NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
599251 |
2n2x   |
25615 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2n2x
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 886
_Distance_constraint_stats_list.Viol_count 1563
_Distance_constraint_stats_list.Viol_total 3228.383
_Distance_constraint_stats_list.Viol_max 0.499
_Distance_constraint_stats_list.Viol_rms 0.0265
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0040
_Distance_constraint_stats_list.Viol_average_violations_only 0.0689
_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 1 GLY 0.094 0.057 7 0 "[ . 1 . 2 . 3]"
1 2 ILE 10.241 0.380 21 0 "[ . 1 . 2 . 3]"
1 3 VAL 4.129 0.163 10 0 "[ . 1 . 2 . 3]"
1 4 GLU 0.342 0.192 16 0 "[ . 1 . 2 . 3]"
1 5 GLN 1.738 0.172 22 0 "[ . 1 . 2 . 3]"
1 6 CYS 0.006 0.004 5 0 "[ . 1 . 2 . 3]"
1 7 CYS 3.921 0.380 21 0 "[ . 1 . 2 . 3]"
1 8 THR 2.080 0.192 16 0 "[ . 1 . 2 . 3]"
1 9 SER 1.830 0.097 28 0 "[ . 1 . 2 . 3]"
1 10 ILE 8.104 0.194 22 0 "[ . 1 . 2 . 3]"
1 11 CYS 0.194 0.037 5 0 "[ . 1 . 2 . 3]"
1 12 SER 9.175 0.494 30 0 "[ . 1 . 2 . 3]"
1 13 LEU 4.503 0.221 30 0 "[ . 1 . 2 . 3]"
1 14 TYR 4.264 0.221 30 0 "[ . 1 . 2 . 3]"
1 15 GLN 1.368 0.184 29 0 "[ . 1 . 2 . 3]"
1 16 LEU 9.976 0.480 24 0 "[ . 1 . 2 . 3]"
1 17 GLU 2.291 0.193 30 0 "[ . 1 . 2 . 3]"
1 18 ASN 0.171 0.047 1 0 "[ . 1 . 2 . 3]"
1 19 TYR 12.578 0.480 24 0 "[ . 1 . 2 . 3]"
1 20 CYS 0.982 0.104 23 0 "[ . 1 . 2 . 3]"
1 21 ASN 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
2 1 PHE 0.516 0.071 28 0 "[ . 1 . 2 . 3]"
2 2 VAL 8.456 0.494 30 0 "[ . 1 . 2 . 3]"
2 3 ASN 4.531 0.194 22 0 "[ . 1 . 2 . 3]"
2 4 GLN 1.152 0.078 29 0 "[ . 1 . 2 . 3]"
2 5 HIS 7.280 0.141 27 0 "[ . 1 . 2 . 3]"
2 6 LEU 2.455 0.084 27 0 "[ . 1 . 2 . 3]"
2 7 CYS 1.452 0.065 12 0 "[ . 1 . 2 . 3]"
2 8 GLY 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
2 9 SER 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
2 10 HIS 5.369 0.130 30 0 "[ . 1 . 2 . 3]"
2 11 LEU 2.998 0.209 21 0 "[ . 1 . 2 . 3]"
2 12 VAL 7.193 0.355 20 0 "[ . 1 . 2 . 3]"
2 13 GLU 14.604 0.499 6 0 "[ . 1 . 2 . 3]"
2 14 ALA 7.307 0.198 29 0 "[ . 1 . 2 . 3]"
2 15 LEU 7.761 0.245 30 0 "[ . 1 . 2 . 3]"
2 16 TYR 2.133 0.133 23 0 "[ . 1 . 2 . 3]"
2 17 LEU 18.501 0.499 6 0 "[ . 1 . 2 . 3]"
2 18 VAL 11.229 0.198 29 0 "[ . 1 . 2 . 3]"
2 19 CYS 6.604 0.133 23 0 "[ . 1 . 2 . 3]"
2 20 GLY 0.527 0.066 25 0 "[ . 1 . 2 . 3]"
2 21 GLU 0.291 0.062 11 0 "[ . 1 . 2 . 3]"
2 22 ARG 3.901 0.356 27 0 "[ . 1 . 2 . 3]"
2 23 GLY 3.735 0.356 27 0 "[ . 1 . 2 . 3]"
2 24 GLY 1.268 0.107 14 0 "[ . 1 . 2 . 3]"
2 25 PHE 3.454 0.245 30 0 "[ . 1 . 2 . 3]"
2 26 TYR 4.838 0.355 20 0 "[ . 1 . 2 . 3]"
2 28 PRO 0.219 0.107 27 0 "[ . 1 . 2 . 3]"
2 30 THR 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
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 2 9 SER H 2 9 SER QB 3.550 . 3.550 2.676 2.553 2.878 . 0 0 "[ . 1 . 2 . 3]" 1
2 2 7 CYS H 2 7 CYS HB2 3.710 . 3.710 3.015 2.725 3.127 . 0 0 "[ . 1 . 2 . 3]" 1
3 2 7 CYS H 2 7 CYS HB3 3.710 . 3.710 3.180 3.011 3.350 . 0 0 "[ . 1 . 2 . 3]" 1
4 2 7 CYS HB2 2 8 GLY H 4.900 . 4.900 4.052 3.981 4.136 . 0 0 "[ . 1 . 2 . 3]" 1
5 2 7 CYS HB3 2 8 GLY H 4.900 . 4.900 3.216 2.987 3.424 . 0 0 "[ . 1 . 2 . 3]" 1
6 2 6 LEU HA 2 7 CYS H 2.860 . 2.860 2.202 2.136 2.252 . 0 0 "[ . 1 . 2 . 3]" 1
7 2 5 HIS HB3 2 6 LEU H 4.670 . 4.670 3.307 3.064 4.166 . 0 0 "[ . 1 . 2 . 3]" 1
8 2 5 HIS H 2 5 HIS HB2 3.210 . 3.210 2.401 2.333 2.465 . 0 0 "[ . 1 . 2 . 3]" 1
9 2 5 HIS H 2 5 HIS HB3 3.710 . 3.710 3.616 3.582 3.638 . 0 0 "[ . 1 . 2 . 3]" 1
10 2 4 GLN HA 2 5 HIS H 2.790 . 2.790 2.591 2.544 2.657 . 0 0 "[ . 1 . 2 . 3]" 1
11 2 4 GLN H 2 4 GLN HB3 4.100 . 4.100 3.461 3.381 3.519 . 0 0 "[ . 1 . 2 . 3]" 1
12 2 4 GLN HG3 2 5 HIS H 3.700 . 3.700 3.259 3.098 3.385 . 0 0 "[ . 1 . 2 . 3]" 1
13 2 4 GLN H 2 4 GLN HB2 4.100 . 4.100 4.007 3.959 4.040 . 0 0 "[ . 1 . 2 . 3]" 1
14 2 4 GLN H 2 4 GLN HG3 3.980 . 3.980 3.498 3.331 3.634 . 0 0 "[ . 1 . 2 . 3]" 1
15 2 4 GLN H 2 4 GLN HG2 3.700 . 3.700 2.578 2.492 2.684 . 0 0 "[ . 1 . 2 . 3]" 1
16 2 4 GLN HG2 2 5 HIS H 4.450 . 4.450 4.332 4.218 4.457 0.007 6 0 "[ . 1 . 2 . 3]" 1
17 2 3 ASN QB 2 4 GLN H 3.610 . 3.610 3.176 2.918 3.379 . 0 0 "[ . 1 . 2 . 3]" 1
18 2 3 ASN H 2 3 ASN QB 2.930 . 2.930 2.629 2.571 2.715 . 0 0 "[ . 1 . 2 . 3]" 1
19 2 3 ASN HA 2 4 GLN H 2.710 . 2.710 2.162 2.119 2.212 . 0 0 "[ . 1 . 2 . 3]" 1
20 2 2 VAL HA 2 3 ASN H 2.440 . 2.440 2.195 2.089 2.278 . 0 0 "[ . 1 . 2 . 3]" 1
21 2 2 VAL HB 2 3 ASN H 4.080 . 4.080 4.094 4.025 4.123 0.043 26 0 "[ . 1 . 2 . 3]" 1
22 2 2 VAL H 2 2 VAL HB 3.420 . 3.420 2.930 2.562 3.311 . 0 0 "[ . 1 . 2 . 3]" 1
23 2 2 VAL QG 2 3 ASN H 3.200 . 3.200 2.416 2.251 2.605 . 0 0 "[ . 1 . 2 . 3]" 1
24 2 2 VAL H 2 2 VAL QG 3.270 . 3.270 2.430 2.102 2.794 . 0 0 "[ . 1 . 2 . 3]" 1
25 2 1 PHE HA 2 2 VAL H 2.810 . 2.810 2.098 2.028 2.171 . 0 0 "[ . 1 . 2 . 3]" 1
