HB2 . . 5.500 5.383 5.306 5.508 0.008 17 0 "[ . 1 . 2]" 2
840 1 20 PHE QE 1 29 HIS HB3 . . 4.070 3.412 3.357 3.458 . 0 0 "[ . 1 . 2]" 2
841 1 20 PHE QE 1 29 HIS HB2 . . 3.880 2.777 2.705 2.866 . 0 0 "[ . 1 . 2]" 2
842 1 33 HIS HB3 1 33 HIS HD2 . . 3.920 3.729 3.672 3.766 . 0 0 "[ . 1 . 2]" 2
843 1 30 GLU HA 1 33 HIS HB3 . . 5.460 5.326 5.226 5.410 . 0 0 "[ . 1 . 2]" 2
844 1 26 LEU HA 1 29 HIS HB2 . . 3.520 3.429 3.323 3.520 . 17 0 "[ . 1 . 2]" 2
845 1 20 PHE HB2 1 25 GLN HB3 . . 4.210 3.726 3.430 3.832 . 0 0 "[ . 1 . 2]" 2
846 1 26 LEU HG 1 29 HIS HB3 . . 4.380 4.225 4.044 4.369 . 0 0 "[ . 1 . 2]" 2
847 1 22 LEU HB3 1 25 GLN HB2 . . 4.000 3.241 3.159 3.376 . 0 0 "[ . 1 . 2]" 2
848 1 22 LEU HB2 1 25 GLN HB2 . . 4.100 2.730 2.679 2.821 . 0 0 "[ . 1 . 2]" 2
849 1 15 GLU HB2 1 33 HIS HB3 . . 4.940 4.444 4.250 4.580 . 0 0 "[ . 1 . 2]" 2
850 1 26 LEU HB2 1 29 HIS HB3 . . 4.950 4.589 4.507 4.642 . 0 0 "[ . 1 . 2]" 2
851 1 25 GLN HB3 1 26 LEU HB2 . . 5.090 4.942 4.833 5.079 . 0 0 "[ . 1 . 2]" 2
852 1 26 LEU MD1 1 29 HIS HB2 . . 4.420 4.199 4.054 4.353 . 0 0 "[ . 1 . 2]" 2
853 1 22 LEU MD1 1 25 GLN HB2 . . 4.440 4.231 4.171 4.293 . 0 0 "[ . 1 . 2]" 2
854 1 22 LEU MD1 1 25 GLN HB3 . . 4.870 4.828 4.781 4.883 0.013 17 0 "[ . 1 . 2]" 2
855 1 28 ILE MG 1 29 HIS HB3 . . 5.410 5.315 5.203 5.407 . 0 0 "[ . 1 . 2]" 2
856 1 33 HIS HB3 1 34 THR HA . . 4.920 4.608 4.565 4.660 . 0 0 "[ . 1 . 2]" 2
857 1 15 GLU HB3 1 33 HIS HB3 . . 4.370 3.728 3.545 3.912 . 0 0 "[ . 1 . 2]" 2
858 1 31 ARG HG3 1 32 ILE H . . 4.610 4.396 4.307 4.462 . 0 0 "[ . 1 . 2]" 2
859 1 31 ARG HA 1 31 ARG HG3 . . 3.500 3.049 2.987 3.208 . 0 0 "[ . 1 . 2]" 2
860 1 28 ILE HA 1 31 ARG HG2 . . 4.420 3.684 3.453 3.909 . 0 0 "[ . 1 . 2]" 2
861 1 26 LEU HG 1 27 ILE H . . 4.300 3.534 3.366 3.694 . 0 0 "[ . 1 . 2]" 2
862 1 11 TYR H 1 19 ALA HA . . 5.440 5.217 5.034 5.310 . 0 0 "[ . 1 . 2]" 2
863 1 11 TYR H 1 11 TYR QE . . 4.300 3.862 3.800 3.916 . 0 0 "[ . 1 . 2]" 2
864 1 10 PRO HD3 1 11 TYR H . . 3.940 3.842 3.836 3.863 . 0 0 "[ . 1 . 2]" 2
865 1 10 PRO HD3 1 11 TYR QD . . 4.290 4.239 4.128 4.291 0.001 10 0 "[ . 1 . 2]" 2
866 1 10 PRO HD3 1 11 TYR QE . . 4.830 4.615 4.281 4.780 . 0 0 "[ . 1 . 2]" 2
867 1 11 TYR HA 1 11 TYR QE . . 4.890 4.813 4.780 4.868 . 0 0 "[ . 1 . 2]" 2
868 1 13 CYS HA 1 26 LEU HG . . 4.860 4.315 4.150 4.501 . 0 0 "[ . 1 . 2]" 2