26 2 1 PHE HA 2 1 PHE QD 3.310 . 3.310 3.165 3.123 3.201 . 0 0 "[ . 1 . 2 . 3]" 1
27 2 1 PHE HA 2 1 PHE QE 4.870 . 4.870 4.690 4.619 4.760 . 0 0 "[ . 1 . 2 . 3]" 1
28 1 16 LEU MD1 2 1 PHE HZ 4.680 . 4.680 3.195 2.209 4.178 . 0 0 "[ . 1 . 2 . 3]" 1
29 1 16 LEU MD2 2 1 PHE HZ 4.680 . 4.680 2.533 2.013 3.954 . 0 0 "[ . 1 . 2 . 3]" 1
30 1 12 SER H 1 12 SER HB2 3.990 . 3.990 2.938 2.485 3.777 . 0 0 "[ . 1 . 2 . 3]" 1
31 1 12 SER H 1 12 SER HB3 3.990 . 3.990 3.235 2.529 3.819 . 0 0 "[ . 1 . 2 . 3]" 1
32 1 12 SER HA 1 13 LEU H 2.740 . 2.740 2.452 2.336 2.545 . 0 0 "[ . 1 . 2 . 3]" 1
33 1 12 SER HB2 1 13 LEU H 4.080 . 4.080 3.436 2.380 3.902 . 0 0 "[ . 1 . 2 . 3]" 1
34 1 12 SER HB3 1 13 LEU H 4.080 . 4.080 3.021 2.280 3.832 . 0 0 "[ . 1 . 2 . 3]" 1
35 1 13 LEU HA 1 16 LEU H 3.750 . 3.750 3.226 3.055 3.466 . 0 0 "[ . 1 . 2 . 3]" 1
36 1 14 TYR HB2 1 15 GLN H 3.830 . 3.830 3.781 3.642 3.848 0.018 26 0 "[ . 1 . 2 . 3]" 1
37 1 14 TYR HB3 1 15 GLN H 3.860 . 3.860 2.498 2.367 2.617 . 0 0 "[ . 1 . 2 . 3]" 1
38 1 14 TYR H 1 14 TYR HB2 3.340 . 3.340 2.367 2.260 2.471 . 0 0 "[ . 1 . 2 . 3]" 1
39 1 14 TYR H 1 14 TYR HB3 3.200 . 3.200 2.583 2.414 2.745 . 0 0 "[ . 1 . 2 . 3]" 1
40 1 14 TYR HA 1 14 TYR QD 3.300 . 3.300 2.899 2.661 3.101 . 0 0 "[ . 1 . 2 . 3]" 1
41 1 14 TYR HA 1 14 TYR QE 4.840 . 4.840 4.651 4.578 4.782 . 0 0 "[ . 1 . 2 . 3]" 1
42 1 18 ASN H 1 18 ASN HB3 3.780 . 3.780 3.622 3.592 3.681 . 0 0 "[ . 1 . 2 . 3]" 1
43 1 18 ASN H 1 18 ASN HB2 3.780 . 3.780 2.442 2.335 2.523 . 0 0 "[ . 1 . 2 . 3]" 1
44 1 18 ASN HB3 1 19 TYR H 4.140 . 4.140 4.056 3.961 4.157 0.017 17 0 "[ . 1 . 2 . 3]" 1
45 1 18 ASN HB2 1 19 TYR H 4.140 . 4.140 3.215 3.034 3.341 . 0 0 "[ . 1 . 2 . 3]" 1
46 1 19 TYR H 1 19 TYR HB3 3.800 . 3.800 3.645 3.599 3.699 . 0 0 "[ . 1 . 2 . 3]" 1
47 1 19 TYR H 1 19 TYR HB2 3.230 . 3.230 2.448 2.368 2.608 . 0 0 "[ . 1 . 2 . 3]" 1
48 1 19 TYR HA 1 19 TYR QD 3.170 . 3.170 2.655 2.145 2.965 . 0 0 "[ . 1 . 2 . 3]" 1
49 1 19 TYR HA 1 19 TYR QE 4.790 . 4.790 4.615 4.431 4.750 . 0 0 "[ . 1 . 2 . 3]" 1
50 1 20 CYS H 1 20 CYS HB2 3.570 . 3.570 2.689 2.277 3.568 . 0 0 "[ . 1 . 2 . 3]" 1
51 1 20 CYS H 1 20 CYS HB3 3.570 . 3.570 2.793 2.419 3.606 0.036 9 0 "[ . 1 . 2 . 3]" 1
52 2 19 CYS H 2 19 CYS HB3 3.490 . 3.490 2.999 2.707 3.582 0.092 7 0 "[ . 1 . 2 . 3]" 1
53 2 19 CYS H 2 19 CYS HB2 3.310 . 3.310 2.716 2.323 2.905 . 0 0 "[ . 1 . 2 . 3]" 1
54 2 18 VAL HA 2 19 CYS H 3.540 . 3.540 3.554 3.531 3.574 0.034 11 0 "[ . 1 . 2 . 3]" 1
55 2 18 VAL H 2 18 VAL HB 3.330 . 3.330 2.669 2.534 2.783 . 0 0 "[ . 1 . 2 . 3]" 1
56 2 18 VAL HB 2 19 CYS H 4.120 . 4.120 4.109 4.022 4.157 0.037 28 0 "[ . 1 . 2 . 3]" 1
57 2 18 VAL MG1 2 19 CYS H 3.440 . 3.440 2.329 2.244 2.392 . 0 0 "[ . 1 . 2 . 3]" 1
58 2 18 VAL MG2 2 19 CYS H 3.820 . 3.820 3.774 3.635 3.876 0.056 27 0 "[ . 1 . 2 . 3]" 1
59 2 18 VAL H 2 18 VAL MG1 3.060 . 3.060 2.014 1.917 2.126 . 0 0 "[ . 1 . 2 . 3]" 1
60 2 18 VAL H 2 18 VAL MG2 3.960 . 3.960 3.824 3.783 3.861 . 0 0 "[ . 1 . 2 . 3]" 1
61 2 17 LEU H 2 17 LEU HB3 3.890 . 3.890 3.588 3.567 3.622 . 0 0 "[ . 1 . 2 . 3]" 1
62 2 17 LEU H 2 17 LEU HB2 3.740 . 3.740 2.372 2.302 2.417 . 0 0 "[ . 1 . 2 . 3]" 1
63 2 17 LEU HB2 2 18 VAL H 3.760 . 3.760 2.690 2.609 2.791 . 0 0 "[ . 1 . 2 . 3]" 1
64 2 17 LEU HB3 2 18 VAL H 3.990 . 3.990 3.597 3.498 3.717 . 0 0 "[ . 1 . 2 . 3]" 1
65 2 14 ALA HA 2 17 LEU H 3.990 . 3.990 3.326 3.250 3.457 . 0 0 "[ . 1 . 2 . 3]" 1
66 2 16 TYR QB 2 17 LEU H 3.670 . 3.670 2.636 2.504 2.754 . 0 0 "[ . 1 . 2 . 3]" 1
67 2 16 TYR H 2 16 TYR QB 2.690 . 2.690 2.215 2.161 2.259 . 0 0 "[ . 1 . 2 . 3]" 1
68 2 12 VAL H 2 12 VAL HB 3.560 . 3.560 2.563 2.140 2.646 . 0 0 "[ . 1 . 2 . 3]" 1
69 2 12 VAL MG2 2 13 GLU H 3.910 . 3.910 3.904 3.828 4.179 0.269 26 0 "[ . 1 . 2 . 3]" 1
70 2 12 VAL MG1 2 13 GLU H 3.910 . 3.910 3.384 2.374 3.662 . 0 0 "[ . 1 . 2 . 3]" 1
71 2 12 VAL HB 2 13 GLU H 3.990 . 3.990 2.763 2.570 4.023 0.033 27 0 "[ . 1 . 2 . 3]" 1
72 2 13 GLU H 2 13 GLU HB2 3.270 . 3.270 2.273 2.186 2.356 . 0 0 "[ . 1 . 2 . 3]" 1
73 2 13 GLU H 2 13 GLU QG 3.290 . 3.290 2.624 2.513 2.758 . 0 0 "[ . 1 . 2 . 3]" 1
74 2 13 GLU H 2 13 GLU HB3 3.700 . 3.700 3.557 3.515 3.591 . 0 0 "[ . 1 . 2 . 3]" 1
75 2 13 GLU QG 2 14 ALA H 4.370 . 4.370 4.314 4.254 4.374 0.004 27 0 "[ . 1 . 2 . 3]" 1
76 2 13 GLU HB3 2 14 ALA H 3.420 . 3.420 3.325 3.211 3.412 . 0 0 "[ . 1 . 2 . 3]" 1
77 2 13 GLU HB2 2 14 ALA H 3.630 . 3.630 2.656 2.577 2.759 . 0 0 "[ . 1 . 2 . 3]" 1
78 2 14 ALA H 2 14 ALA MB 2.780 . 2.780 2.220 2.199 2.241 . 0 0 "[ . 1 . 2 . 3]" 1
79 2 14 ALA MB 2 15 LEU H 3.130 . 3.130 2.467 2.399 2.546 . 0 0 "[ . 1 . 2 . 3]" 1
80 2 13 GLU HA 2 16 TYR H 4.040 . 4.040 3.374 3.261 3.500 . 0 0 "[ . 1 . 2 . 3]" 1
81 2 11 LEU H 2 11 LEU HG 4.180 . 4.180 3.933 3.744 4.100 . 0 0 "[ . 1 . 2 . 3]" 1
82 2 11 LEU HG 2 12 VAL H 5.500 . 5.500 5.069 5.014 5.124 . 0 0 "[ . 1 . 2 . 3]" 1
83 2 15 LEU HG 2 25 PHE QE 5.500 . 5.500 4.535 4.189 5.044 . 0 0 "[ . 1 . 2 . 3]" 1
84 2 11 LEU HB2 2 12 VAL H 4.170 . 4.170 3.239 3.109 3.332 . 0 0 "[ . 1 . 2 . 3]" 1
85 2 11 LEU H 2 11 LEU HB2 4.070 . 4.070 2.118 2.091 2.142 . 0 0 "[ . 1 . 2 . 3]" 1
86 2 10 HIS H 2 10 HIS HB2 3.510 . 3.510 2.192 2.068 2.297 . 0 0 "[ . 1 . 2 . 3]" 1
87 2 10 HIS H 2 10 HIS HB3 3.510 . 3.510 2.978 2.796 3.223 . 0 0 "[ . 1 . 2 . 3]" 1
88 2 9 SER QB 2 10 HIS H 3.850 . 3.850 3.147 2.785 3.546 . 0 0 "[ . 1 . 2 . 3]" 1
89 1 10 ILE H 1 10 ILE MG 3.990 . 3.990 3.806 3.778 3.827 . 0 0 "[ . 1 . 2 . 3]" 1
90 1 10 ILE H 1 10 ILE MD 4.330 . 4.330 3.715 3.602 3.791 . 0 0 "[ . 1 . 2 . 3]" 1
91 2 30 THR H 2 30 THR MG 4.240 . 4.240 3.508 2.411 4.158 . 0 0 "[ . 1 . 2 . 3]" 1
92 1 10 ILE H 1 10 ILE HG13 4.830 . 4.830 3.808 3.694 3.905 . 0 0 "[ . 1 . 2 . 3]" 1
93 1 9 SER HA 1 10 ILE H 3.330 . 3.330 2.650 2.570 2.726 . 0 0 "[ . 1 . 2 . 3]" 1
94 1 9 SER HB2 1 10 ILE H 3.790 . 3.790 2.567 1.920 3.122 . 0 0 "[ . 1 . 2 . 3]" 1
95 1 9 SER HB3 1 10 ILE H 3.790 . 3.790 2.642 2.015 3.554 . 0 0 "[ . 1 . 2 . 3]" 1
96 1 17 GLU HB3 1 18 ASN H 4.010 . 4.010 3.753 3.639 3.906 . 0 0 "[ . 1 . 2 . 3]" 1
97 1 17 GLU HB2 1 18 ASN H 4.010 . 4.010 2.995 2.834 3.187 . 0 0 "[ . 1 . 2 . 3]" 1
98 1 3 VAL HA 1 7 CYS H 4.390 . 4.390 2.903 2.705 3.163 . 0 0 "[ . 1 . 2 . 3]" 1
99 1 5 GLN H 1 5 GLN HB3 3.850 . 3.850 3.148 2.533 3.734 . 0 0 "[ . 1 . 2 . 3]" 1
100 1 5 GLN H 1 5 GLN HB2 3.850 . 3.850 2.364 2.105 2.789 . 0 0 "[ . 1 . 2 . 3]" 1
101 1 5 GLN H 1 5 GLN HG3 5.500 . 5.500 4.155 2.787 4.722 . 0 0 "[ . 1 . 2 . 3]" 1
102 1 4 GLU QG 1 5 GLN H 5.500 . 5.500 4.343 4.074 4.645 . 0 0 "[ . 1 . 2 . 3]" 1
103 1 5 GLN H 1 5 GLN HG2 5.500 . 5.500 3.948 2.671 4.700 . 0 0 "[ . 1 . 2 . 3]" 1
104 1 6 CYS H 1 6 CYS HB2 4.010 . 4.010 2.438 2.266 2.723 . 0 0 "[ . 1 . 2 . 3]" 1
105 1 6 CYS HB2 1 7 CYS H 4.520 . 4.520 2.900 2.596 4.023 . 0 0 "[ . 1 . 2 . 3]" 1
106 1 6 CYS H 1 6 CYS HB3 4.010 . 4.010 3.585 2.595 3.715 . 0 0 "[ . 1 . 2 . 3]" 1
107 1 6 CYS HB3 1 7 CYS H 4.520 . 4.520 3.612 2.615 4.120 . 0 0 "[ . 1 . 2 . 3]" 1
108 1 1 GLY QA 1 2 ILE H 2.670 . 2.670 2.166 2.035 2.259 . 0 0 "[ . 1 . 2 . 3]" 1
109 1 2 ILE H 1 2 ILE HB 3.960 . 3.960 2.604 2.400 3.720 . 0 0 "[ . 1 . 2 . 3]" 1
110 1 2 ILE HB 1 3 VAL H 4.650 . 4.650 4.083 4.046 4.169 . 0 0 "[ . 1 . 2 . 3]" 1
111 1 17 GLU H 1 17 GLU HG3 3.240 . 3.240 2.522 2.328 2.978 . 0 0 "[ . 1 . 2 . 3]" 1
112 1 17 GLU H 1 17 GLU HG2 3.860 . 3.860 3.520 2.440 3.699 . 0 0 "[ . 1 . 2 . 3]" 1
113 1 4 GLU H 1 4 GLU QB 2.860 . 2.860 2.336 2.085 2.468 . 0 0 "[ . 1 . 2 . 3]" 1
114 2 22 ARG H 2 22 ARG HB2 3.700 . 3.700 2.567 2.247 3.210 . 0 0 "[ . 1 . 2 . 3]" 1
115 2 22 ARG H 2 22 ARG HB3 3.700 . 3.700 3.165 2.407 3.732 0.032 28 0 "[ . 1 . 2 . 3]" 1
116 2 21 GLU HA 2 22 ARG H 3.560 . 3.560 3.275 3.022 3.518 . 0 0 "[ . 1 . 2 . 3]" 1
117 2 22 ARG H 2 22 ARG QD 4.680 . 4.680 4.076 2.599 4.743 0.063 10 0 "[ . 1 . 2 . 3]" 1
118 2 22 ARG HB3 2 23 GLY H 4.140 . 4.140 3.198 2.271 4.148 0.008 19 0 "[ . 1 . 2 . 3]" 1
119 2 22 ARG HB2 2 23 GLY H 4.140 . 4.140 3.404 2.144 4.157 0.017 30 0 "[ . 1 . 2 . 3]" 1
120 2 21 GLU H 2 21 GLU HG2 4.040 . 4.040 3.404 2.098 3.704 . 0 0 "[ . 1 . 2 . 3]" 1
121 2 21 GLU H 2 21 GLU HG3 4.040 . 4.040 2.575 2.257 3.527 . 0 0 "[ . 1 . 2 . 3]" 1
122 2 21 GLU H 2 21 GLU HB2 3.760 . 3.760 2.451 2.302 3.646 . 0 0 "[ . 1 . 2 . 3]" 1
123 2 21 GLU H 2 21 GLU HB3 3.760 . 3.760 3.580 2.634 3.697 . 0 0 "[ . 1 . 2 . 3]" 1
124 2 25 PHE H 2 25 PHE HB2 3.420 . 3.420 2.959 2.257 3.335 . 0 0 "[ . 1 . 2 . 3]" 1
125 2 25 PHE HA 2 26 TYR H 2.820 . 2.820 2.421 2.190 2.816 . 0 0 "[ . 1 . 2 . 3]" 1
126 2 26 TYR H 2 26 TYR HB3 3.870 . 3.870 3.001 2.741 3.234 . 0 0 "[ . 1 . 2 . 3]" 1
127 2 26 TYR H 2 26 TYR HB2 3.870 . 3.870 3.740 3.641 3.886 0.016 10 0 "[ . 1 . 2 . 3]" 1
128 2 24 GLY QA 2 25 PHE H 3.020 . 3.020 2.486 2.062 2.915 . 0 0 "[ . 1 . 2 . 3]" 1
129 2 24 GLY H 2 24 GLY QA 2.600 . 2.600 2.365 2.251 2.537 . 0 0 "[ . 1 . 2 . 3]" 1
130 2 20 GLY H 2 20 GLY QA 2.760 . 2.760 2.228 2.208 2.260 . 0 0 "[ . 1 . 2 . 3]" 1
131 2 19 CYS HB3 2 20 GLY H 4.170 . 4.170 2.960 2.613 3.567 . 0 0 "[ . 1 . 2 . 3]" 1
132 2 19 CYS HB2 2 20 GLY H 3.840 . 3.840 3.687 2.784 3.906 0.066 25 0 "[ . 1 . 2 . 3]" 1
133 1 12 SER HB2 1 14 TYR H 4.300 . 4.300 3.404 2.556 4.370 0.070 30 0 "[ . 1 . 2 . 3]" 1
134 2 12 VAL HA 2 14 ALA H 5.040 . 5.040 4.454 4.208 4.537 . 0 0 "[ . 1 . 2 . 3]" 1
135 1 16 LEU H 1 16 LEU HB2 2.750 . 2.750 2.166 2.025 2.408 . 0 0 "[ . 1 . 2 . 3]" 1
136 2 14 ALA H 2 15 LEU HB2 5.190 . 5.190 4.516 4.340 4.587 . 0 0 "[ . 1 . 2 . 3]" 1
137 2 15 LEU HB3 2 20 GLY H 5.500 . 5.500 4.930 4.471 5.150 . 0 0 "[ . 1 . 2 . 3]" 1
138 1 10 ILE H 1 10 ILE HB 3.710 . 3.710 2.437 2.354 2.491 . 0 0 "[ . 1 . 2 . 3]" 1
139 1 10 ILE H 1 10 ILE HG12 4.260 . 4.260 2.535 2.381 2.635 . 0 0 "[ . 1 . 2 . 3]" 1
140 1 13 LEU H 1 13 LEU QB 2.950 . 2.950 2.450 2.332 2.579 . 0 0 "[ . 1 . 2 . 3]" 1