869 1 12 VAL HA 1 19 ALA HA . . 3.120 2.013 1.983 2.093 . 0 0 "[ . 1 . 2]" 2
870 1 9 LYS HA 1 10 PRO HD2 . . 2.990 1.926 1.915 1.949 . 0 0 "[ . 1 . 2]" 2
871 1 9 LYS HA 1 10 PRO HD3 . . 2.970 2.559 2.362 2.669 . 0 0 "[ . 1 . 2]" 2
872 1 10 PRO HD2 1 21 GLY HA2 . . 3.470 2.419 2.302 2.566 . 0 0 "[ . 1 . 2]" 2
873 1 10 PRO HD3 1 21 GLY HA2 . . 3.860 3.685 3.552 3.845 . 0 0 "[ . 1 . 2]" 2
874 1 10 PRO HD2 1 21 GLY HA3 . . 4.290 4.117 4.014 4.247 . 0 0 "[ . 1 . 2]" 2
875 1 26 LEU HG 1 27 ILE HA . . 4.310 3.451 3.313 3.560 . 0 0 "[ . 1 . 2]" 2
876 1 10 PRO HD2 1 11 TYR QE . . 4.040 3.578 3.128 3.777 . 0 0 "[ . 1 . 2]" 2
877 1 11 TYR QE 1 23 LYS HA . . 3.670 3.108 3.020 3.303 . 0 0 "[ . 1 . 2]" 2
878 1 11 TYR HB2 1 19 ALA HA . . 5.260 4.580 4.521 4.659 . 0 0 "[ . 1 . 2]" 2
879 1 12 VAL HB 1 19 ALA HA . . 4.900 4.770 4.719 4.877 . 0 0 "[ . 1 . 2]" 2
880 1 9 LYS HB2 1 19 ALA HA . . 4.920 4.251 3.726 4.515 . 0 0 "[ . 1 . 2]" 2
881 1 9 LYS HD2 1 19 ALA HA . . 5.490 4.552 4.114 4.901 . 0 0 "[ . 1 . 2]" 2
882 1 10 PRO HG2 1 11 TYR QE . . 3.400 2.578 2.463 2.652 . 0 0 "[ . 1 . 2]" 2
883 1 9 LYS HB3 1 19 ALA HA . . 4.740 3.637 3.469 3.939 . 0 0 "[ . 1 . 2]" 2
884 1 9 LYS HB3 1 10 PRO HD2 . . 3.990 3.762 3.248 3.972 . 0 0 "[ . 1 . 2]" 2
885 1 9 LYS HB3 1 10 PRO HD3 . . 4.860 4.768 4.444 4.889 0.029 7 0 "[ . 1 . 2]" 2
886 1 11 TYR QE 1 23 LYS HG3 . . 3.920 2.150 1.998 2.868 . 0 0 "[ . 1 . 2]" 2
887 1 9 LYS HG2 1 10 PRO HD3 . . 5.280 5.003 4.894 5.212 . 0 0 "[ . 1 . 2]" 2
888 1 11 TYR QE 1 23 LYS HB3 . . 3.870 3.740 3.684 3.870 . 0 0 "[ . 1 . 2]" 2
889 1 11 TYR QE 1 23 LYS H . . 3.640 3.526 3.437 3.647 0.007 17 0 "[ . 1 . 2]" 2
890 1 26 LEU H 1 26 LEU HG . . 4.430 4.334 4.279 4.359 . 0 0 "[ . 1 . 2]" 2
891 1 38 GLY HA2 1 39 PRO QG . . 5.100 4.214 3.771 5.086 . 0 0 "[ . 1 . 2]" 2
892 1 10 PRO HG3 1 11 TYR QE . . 4.290 3.306 3.212 3.377 . 0 0 "[ . 1 . 2]" 2
893 1 38 GLY HA2 1 39 PRO QD . . 3.190 2.309 1.856 3.260 0.070 18 0 "[ . 1 . 2]" 2
894 1 38 GLY HA3 1 39 PRO QD . . 3.190 2.382 1.872 3.224 0.034 14 0 "[ . 1 . 2]" 2
895 1 13 CYS H 1 26 LEU MD2 . . 4.890 3.949 3.626 4.153 . 0 0 "[ . 1 . 2]" 2
896 1 22 LEU HG 1 23 LYS H . . 4.700 4.525 4.466 4.582 . 0 0 "[ . 1 . 2]" 2
897 1 26 LEU MD2 1 27 ILE H . . 4.170 4.034 3.810 4.175 0.005 4 0 "[ . 1 . 2]" 2