141 1 13 LEU QB 1 14 TYR H 3.700 . 3.700 3.534 3.428 3.591 . 0 0 "[ . 1 . 2 . 3]" 1
142 1 15 GLN H 1 15 GLN HB3 3.690 . 3.690 3.532 2.721 3.640 . 0 0 "[ . 1 . 2 . 3]" 1
143 1 15 GLN H 1 15 GLN HB2 3.690 . 3.690 2.344 2.086 2.476 . 0 0 "[ . 1 . 2 . 3]" 1
144 2 3 ASN QB 2 3 ASN HD22 3.490 . 3.490 3.282 3.218 3.341 . 0 0 "[ . 1 . 2 . 3]" 1
145 2 5 HIS HB2 2 5 HIS HD2 3.380 . 3.380 2.791 2.766 2.829 . 0 0 "[ . 1 . 2 . 3]" 1
146 2 15 LEU H 2 15 LEU HB2 2.800 . 2.800 2.034 1.967 2.110 . 0 0 "[ . 1 . 2 . 3]" 1
147 1 10 ILE MG 1 11 CYS H 4.940 . 4.940 2.643 2.496 2.882 . 0 0 "[ . 1 . 2 . 3]" 1
148 2 6 LEU H 2 6 LEU MD1 4.890 . 4.890 3.842 3.335 4.053 . 0 0 "[ . 1 . 2 . 3]" 1
149 2 6 LEU H 2 6 LEU MD2 4.890 . 4.890 4.289 3.888 4.453 . 0 0 "[ . 1 . 2 . 3]" 1
150 2 6 LEU H 2 6 LEU HG 4.880 . 4.880 3.287 2.562 3.471 . 0 0 "[ . 1 . 2 . 3]" 1
151 1 7 CYS HA 2 6 LEU H 4.440 . 4.440 3.202 2.443 4.382 . 0 0 "[ . 1 . 2 . 3]" 1
152 2 9 SER H 2 10 HIS H 3.960 . 3.960 2.758 2.688 2.820 . 0 0 "[ . 1 . 2 . 3]" 1
153 2 18 VAL H 2 19 CYS H 3.280 . 3.280 2.580 2.492 2.663 . 0 0 "[ . 1 . 2 . 3]" 1
154 2 4 GLN H 2 5 HIS H 4.480 . 4.480 4.345 4.318 4.371 . 0 0 "[ . 1 . 2 . 3]" 1
155 2 2 VAL H 2 3 ASN H 4.540 . 4.540 4.416 4.332 4.498 . 0 0 "[ . 1 . 2 . 3]" 1
156 1 2 ILE H 1 3 VAL H 3.360 . 3.360 2.794 1.873 3.025 . 0 0 "[ . 1 . 2 . 3]" 1
157 2 17 LEU H 2 18 VAL H 3.780 . 3.780 2.667 2.631 2.712 . 0 0 "[ . 1 . 2 . 3]" 1
158 2 18 VAL H 2 20 GLY H 4.430 . 4.430 4.101 3.969 4.298 . 0 0 "[ . 1 . 2 . 3]" 1
159 1 10 ILE H 2 5 HIS HE1 4.390 . 4.390 3.834 3.632 4.033 . 0 0 "[ . 1 . 2 . 3]" 1
160 2 19 CYS H 2 20 GLY H 3.190 . 3.190 2.113 2.002 2.292 . 0 0 "[ . 1 . 2 . 3]" 1
161 2 19 CYS H 2 21 GLU H 4.530 . 4.530 3.737 3.517 3.957 . 0 0 "[ . 1 . 2 . 3]" 1
162 1 12 SER H 1 15 GLN H 4.320 . 4.320 3.290 3.089 3.520 . 0 0 "[ . 1 . 2 . 3]" 1
163 1 13 LEU H 1 15 GLN H 4.960 . 4.960 4.491 4.321 4.663 . 0 0 "[ . 1 . 2 . 3]" 1
164 2 3 ASN H 2 3 ASN HD21 4.750 . 4.750 3.175 2.017 4.465 . 0 0 "[ . 1 . 2 . 3]" 1
165 1 13 LEU H 1 14 TYR H 3.340 . 3.340 2.759 2.659 2.859 . 0 0 "[ . 1 . 2 . 3]" 1
166 2 5 HIS H 2 5 HIS HD2 3.420 . 3.420 2.967 2.839 3.097 . 0 0 "[ . 1 . 2 . 3]" 1
167 1 2 ILE H 1 19 TYR QD 5.290 . 5.290 4.354 3.675 5.372 0.082 30 0 "[ . 1 . 2 . 3]" 1
168 2 1 PHE QD 2 3 ASN H 4.820 . 4.820 3.751 3.515 3.949 . 0 0 "[ . 1 . 2 . 3]" 1
169 2 3 ASN H 2 3 ASN HD22 4.750 . 4.750 3.684 3.151 4.297 . 0 0 "[ . 1 . 2 . 3]" 1
170 1 2 ILE H 1 19 TYR QE 4.630 . 4.630 3.595 2.848 4.623 . 0 0 "[ . 1 . 2 . 3]" 1
171 1 13 LEU H 2 3 ASN HA 4.970 . 4.970 4.526 4.241 4.793 . 0 0 "[ . 1 . 2 . 3]" 1
172 1 9 SER HA 2 5 HIS HE1 3.010 . 3.010 2.156 2.075 2.280 . 0 0 "[ . 1 . 2 . 3]" 1
173 2 5 HIS HA 2 5 HIS HE1 5.170 . 5.170 4.892 4.833 4.965 . 0 0 "[ . 1 . 2 . 3]" 1
174 1 9 SER HB2 2 5 HIS HE1 4.900 . 4.900 4.793 4.368 4.962 0.062 28 0 "[ . 1 . 2 . 3]" 1
175 1 9 SER HB3 2 5 HIS HE1 4.900 . 4.900 4.431 4.290 4.635 . 0 0 "[ . 1 . 2 . 3]" 1
176 2 16 TYR HA 2 19 CYS H 4.340 . 4.340 3.615 3.533 3.731 . 0 0 "[ . 1 . 2 . 3]" 1
177 2 17 LEU HA 2 19 CYS H 4.610 . 4.610 4.623 4.568 4.672 0.062 29 0 "[ . 1 . 2 . 3]" 1
178 2 15 LEU HA 2 19 CYS H 3.950 . 3.950 3.763 3.641 3.892 . 0 0 "[ . 1 . 2 . 3]" 1
179 1 5 GLN H 1 8 THR HB 4.740 . 4.740 4.767 4.348 4.912 0.172 22 0 "[ . 1 . 2 . 3]" 1
180 1 7 CYS H 1 8 THR HB 5.260 . 5.260 4.621 4.465 4.823 . 0 0 "[ . 1 . 2 . 3]" 1
181 2 7 CYS H 2 10 HIS HB2 3.870 . 3.870 3.696 3.222 3.912 0.042 23 0 "[ . 1 . 2 . 3]" 1
182 2 7 CYS H 2 10 HIS HB3 3.870 . 3.870 2.476 2.252 2.690 . 0 0 "[ . 1 . 2 . 3]" 1
183 1 7 CYS HB3 1 8 THR H 4.950 . 4.950 2.957 2.244 3.995 . 0 0 "[ . 1 . 2 . 3]" 1
184 2 6 LEU QB 2 7 CYS H 4.510 . 4.510 3.014 2.865 3.129 . 0 0 "[ . 1 . 2 . 3]" 1
185 2 6 LEU HG 2 7 CYS H 4.770 . 4.770 4.804 4.740 4.835 0.065 12 0 "[ . 1 . 2 . 3]" 1
186 1 3 VAL MG1 1 7 CYS H 5.500 . 5.500 3.987 3.611 5.154 . 0 0 "[ . 1 . 2 . 3]" 1
187 2 6 LEU MD1 2 7 CYS H 5.060 . 5.060 5.049 4.885 5.117 0.057 30 0 "[ . 1 . 2 . 3]" 1
188 1 3 VAL MG2 1 7 CYS H 5.500 . 5.500 4.574 3.547 5.002 . 0 0 "[ . 1 . 2 . 3]" 1
189 1 6 CYS H 2 11 LEU MD1 4.750 . 4.750 3.901 3.693 4.232 . 0 0 "[ . 1 . 2 . 3]" 1
190 1 7 CYS H 2 11 LEU MD1 4.900 . 4.900 3.618 3.422 3.831 . 0 0 "[ . 1 . 2 . 3]" 1
191 1 2 ILE MG 1 5 GLN H 5.500 . 5.500 5.009 4.803 5.167 . 0 0 "[ . 1 . 2 . 3]" 1
192 1 6 CYS H 2 11 LEU MD2 5.500 . 5.500 4.783 4.499 5.180 . 0 0 "[ . 1 . 2 . 3]" 1
193 2 6 LEU MD2 2 7 CYS H 5.060 . 5.060 3.471 3.368 3.627 . 0 0 "[ . 1 . 2 . 3]" 1
194 1 7 CYS H 2 11 LEU HG 5.240 . 5.240 5.099 4.891 5.268 0.028 17 0 "[ . 1 . 2 . 3]" 1
195 1 8 THR MG 2 5 HIS HE1 5.500 . 5.500 4.638 4.481 4.972 . 0 0 "[ . 1 . 2 . 3]" 1
196 1 10 ILE HG12 2 5 HIS HE1 3.730 . 3.730 3.497 3.377 3.583 . 0 0 "[ . 1 . 2 . 3]" 1
197 1 2 ILE H 1 2 ILE MG 2.920 . 2.920 2.205 1.995 2.744 . 0 0 "[ . 1 . 2 . 3]" 1
198 1 2 ILE H 1 2 ILE MD 4.600 . 4.600 4.217 4.011 4.592 . 0 0 "[ . 1 . 2 . 3]" 1
199 1 13 LEU H 1 13 LEU MD2 3.880 . 3.880 2.096 1.753 2.798 . 0 0 "[ . 1 . 2 . 3]" 1
200 1 13 LEU H 1 13 LEU MD1 4.080 . 4.080 4.005 3.909 4.068 . 0 0 "[ . 1 . 2 . 3]" 1
201 1 10 ILE MG 2 5 HIS H 4.790 . 4.790 4.502 4.379 4.670 . 0 0 "[ . 1 . 2 . 3]" 1
202 1 10 ILE MD 2 5 HIS H 4.090 . 4.090 2.898 2.765 3.047 . 0 0 "[ . 1 . 2 . 3]" 1
203 1 10 ILE MD 2 5 HIS HE1 3.540 . 3.540 3.612 3.564 3.681 0.141 27 0 "[ . 1 . 2 . 3]" 1
204 1 10 ILE HG13 2 5 HIS HE1 5.230 . 5.230 5.175 5.045 5.263 0.033 26 0 "[ . 1 . 2 . 3]" 1
205 2 15 LEU MD2 2 19 CYS H 5.250 . 5.250 3.836 3.564 4.145 . 0 0 "[ . 1 . 2 . 3]" 1
206 1 13 LEU H 1 14 TYR HB2 5.160 . 5.160 4.919 4.798 5.103 . 0 0 "[ . 1 . 2 . 3]" 1
207 1 13 LEU H 2 3 ASN QB 4.790 . 4.790 3.925 3.610 4.378 . 0 0 "[ . 1 . 2 . 3]" 1
208 2 17 LEU HG 2 18 VAL H 4.980 . 4.980 4.533 4.452 4.612 . 0 0 "[ . 1 . 2 . 3]" 1
209 1 10 ILE MG 2 4 GLN H 3.800 . 3.800 3.109 2.857 3.338 . 0 0 "[ . 1 . 2 . 3]" 1
210 1 10 ILE MD 2 4 GLN H 4.560 . 4.560 4.033 3.882 4.183 . 0 0 "[ . 1 . 2 . 3]" 1
211 1 10 ILE MG 2 3 ASN H 5.100 . 5.100 4.965 4.818 5.074 . 0 0 "[ . 1 . 2 . 3]" 1
212 2 2 VAL QG 2 4 GLN H 4.620 . 4.620 4.350 4.043 4.642 0.022 29 0 "[ . 1 . 2 . 3]" 1
213 1 2 ILE MG 1 3 VAL H 2.940 . 2.940 2.282 2.144 2.488 . 0 0 "[ . 1 . 2 . 3]" 1
214 2 15 LEU H 2 15 LEU MD1 4.290 . 4.290 3.903 3.692 4.028 . 0 0 "[ . 1 . 2 . 3]" 1
215 2 15 LEU H 2 18 VAL MG1 4.350 . 4.350 4.125 4.080 4.161 . 0 0 "[ . 1 . 2 . 3]" 1
216 2 16 TYR H 2 18 VAL MG1 4.760 . 4.760 4.306 4.235 4.400 . 0 0 "[ . 1 . 2 . 3]" 1
217 1 17 GLU H 2 18 VAL MG1 4.770 . 4.770 3.843 3.662 4.077 . 0 0 "[ . 1 . 2 . 3]" 1
218 1 13 LEU QB 1 16 LEU H 5.400 . 5.400 4.753 4.616 4.928 . 0 0 "[ . 1 . 2 . 3]" 1
219 2 11 LEU HB3 2 15 LEU H 5.500 . 5.500 5.148 4.951 5.260 . 0 0 "[ . 1 . 2 . 3]" 1
220 2 15 LEU H 2 15 LEU HG 3.880 . 3.880 3.608 3.245 3.887 0.007 22 0 "[ . 1 . 2 . 3]" 1
221 1 8 THR H 1 8 THR MG 4.250 . 4.250 3.765 3.710 3.854 . 0 0 "[ . 1 . 2 . 3]" 1
222 2 7 CYS H 2 11 LEU HG 4.980 . 4.980 3.884 3.615 4.202 . 0 0 "[ . 1 . 2 . 3]" 1
223 1 19 TYR H 2 15 LEU MD2 4.220 . 4.220 3.884 3.656 4.227 0.007 20 0 "[ . 1 . 2 . 3]" 1
224 1 2 ILE MD 1 19 TYR H 5.500 . 5.500 4.763 4.473 5.050 . 0 0 "[ . 1 . 2 . 3]" 1
225 1 19 TYR H 2 15 LEU MD1 5.500 . 5.500 5.031 4.642 5.539 0.039 7 0 "[ . 1 . 2 . 3]" 1
226 2 6 LEU MD1 2 14 ALA H 4.710 . 4.710 4.279 3.958 4.434 . 0 0 "[ . 1 . 2 . 3]" 1
227 2 14 ALA H 2 17 LEU QD 5.180 . 5.180 4.203 4.033 4.469 . 0 0 "[ . 1 . 2 . 3]" 1
228 2 6 LEU MD2 2 14 ALA H 4.710 . 4.710 3.745 3.523 4.124 . 0 0 "[ . 1 . 2 . 3]" 1
229 2 15 LEU MD2 2 20 GLY H 5.130 . 5.130 4.389 3.923 5.033 . 0 0 "[ . 1 . 2 . 3]" 1
230 2 17 LEU H 2 17 LEU QD 4.220 . 4.220 3.155 3.105 3.219 . 0 0 "[ . 1 . 2 . 3]" 1
231 2 18 VAL MG1 2 20 GLY H 4.630 . 4.630 3.967 3.803 4.181 . 0 0 "[ . 1 . 2 . 3]" 1
232 2 14 ALA MB 2 17 LEU H 4.430 . 4.430 4.522 4.479 4.604 0.174 30 0 "[ . 1 . 2 . 3]" 1
233 2 13 GLU H 2 14 ALA MB 4.670 . 4.670 4.443 4.384 4.509 . 0 0 "[ . 1 . 2 . 3]" 1
234 1 10 ILE MG 2 3 ASN HD21 4.940 . 4.940 3.492 1.902 4.939 . 0 0 "[ . 1 . 2 . 3]" 1
235 1 13 LEU MD2 1 14 TYR H 4.490 . 4.490 3.284 2.708 3.846 . 0 0 "[ . 1 . 2 . 3]" 1
236 1 13 LEU MD1 1 14 TYR H 4.380 . 4.380 3.728 3.092 4.145 . 0 0 "[ . 1 . 2 . 3]" 1
237 2 6 LEU MD2 2 10 HIS HD2 5.500 . 5.500 3.491 3.245 3.748 . 0 0 "[ . 1 . 2 . 3]" 1
238 1 2 ILE MD 1 19 TYR QD 3.450 . 3.450 2.663 2.183 2.902 . 0 0 "[ . 1 . 2 . 3]" 1
239 2 15 LEU MD1 2 25 PHE QE 4.320 . 4.320 2.878 2.085 3.597 . 0 0 "[ . 1 . 2 . 3]" 1
240 2 15 LEU MD1 2 25 PHE QD 4.530 . 4.530 4.427 3.652 4.775 0.245 30 0 "[ . 1 . 2 . 3]" 1
241 1 10 ILE MG 2 5 HIS HD2 5.350 . 5.350 5.405 5.356 5.484 0.134 30 0 "[ . 1 . 2 . 3]" 1
242 1 10 ILE MD 2 5 HIS HD2 3.680 . 3.680 2.668 2.534 2.784 . 0 0 "[ . 1 . 2 . 3]" 1
243 1 2 ILE HB 1 19 TYR QE 4.400 . 4.400 3.442 2.987 3.907 . 0 0 "[ . 1 . 2 . 3]" 1
244 1 2 ILE QG 1 19 TYR QE 4.520 . 4.520 4.177 2.627 4.751 0.231 30 0 "[ . 1 . 2 . 3]" 1
245 2 16 TYR QE 2 17 LEU QD 3.440 . 3.440 3.127 2.743 3.569 0.129 21 0 "[ . 1 . 2 . 3]" 1
246 1 2 ILE MG 1 19 TYR QE 4.740 . 4.740 4.536 4.217 4.868 0.128 4 0 "[ . 1 . 2 . 3]" 1
247 1 2 ILE MD 1 19 TYR QE 3.810 . 3.810 3.083 2.701 3.795 . 0 0 "[ . 1 . 2 . 3]" 1
248 2 12 VAL MG2 2 26 TYR QE 5.440 . 5.440 4.180 3.555 4.691 . 0 0 "[ . 1 . 2 . 3]" 1
249 2 15 LEU MD1 2 26 TYR QE 4.680 . 4.680 2.267 2.001 2.704 . 0 0 "[ . 1 . 2 . 3]" 1
250 2 2 VAL QG 2 4 GLN HE22 4.330 . 4.330 3.016 2.532 3.603 . 0 0 "[ . 1 . 2 . 3]" 1
251 2 15 LEU MD1 2 26 TYR QD 4.960 . 4.960 4.216 3.748 4.563 . 0 0 "[ . 1 . 2 . 3]" 1
252 1 10 ILE MG 2 3 ASN HD22 4.940 . 4.940 3.924 3.113 4.746 . 0 0 "[ . 1 . 2 . 3]" 1
253 1 13 LEU MD1 1 14 TYR QD 5.150 . 5.150 4.689 3.840 5.295 0.145 7 0 "[ . 1 . 2 . 3]" 1
254 1 16 LEU MD2 1 19 TYR QD 4.390 . 4.390 4.003 2.137 4.870 0.480 24 0 "[ . 1 . 2 . 3]" 1