898 1 22 LEU H 1 22 LEU HG . . 3.740 3.614 3.556 3.685 . 0 0 "[ . 1 . 2]" 2
899 1 20 PHE QD 1 26 LEU MD2 . . 4.210 3.474 3.279 3.752 . 0 0 "[ . 1 . 2]" 2
900 1 11 TYR HA 1 26 LEU MD2 . . 3.670 3.046 2.921 3.132 . 0 0 "[ . 1 . 2]" 2
901 1 13 CYS HA 1 26 LEU MD2 . . 4.040 3.172 2.867 3.348 . 0 0 "[ . 1 . 2]" 2
902 1 32 ILE HA 1 32 ILE HG12 . . 3.880 3.803 3.757 3.832 . 0 0 "[ . 1 . 2]" 2
903 1 32 ILE HA 1 32 ILE HG13 . . 4.050 3.618 3.597 3.667 . 0 0 "[ . 1 . 2]" 2
904 1 26 LEU HA 1 26 LEU MD2 . . 4.000 3.969 3.952 3.998 . 0 0 "[ . 1 . 2]" 2
905 1 26 LEU MD2 1 29 HIS HB3 . . 5.470 5.261 5.198 5.334 . 0 0 "[ . 1 . 2]" 2
906 1 11 TYR HB3 1 26 LEU MD2 . . 3.040 1.988 1.917 2.074 . 0 0 "[ . 1 . 2]" 2
907 1 11 TYR HB2 1 26 LEU MD2 . . 3.360 3.270 3.190 3.363 0.003 19 0 "[ . 1 . 2]" 2
908 1 22 LEU HG 1 25 GLN HG2 . . 4.160 4.122 4.080 4.173 0.013 7 0 "[ . 1 . 2]" 2
909 1 26 LEU MD2 1 30 GLU HB3 . . 5.500 5.505 5.414 5.535 0.035 7 0 "[ . 1 . 2]" 2
910 1 26 LEU HB3 1 26 LEU MD2 . . 3.160 2.135 2.058 2.271 . 0 0 "[ . 1 . 2]" 2
911 1 22 LEU HB2 1 22 LEU HG . . 2.910 2.453 2.436 2.464 . 0 0 "[ . 1 . 2]" 2
912 1 26 LEU HB2 1 26 LEU MD2 . . 3.260 2.534 2.422 2.585 . 0 0 "[ . 1 . 2]" 2
913 1 26 LEU MD2 1 27 ILE HA . . 4.770 4.431 4.222 4.541 . 0 0 "[ . 1 . 2]" 2
914 1 9 LYS HA 1 10 PRO HG3 . . 4.570 4.417 4.325 4.482 . 0 0 "[ . 1 . 2]" 2
915 1 9 LYS HA 1 10 PRO HG2 . . 4.400 4.122 4.115 4.153 . 0 0 "[ . 1 . 2]" 2
916 1 18 LYS H 1 18 LYS HG2 . . 4.790 4.632 4.615 4.653 . 0 0 "[ . 1 . 2]" 2
917 1 18 LYS H 1 18 LYS HG3 . . 4.790 4.299 4.235 4.388 . 0 0 "[ . 1 . 2]" 2
918 1 18 LYS HG3 1 20 PHE QE . . 4.910 4.391 4.271 4.523 . 0 0 "[ . 1 . 2]" 2
919 1 18 LYS HG2 1 20 PHE QE . . 4.910 3.191 3.029 3.404 . 0 0 "[ . 1 . 2]" 2
920 1 18 LYS HG2 1 20 PHE HZ . . 4.850 2.894 2.701 3.234 . 0 0 "[ . 1 . 2]" 2
921 1 18 LYS HG3 1 20 PHE HZ . . 4.850 4.250 4.096 4.455 . 0 0 "[ . 1 . 2]" 2
922 1 18 LYS HA 1 18 LYS HG2 . . 3.770 3.075 2.913 3.202 . 0 0 "[ . 1 . 2]" 2
923 1 16 CYS HA 1 33 HIS HE1 . . 5.120 4.595 4.443 4.743 . 0 0 "[ . 1 . 2]" 2
924 1 16 CYS HB3 1 33 HIS HE1 . . 3.070 2.726 2.589 2.878 . 0 0 "[ . 1 . 2]" 2
925 1 15 GLU HB2 1 33 HIS HE1 . . 4.670 3.950 3.754 4.135 . 0 0 "[ . 1 . 2]" 2
926 1 32 ILE MD 1 33 HIS HE1 . . 3.940 2.454 2.264 2.688 . 0 0 "[ . 1 . 2]" 2
927 1 32 ILE MG 1 33 HIS HE1 . . 5.500 5.478 5.392 5.504 0.004 19 0 "[ . 1 . 2]" 2