255 2 11 LEU H 2 11 LEU MD1 4.630 . 4.630 4.112 4.066 4.155 . 0 0 "[ . 1 . 2 . 3]" 1
256 1 13 LEU MD2 2 1 PHE QD 3.890 . 3.890 2.624 2.367 3.030 . 0 0 "[ . 1 . 2 . 3]" 1
257 1 19 TYR QD 2 15 LEU MD2 4.190 . 4.190 4.071 3.485 4.417 0.227 3 0 "[ . 1 . 2 . 3]" 1
258 2 15 LEU MD2 2 25 PHE QD 5.090 . 5.090 3.383 2.444 4.135 . 0 0 "[ . 1 . 2 . 3]" 1
259 2 15 LEU MD2 2 25 PHE QE 4.200 . 4.200 2.605 2.072 3.938 . 0 0 "[ . 1 . 2 . 3]" 1
260 1 16 LEU MD1 1 19 TYR QD 4.390 . 4.390 3.349 2.614 4.828 0.438 29 0 "[ . 1 . 2 . 3]" 1
261 2 1 PHE QE 2 18 VAL MG1 4.450 . 4.450 3.120 2.670 3.421 . 0 0 "[ . 1 . 2 . 3]" 1
262 1 16 LEU MD1 2 1 PHE QE 4.880 . 4.880 3.678 2.030 4.540 . 0 0 "[ . 1 . 2 . 3]" 1
263 2 2 VAL QG 2 4 GLN HE21 4.330 . 4.330 2.680 2.117 3.333 . 0 0 "[ . 1 . 2 . 3]" 1
264 1 13 LEU MD2 2 1 PHE QE 4.350 . 4.350 3.625 3.272 4.305 . 0 0 "[ . 1 . 2 . 3]" 1
265 1 16 LEU MD2 2 1 PHE QE 4.880 . 4.880 3.073 2.137 4.579 . 0 0 "[ . 1 . 2 . 3]" 1
266 1 2 ILE QG 1 19 TYR QD 4.490 . 4.490 3.997 2.649 4.432 . 0 0 "[ . 1 . 2 . 3]" 1
267 2 1 PHE QD 2 2 VAL QG 4.390 . 4.390 4.161 4.064 4.344 . 0 0 "[ . 1 . 2 . 3]" 1
268 2 16 TYR QD 2 17 LEU QD 3.250 . 3.250 2.813 2.500 2.999 . 0 0 "[ . 1 . 2 . 3]" 1
269 1 13 LEU QB 2 1 PHE QD 5.000 . 5.000 2.986 2.809 3.138 . 0 0 "[ . 1 . 2 . 3]" 1
270 2 11 LEU HB3 2 12 VAL H 5.190 . 5.190 2.641 2.492 2.763 . 0 0 "[ . 1 . 2 . 3]" 1
271 1 2 ILE HB 1 19 TYR QD 4.650 . 4.650 3.122 2.814 3.534 . 0 0 "[ . 1 . 2 . 3]" 1
272 1 16 LEU HB3 1 19 TYR QD 4.730 . 4.730 4.265 3.812 4.445 . 0 0 "[ . 1 . 2 . 3]" 1
273 2 15 LEU HB3 2 25 PHE QD 4.630 . 4.630 4.064 2.974 4.466 . 0 0 "[ . 1 . 2 . 3]" 1
274 2 16 TYR QD 2 17 LEU HG 3.950 . 3.950 2.598 2.289 2.980 . 0 0 "[ . 1 . 2 . 3]" 1
275 2 22 ARG HB3 2 22 ARG HE 4.400 . 4.400 3.352 2.177 4.394 . 0 0 "[ . 1 . 2 . 3]" 1
276 2 22 ARG HB2 2 22 ARG HE 4.400 . 4.400 3.458 2.117 4.404 0.004 21 0 "[ . 1 . 2 . 3]" 1
277 1 16 LEU H 1 16 LEU HG 4.080 . 4.080 3.906 2.693 4.194 0.114 30 0 "[ . 1 . 2 . 3]" 1
278 2 22 ARG H 2 22 ARG HG2 5.430 . 5.430 4.335 2.743 5.051 . 0 0 "[ . 1 . 2 . 3]" 1
279 2 22 ARG H 2 22 ARG HG3 5.430 . 5.430 4.284 2.347 5.032 . 0 0 "[ . 1 . 2 . 3]" 1
280 2 17 LEU H 2 17 LEU HG 3.930 . 3.930 2.449 2.326 2.574 . 0 0 "[ . 1 . 2 . 3]" 1
281 1 17 GLU HB3 1 19 TYR H 5.500 . 5.500 5.136 4.936 5.289 . 0 0 "[ . 1 . 2 . 3]" 1
282 2 14 ALA H 2 17 LEU HB2 5.390 . 5.390 5.307 5.201 5.382 . 0 0 "[ . 1 . 2 . 3]" 1
283 1 17 GLU HB2 1 19 TYR H 5.500 . 5.500 4.995 4.867 5.121 . 0 0 "[ . 1 . 2 . 3]" 1
284 2 17 LEU H 2 18 VAL HB 5.500 . 5.500 5.165 5.013 5.313 . 0 0 "[ . 1 . 2 . 3]" 1
285 1 4 GLU H 1 4 GLU QG 3.790 . 3.790 2.522 2.215 3.297 . 0 0 "[ . 1 . 2 . 3]" 1
286 1 16 LEU H 1 16 LEU HB3 3.910 . 3.910 3.486 3.404 3.616 . 0 0 "[ . 1 . 2 . 3]" 1
287 1 16 LEU HB3 1 17 GLU H 4.080 . 4.080 3.270 3.104 3.685 . 0 0 "[ . 1 . 2 . 3]" 1
288 1 16 LEU HB2 1 19 TYR QE 5.500 . 5.500 5.583 5.315 5.745 0.245 28 0 "[ . 1 . 2 . 3]" 1
289 2 26 TYR QE 2 28 PRO QG 4.760 . 4.760 2.712 2.350 3.220 . 0 0 "[ . 1 . 2 . 3]" 1
290 1 5 GLN HB2 1 19 TYR QE 4.730 . 4.730 4.004 3.513 4.455 . 0 0 "[ . 1 . 2 . 3]" 1
291 1 5 GLN HB3 1 19 TYR QE 4.730 . 4.730 3.936 3.269 4.416 . 0 0 "[ . 1 . 2 . 3]" 1
292 2 1 PHE QE 2 18 VAL HB 5.340 . 5.340 3.034 2.639 3.449 . 0 0 "[ . 1 . 2 . 3]" 1
293 2 1 PHE QE 2 17 LEU HB2 4.400 . 4.400 4.086 3.638 4.399 . 0 0 "[ . 1 . 2 . 3]" 1
294 2 1 PHE QE 2 3 ASN QB 4.540 . 4.540 3.509 3.266 3.622 . 0 0 "[ . 1 . 2 . 3]" 1
295 2 19 CYS HB2 2 25 PHE QE 5.500 . 5.500 5.211 3.666 5.542 0.042 6 0 "[ . 1 . 2 . 3]" 1
296 2 19 CYS HB2 2 25 PHE QD 5.050 . 5.050 4.708 3.181 5.182 0.132 18 0 "[ . 1 . 2 . 3]" 1
297 2 26 TYR QE 2 28 PRO HA 4.800 . 4.800 4.108 3.426 4.636 . 0 0 "[ . 1 . 2 . 3]" 1
298 1 15 GLN HA 1 18 ASN HD22 4.190 . 4.190 3.181 2.687 3.699 . 0 0 "[ . 1 . 2 . 3]" 1
299 2 25 PHE QD 2 28 PRO QD 4.430 . 4.430 4.148 3.725 4.537 0.107 27 0 "[ . 1 . 2 . 3]" 1
300 2 26 TYR QD 2 28 PRO QD 4.200 . 4.200 3.227 2.897 3.507 . 0 0 "[ . 1 . 2 . 3]" 1
301 2 26 TYR QE 2 28 PRO QD 4.250 . 4.250 2.568 2.375 2.802 . 0 0 "[ . 1 . 2 . 3]" 1
302 2 10 HIS HB3 2 11 LEU H 4.910 . 4.910 2.826 2.709 2.964 . 0 0 "[ . 1 . 2 . 3]" 1
303 2 19 CYS HB3 2 25 PHE QD 4.400 . 4.400 3.378 2.920 4.245 . 0 0 "[ . 1 . 2 . 3]" 1
304 2 25 PHE QE 2 28 PRO QD 4.570 . 4.570 2.783 2.346 3.345 . 0 0 "[ . 1 . 2 . 3]" 1
305 1 19 TYR HB2 1 20 CYS H 4.250 . 4.250 3.521 3.298 3.861 . 0 0 "[ . 1 . 2 . 3]" 1
306 1 17 GLU HG2 1 18 ASN H 5.190 . 5.190 5.147 4.635 5.237 0.047 1 0 "[ . 1 . 2 . 3]" 1
307 2 13 GLU QG 2 16 TYR QD 4.770 . 4.770 4.555 4.036 4.838 0.068 19 0 "[ . 1 . 2 . 3]" 1
308 2 19 CYS HB3 2 21 GLU H 5.180 . 5.180 5.117 4.943 5.242 0.062 11 0 "[ . 1 . 2 . 3]" 1
309 2 13 GLU H 2 16 TYR QB 4.950 . 4.950 4.691 4.548 4.806 . 0 0 "[ . 1 . 2 . 3]" 1
310 2 16 TYR QB 2 20 GLY H 4.510 . 4.510 4.230 4.149 4.310 . 0 0 "[ . 1 . 2 . 3]" 1
311 2 12 VAL HA 2 15 LEU H 3.750 . 3.750 3.440 3.191 3.559 . 0 0 "[ . 1 . 2 . 3]" 1
312 1 14 TYR HB3 1 16 LEU H 5.100 . 5.100 4.827 4.701 4.940 . 0 0 "[ . 1 . 2 . 3]" 1
313 2 16 TYR QE 2 21 GLU HA 5.310 . 5.310 4.208 3.629 4.725 . 0 0 "[ . 1 . 2 . 3]" 1
314 1 16 LEU HA 1 19 TYR QE 3.540 . 3.540 3.274 3.046 3.506 . 0 0 "[ . 1 . 2 . 3]" 1
315 2 16 TYR QE 2 17 LEU HA 4.570 . 4.570 4.156 3.893 4.392 . 0 0 "[ . 1 . 2 . 3]" 1
316 1 1 GLY QA 1 19 TYR QE 4.380 . 4.380 3.678 2.538 4.437 0.057 7 0 "[ . 1 . 2 . 3]" 1
317 1 2 ILE HA 1 19 TYR QE 4.250 . 4.250 3.182 2.585 3.698 . 0 0 "[ . 1 . 2 . 3]" 1
318 2 26 TYR HA 2 26 TYR QD 3.810 . 3.810 3.765 3.746 3.784 . 0 0 "[ . 1 . 2 . 3]" 1
319 2 26 TYR QD 2 28 PRO HA 4.430 . 4.430 3.891 3.590 4.232 . 0 0 "[ . 1 . 2 . 3]" 1
320 2 3 ASN HA 2 3 ASN HD22 5.150 . 5.150 5.175 5.129 5.230 0.080 10 0 "[ . 1 . 2 . 3]" 1
321 2 1 PHE QD 2 3 ASN HA 4.290 . 4.290 3.814 3.481 4.078 . 0 0 "[ . 1 . 2 . 3]" 1
322 2 25 PHE HA 2 25 PHE QE 4.330 . 4.330 4.246 4.148 4.373 0.043 7 0 "[ . 1 . 2 . 3]" 1
323 1 20 CYS HA 2 25 PHE QD 5.500 . 5.500 4.756 3.742 5.516 0.016 9 0 "[ . 1 . 2 . 3]" 1
324 2 25 PHE HA 2 25 PHE QD 3.370 . 3.370 2.181 2.007 2.636 . 0 0 "[ . 1 . 2 . 3]" 1
325 2 1 PHE QE 2 3 ASN HA 3.860 . 3.860 2.550 2.321 2.766 . 0 0 "[ . 1 . 2 . 3]" 1
326 1 12 SER HA 2 1 PHE QE 4.330 . 4.330 2.390 2.066 2.786 . 0 0 "[ . 1 . 2 . 3]" 1
327 2 1 PHE HZ 2 3 ASN HA 4.770 . 4.770 4.583 4.455 4.715 . 0 0 "[ . 1 . 2 . 3]" 1
328 2 4 GLN HA 2 5 HIS HD2 4.480 . 4.480 4.506 4.480 4.558 0.078 29 0 "[ . 1 . 2 . 3]" 1
329 2 5 HIS HA 2 5 HIS HD2 4.630 . 4.630 4.362 4.275 4.435 . 0 0 "[ . 1 . 2 . 3]" 1
330 2 10 HIS HA 2 10 HIS HD2 3.330 . 3.330 2.064 2.004 2.135 . 0 0 "[ . 1 . 2 . 3]" 1
331 1 12 SER HA 1 14 TYR H 4.320 . 4.320 4.278 4.154 4.366 0.046 30 0 "[ . 1 . 2 . 3]" 1
332 1 12 SER HA 1 15 GLN H 5.130 . 5.130 4.788 4.649 4.929 . 0 0 "[ . 1 . 2 . 3]" 1
333 1 12 SER HB3 1 14 TYR H 4.300 . 4.300 3.125 2.656 4.336 0.036 22 0 "[ . 1 . 2 . 3]" 1
334 1 15 GLN HA 1 18 ASN H 3.960 . 3.960 3.495 3.269 3.760 . 0 0 "[ . 1 . 2 . 3]" 1
335 1 13 LEU HA 2 1 PHE QE 4.750 . 4.750 3.404 3.167 3.624 . 0 0 "[ . 1 . 2 . 3]" 1
336 2 20 GLY QA 2 25 PHE QE 5.190 . 5.190 4.083 3.614 4.742 . 0 0 "[ . 1 . 2 . 3]" 1
337 1 15 GLN HA 1 18 ASN HD21 4.190 . 4.190 2.343 1.870 3.016 . 0 0 "[ . 1 . 2 . 3]" 1
338 1 14 TYR QD 1 15 GLN HA 4.190 . 4.190 3.399 3.073 3.786 . 0 0 "[ . 1 . 2 . 3]" 1
339 2 16 TYR HA 2 16 TYR QD 3.130 . 3.130 2.760 2.623 2.865 . 0 0 "[ . 1 . 2 . 3]" 1
340 2 16 TYR QD 2 17 LEU HA 3.440 . 3.440 3.265 3.009 3.471 0.031 7 0 "[ . 1 . 2 . 3]" 1
341 2 16 TYR QD 2 20 GLY QA 3.970 . 3.970 2.350 2.190 2.594 . 0 0 "[ . 1 . 2 . 3]" 1
342 2 25 PHE QD 2 26 TYR HA 5.070 . 5.070 4.981 4.735 5.126 0.056 14 0 "[ . 1 . 2 . 3]" 1
343 2 10 HIS HA 2 13 GLU H 3.980 . 3.980 3.332 3.207 3.570 . 0 0 "[ . 1 . 2 . 3]" 1
344 2 19 CYS HA 2 21 GLU H 4.530 . 4.530 4.214 3.922 4.537 0.007 6 0 "[ . 1 . 2 . 3]" 1
345 2 19 CYS HA 2 22 ARG H 4.470 . 4.470 3.468 3.108 3.896 . 0 0 "[ . 1 . 2 . 3]" 1
346 1 16 LEU HA 1 19 TYR H 4.070 . 4.070 3.462 3.101 3.681 . 0 0 "[ . 1 . 2 . 3]" 1
347 1 17 GLU HA 1 19 TYR H 4.480 . 4.480 3.777 3.498 4.042 . 0 0 "[ . 1 . 2 . 3]" 1
348 2 16 TYR HA 2 20 GLY H 4.340 . 4.340 2.218 2.080 2.315 . 0 0 "[ . 1 . 2 . 3]" 1
349 2 20 GLY QA 2 22 ARG H 4.150 . 4.150 3.414 3.230 3.738 . 0 0 "[ . 1 . 2 . 3]" 1
350 2 16 TYR HA 2 25 PHE QE 4.260 . 4.260 3.342 2.577 4.113 . 0 0 "[ . 1 . 2 . 3]" 1
351 2 1 PHE QD 2 2 VAL HA 4.120 . 4.120 3.195 2.960 3.544 . 0 0 "[ . 1 . 2 . 3]" 1
352 2 9 SER HA 2 12 VAL H 4.560 . 4.560 3.109 3.013 3.252 . 0 0 "[ . 1 . 2 . 3]" 1
353 1 16 LEU HA 1 19 TYR QD 2.940 . 2.940 1.861 1.749 2.034 . 0 0 "[ . 1 . 2 . 3]" 1
354 2 1 PHE QE 2 14 ALA HA 4.810 . 4.810 3.267 2.984 3.408 . 0 0 "[ . 1 . 2 . 3]" 1
355 2 25 PHE HA 2 26 TYR QD 4.860 . 4.860 3.359 3.004 3.623 . 0 0 "[ . 1 . 2 . 3]" 1
356 1 16 LEU HB2 1 19 TYR QD 4.940 . 4.940 4.676 4.510 4.806 . 0 0 "[ . 1 . 2 . 3]" 1
357 1 18 ASN H 1 18 ASN HD22 4.650 . 4.650 3.929 3.617 4.270 . 0 0 "[ . 1 . 2 . 3]" 1
358 1 14 TYR H 1 14 TYR QD 4.560 . 4.560 4.165 4.111 4.205 . 0 0 "[ . 1 . 2 . 3]" 1
359 1 14 TYR QD 1 15 GLN H 4.360 . 4.360 3.570 3.268 3.782 . 0 0 "[ . 1 . 2 . 3]" 1
360 1 18 ASN H 1 18 ASN HD21 4.650 . 4.650 3.105 2.222 3.898 . 0 0 "[ . 1 . 2 . 3]" 1
361 1 19 TYR H 1 20 CYS H 3.070 . 3.070 2.359 2.242 2.524 . 0 0 "[ . 1 . 2 . 3]" 1
362 1 19 TYR H 1 19 TYR QD 3.370 . 3.370 2.720 2.337 3.380 0.010 6 0 "[ . 1 . 2 . 3]" 1
363 2 25 PHE H 2 25 PHE QD 4.510 . 4.510 4.055 3.475 4.482 . 0 0 "[ . 1 . 2 . 3]" 1
364 2 16 TYR QD 2 17 LEU H 4.800 . 4.800 3.273 3.067 3.511 . 0 0 "[ . 1 . 2 . 3]" 1
365 1 19 TYR H 1 19 TYR QE 4.780 . 4.780 4.525 4.343 4.769 . 0 0 "[ . 1 . 2 . 3]" 1
366 2 12 VAL H 2 13 GLU H 3.450 . 3.450 2.749 2.580 2.816 . 0 0 "[ . 1 . 2 . 3]" 1
367 2 11 LEU H 2 13 GLU H 4.510 . 4.510 4.112 3.967 4.216 . 0 0 "[ . 1 . 2 . 3]" 1