928 1 31 ARG HB3 1 31 ARG HD2 . . 3.900 3.729 3.551 3.770 . 0 0 "[ . 1 . 2]" 2
929 1 31 ARG HB3 1 31 ARG HD3 . . 4.020 2.946 2.760 3.437 . 0 0 "[ . 1 . 2]" 2
930 1 31 ARG H 1 31 ARG HB3 . . 3.600 3.587 3.584 3.590 . 0 0 "[ . 1 . 2]" 2
931 1 32 ILE HA 1 32 ILE HB . . 2.780 2.381 2.366 2.402 . 0 0 "[ . 1 . 2]" 2
932 1 32 ILE HA 1 32 ILE MG . . 2.940 2.478 2.432 2.508 . 0 0 "[ . 1 . 2]" 2
933 1 7 GLY QA 1 8 GLN QB . . 4.550 4.068 3.864 4.317 . 0 0 "[ . 1 . 2]" 2
934 1 8 GLN QB 1 9 LYS HA . . 5.030 4.387 4.046 4.622 . 0 0 "[ . 1 . 2]" 2
935 1 8 GLN QB 1 10 PRO HD3 . . 4.490 3.586 3.047 4.402 . 0 0 "[ . 1 . 2]" 2
936 1 11 TYR QD 1 23 LYS QE . . 4.660 4.130 3.525 4.697 0.037 7 0 "[ . 1 . 2]" 2
937 1 11 TYR QE 1 23 LYS QE . . 5.210 3.287 2.377 3.667 . 0 0 "[ . 1 . 2]" 2
938 1 14 ASN H 1 14 ASN QD . . 4.990 4.074 2.778 4.734 . 0 0 "[ . 1 . 2]" 2
939 1 14 ASN QB 1 15 GLU H . . 3.600 3.409 3.297 3.616 0.016 7 0 "[ . 1 . 2]" 2
940 1 14 ASN QB 1 15 GLU HA . . 4.810 4.129 4.090 4.224 . 0 0 "[ . 1 . 2]" 2
941 1 15 GLU H 1 15 GLU QG . . 3.700 3.342 2.890 3.653 . 0 0 "[ . 1 . 2]" 2
942 1 15 GLU QG 1 16 CYS H . . 4.630 4.342 4.186 4.456 . 0 0 "[ . 1 . 2]" 2
943 1 15 GLU QG 1 33 HIS HB2 . . 4.390 2.397 2.179 2.628 . 0 0 "[ . 1 . 2]" 2
944 1 15 GLU QG 1 33 HIS HB3 . . 3.770 2.396 2.132 2.647 . 0 0 "[ . 1 . 2]" 2
945 1 15 GLU QG 1 33 HIS HD2 . . 4.170 2.628 2.378 2.899 . 0 0 "[ . 1 . 2]" 2
946 1 15 GLU QG 1 33 HIS HE1 . . 5.100 4.521 4.393 4.703 . 0 0 "[ . 1 . 2]" 2
947 1 18 LYS H 1 18 LYS QG . . 4.110 3.959 3.921 4.006 . 0 0 "[ . 1 . 2]" 2
948 1 18 LYS HA 1 18 LYS QG . . 3.220 2.186 2.137 2.231 . 0 0 "[ . 1 . 2]" 2
949 1 18 LYS HA 1 18 LYS QE . . 4.890 4.519 4.299 4.782 . 0 0 "[ . 1 . 2]" 2
950 1 18 LYS HB3 1 18 LYS QE . . 4.940 4.134 3.974 4.332 . 0 0 "[ . 1 . 2]" 2
951 1 18 LYS QE 1 18 LYS QG . . 3.030 2.219 2.111 2.332 . 0 0 "[ . 1 . 2]" 2
952 1 18 LYS QG 1 19 ALA H . . 3.250 2.905 2.842 2.991 . 0 0 "[ . 1 . 2]" 2
953 1 18 LYS QG 1 20 PHE QE . . 4.150 3.118 2.969 3.310 . 0 0 "[ . 1 . 2]" 2
954 1 18 LYS QG 1 20 PHE HZ . . 4.080 2.847 2.666 3.153 . 0 0 "[ . 1 . 2]" 2
955 1 18 LYS QG 1 29 HIS HE1 . . 5.290 4.629 4.468 4.767 . 0 0 "[ . 1 . 2]" 2
956 1 18 LYS QE 1 19 ALA H . . 5.340 5.044 4.805 5.333 . 0 0 "[ . 1 . 2]" 2
957 1 18 LYS QE 1 20 PHE QE . . 4.280 3.706 3.114 4.267 . 0 0 "[ . 1 . 2]" 2
958 1 18 LYS QE 1 20 PHE HZ . . 4.230 3.814 3.439 4.210 . 0 0 "[ . 1 . 2]" 2
959 1 18 LYS QE 1 29 HIS HE1 . . 4.450 3.968 3.559 4.457 0.007 12 0 "[ . 1 . 2]" 2
960 1 23 LYS H 1 23 LYS QD . . 5.240 4.395 4.359 4.620 . 0 0 "[ . 1 . 2]" 2
961 1 23 LYS HA 1 23 LYS QD . . 4.270 3.943 3.816 4.232 . 0 0 "[ . 1 . 2]" 2
962 1 23 LYS HB2 1 23 LYS QD . . 3.630 2.361 2.234 2.710 . 0 0 "[ . 1 . 2]" 2
963 1 23 LYS HB3 1 23 LYS QD . . 3.610 2.473 2.233 3.158 . 0 0 "[ . 1 . 2]" 2
964 1 23 LYS HB3 1 23 LYS QE . . 4.330 3.875 2.146 4.158 . 0 0 "[ . 1 . 2]" 2
965 1 23 LYS QE 1 23 LYS HG2 . . 3.720 2.456 2.159 3.250 . 0 0 "[ . 1 . 2]" 2
966 1 23 LYS HG2 1 27 ILE QG . . 3.650 2.734 2.465 2.858 . 0 0 "[ . 1 . 2]" 2
967 1 23 LYS QE 1 23 LYS HG3 . . 3.690 2.476 2.092 3.302 . 0 0 "[ . 1 . 2]" 2
968 1 23 LYS QD 1 24 SER H . . 5.340 4.074 3.556 4.878 . 0 0 "[ . 1 . 2]" 2
969 1 23 LYS QE 1 27 ILE QG . . 4.530 3.784 3.422 4.517 . 0 0 "[ . 1 . 2]" 2
970 1 23 LYS QE 1 27 ILE MD . . 3.510 2.702 1.977 3.520 0.010 10 0 "[ . 1 . 2]" 2
971 1 24 SER HA 1 27 ILE QG . . 3.530 2.253 2.065 2.444 . 0 0 "[ . 1 . 2]" 2
972 1 24 SER QB 1 27 ILE QG . . 4.150 4.154 4.130 4.176 0.026 10 0 "[ . 1 . 2]" 2
973 1 26 LEU H 1 27 ILE QG . . 3.980 3.635 3.514 3.736 . 0 0 "[ . 1 . 2]" 2
974 1 26 LEU HB3 1 27 ILE QG . . 4.110 3.421 3.375 3.449 . 0 0 "[ . 1 . 2]" 2
975 1 27 ILE H 1 27 ILE QG . . 2.880 1.861 1.843 1.872 . 0 0 "[ . 1 . 2]" 2
976 1 27 ILE HA 1 27 ILE QG . . 2.910 2.472 2.440 2.509 . 0 0 "[ . 1 . 2]" 2
977 1 27 ILE QG 1 27 ILE MG . . 2.780 2.372 2.292 2.428 . 0 0 "[ . 1 . 2]" 2
978 1 27 ILE QG 1 28 ILE H . . 4.150 3.773 3.633 3.845 . 0 0 "[ . 1 . 2]" 2
979 1 34 THR H 1 35 GLY QA . . 5.340 4.779 4.651 4.859 . 0 0 "[ . 1 . 2]" 2
980 1 34 THR HA 1 35 GLY QA . . 5.340 4.363 4.209 4.558 . 0 0 "[ . 1 . 2]" 2
981 1 34 THR HB 1 35 GLY QA . . 5.340 4.349 4.240 4.693 . 0 0 "[ . 1 . 2]" 2
982 1 34 THR MG 1 35 GLY QA . . 5.340 4.907 4.857 5.051 . 0 0 "[ . 1 . 2]" 2
983 1 35 GLY QA 1 36 GLU QB . . 4.760 4.081 3.537 4.515 . 0 0 "[ . 1 . 2]" 2
984 1 36 GLU H 1 36 GLU QB . . 3.500 2.520 2.237 2.931 . 0 0 "[ . 1 . 2]" 2
985 1 36 GLU H 1 36 GLU QG . . 4.390 3.249 1.874 4.267 . 0 0 "[ . 1 . 2]" 2
986 1 38 GLY QA 1 39 PRO QG . . 4.490 3.680 3.642 3.724 . 0 0 "[ . 1 . 2]" 2
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