368 2 10 HIS H 2 10 HIS HD2 4.690 . 4.690 4.743 4.700 4.788 0.098 22 0 "[ . 1 . 2 . 3]" 1
369 2 10 HIS H 2 12 VAL H 4.590 . 4.590 4.072 3.977 4.277 . 0 0 "[ . 1 . 2 . 3]" 1
370 2 10 HIS H 2 11 LEU H 3.580 . 3.580 2.591 2.524 2.668 . 0 0 "[ . 1 . 2 . 3]" 1
371 2 14 ALA H 2 15 LEU H 3.180 . 3.180 2.722 2.622 2.773 . 0 0 "[ . 1 . 2 . 3]" 1
372 2 13 GLU H 2 14 ALA H 3.240 . 3.240 2.786 2.729 2.840 . 0 0 "[ . 1 . 2 . 3]" 1
373 2 16 TYR H 2 17 LEU H 3.470 . 3.470 2.696 2.641 2.745 . 0 0 "[ . 1 . 2 . 3]" 1
374 2 24 GLY H 2 25 PHE H 3.810 . 3.810 2.973 2.097 3.875 0.065 5 0 "[ . 1 . 2 . 3]" 1
375 2 22 ARG H 2 23 GLY H 3.350 . 3.350 2.132 1.814 2.489 . 0 0 "[ . 1 . 2 . 3]" 1
376 1 15 GLN H 1 16 LEU H 3.250 . 3.250 2.488 2.298 2.600 . 0 0 "[ . 1 . 2 . 3]" 1
377 1 14 TYR H 1 16 LEU H 4.340 . 4.340 4.015 3.922 4.084 . 0 0 "[ . 1 . 2 . 3]" 1
378 1 17 GLU H 1 18 ASN H 3.220 . 3.220 2.823 2.747 2.905 . 0 0 "[ . 1 . 2 . 3]" 1
379 2 25 PHE QD 2 26 TYR H 3.910 . 3.910 3.054 2.489 3.520 . 0 0 "[ . 1 . 2 . 3]" 1
380 2 16 TYR H 2 16 TYR QD 4.210 . 4.210 4.166 4.063 4.218 0.008 21 0 "[ . 1 . 2 . 3]" 1
381 1 16 LEU H 1 19 TYR QE 4.850 . 4.850 4.349 4.095 4.669 . 0 0 "[ . 1 . 2 . 3]" 1
382 2 16 TYR QE 2 21 GLU H 5.410 . 5.410 4.558 4.114 4.983 . 0 0 "[ . 1 . 2 . 3]" 1
383 1 16 LEU H 1 19 TYR QD 4.730 . 4.730 4.232 4.030 4.561 . 0 0 "[ . 1 . 2 . 3]" 1
384 2 1 PHE QD 2 2 VAL H 4.150 . 4.150 3.126 2.846 3.465 . 0 0 "[ . 1 . 2 . 3]" 1
385 2 16 TYR H 2 25 PHE QE 4.650 . 4.650 3.713 3.102 4.405 . 0 0 "[ . 1 . 2 . 3]" 1
386 1 20 CYS H 1 21 ASN H 3.690 . 3.690 2.175 1.891 2.610 . 0 0 "[ . 1 . 2 . 3]" 1
387 1 4 GLU H 1 5 GLN H 4.230 . 4.230 2.557 2.426 2.816 . 0 0 "[ . 1 . 2 . 3]" 1
388 2 7 CYS H 2 10 HIS H 4.660 . 4.660 4.250 4.122 4.442 . 0 0 "[ . 1 . 2 . 3]" 1
389 1 12 SER H 1 16 LEU H 4.780 . 4.780 4.069 3.872 4.282 . 0 0 "[ . 1 . 2 . 3]" 1
390 1 7 CYS HA 2 5 HIS HB3 4.170 . 4.170 3.431 3.015 3.691 . 0 0 "[ . 1 . 2 . 3]" 1
391 2 2 VAL HA 2 3 ASN HA 4.630 . 4.630 4.368 4.284 4.426 . 0 0 "[ . 1 . 2 . 3]" 1
392 2 19 CYS HA 2 20 GLY QA 4.630 . 4.630 4.444 4.407 4.473 . 0 0 "[ . 1 . 2 . 3]" 1
393 2 20 GLY QA 2 25 PHE HA 4.980 . 4.980 3.922 3.083 4.582 . 0 0 "[ . 1 . 2 . 3]" 1
394 2 24 GLY QA 2 25 PHE HA 5.410 . 5.410 4.166 3.927 4.548 . 0 0 "[ . 1 . 2 . 3]" 1
395 1 12 SER HA 1 13 LEU HA 4.450 . 4.450 4.338 4.281 4.391 . 0 0 "[ . 1 . 2 . 3]" 1
396 1 4 GLU HA 1 8 THR HB 3.660 . 3.660 2.527 2.152 3.058 . 0 0 "[ . 1 . 2 . 3]" 1
397 2 9 SER HA 2 10 HIS HA 4.960 . 4.960 4.776 4.723 4.825 . 0 0 "[ . 1 . 2 . 3]" 1
398 2 6 LEU HA 2 11 LEU HA 5.480 . 5.480 4.539 4.344 4.719 . 0 0 "[ . 1 . 2 . 3]" 1
399 2 10 HIS HA 2 11 LEU HA 5.500 . 5.500 4.825 4.777 4.851 . 0 0 "[ . 1 . 2 . 3]" 1
400 1 17 GLU HA 1 18 ASN HA 5.040 . 5.040 4.759 4.695 4.878 . 0 0 "[ . 1 . 2 . 3]" 1
401 2 9 SER QB 2 10 HIS HA 4.420 . 4.420 4.061 3.894 4.371 . 0 0 "[ . 1 . 2 . 3]" 1
402 2 20 GLY QA 2 21 GLU HA 4.190 . 4.190 4.068 3.992 4.121 . 0 0 "[ . 1 . 2 . 3]" 1
403 2 16 TYR HA 2 20 GLY QA 4.500 . 4.500 2.285 2.053 2.634 . 0 0 "[ . 1 . 2 . 3]" 1
404 1 14 TYR HA 1 15 GLN HA 4.730 . 4.730 4.720 4.660 4.748 0.018 10 0 "[ . 1 . 2 . 3]" 1
405 1 4 GLU HA 1 5 GLN HA 4.880 . 4.880 4.661 4.463 4.810 . 0 0 "[ . 1 . 2 . 3]" 1
406 1 4 GLU HA 1 8 THR HA 5.290 . 5.290 4.846 4.623 5.143 . 0 0 "[ . 1 . 2 . 3]" 1
407 1 13 LEU HA 1 14 TYR HA 5.300 . 5.300 4.867 4.807 4.931 . 0 0 "[ . 1 . 2 . 3]" 1
408 1 13 LEU HA 1 16 LEU HA 5.500 . 5.500 4.972 4.831 5.197 . 0 0 "[ . 1 . 2 . 3]" 1
409 2 9 SER HA 2 9 SER QB 2.530 . 2.530 2.223 2.155 2.327 . 0 0 "[ . 1 . 2 . 3]" 1
410 1 16 LEU HA 1 19 TYR HB3 5.080 . 5.080 4.816 4.392 5.035 . 0 0 "[ . 1 . 2 . 3]" 1
411 2 13 GLU HA 2 16 TYR QB 3.060 . 3.060 2.465 2.259 2.581 . 0 0 "[ . 1 . 2 . 3]" 1
412 2 22 ARG HA 2 22 ARG QD 3.840 . 3.840 2.914 1.974 4.097 0.257 15 0 "[ . 1 . 2 . 3]" 1
413 1 8 THR MG 1 9 SER HA 4.530 . 4.530 3.869 3.700 4.145 . 0 0 "[ . 1 . 2 . 3]" 1
414 2 18 VAL MG1 2 19 CYS HA 4.530 . 4.530 3.839 3.743 3.972 . 0 0 "[ . 1 . 2 . 3]" 1
415 2 18 VAL MG2 2 19 CYS HA 4.060 . 4.060 3.860 3.608 4.046 . 0 0 "[ . 1 . 2 . 3]" 1
416 1 20 CYS HA 2 15 LEU MD2 4.240 . 4.240 3.173 2.309 3.976 . 0 0 "[ . 1 . 2 . 3]" 1
417 2 2 VAL QG 2 3 ASN HA 4.380 . 4.380 3.900 3.810 4.055 . 0 0 "[ . 1 . 2 . 3]" 1
418 1 10 ILE MG 2 3 ASN HA 4.000 . 4.000 3.842 3.752 3.971 . 0 0 "[ . 1 . 2 . 3]" 1
419 1 9 SER HA 1 10 ILE MD 4.600 . 4.600 4.483 4.411 4.586 . 0 0 "[ . 1 . 2 . 3]" 1
420 1 10 ILE MD 2 3 ASN HA 5.420 . 5.420 5.336 5.229 5.425 0.005 15 0 "[ . 1 . 2 . 3]" 1
421 2 7 CYS HA 2 11 LEU MD1 4.170 . 4.170 2.126 2.005 2.283 . 0 0 "[ . 1 . 2 . 3]" 1
422 1 7 CYS HA 2 11 LEU MD1 4.960 . 4.960 4.449 4.091 4.624 . 0 0 "[ . 1 . 2 . 3]" 1
423 2 6 LEU HA 2 6 LEU MD2 4.000 . 4.000 2.287 2.186 2.485 . 0 0 "[ . 1 . 2 . 3]" 1
424 1 10 ILE MG 2 4 GLN HA 3.870 . 3.870 2.870 2.672 3.065 . 0 0 "[ . 1 . 2 . 3]" 1
425 1 10 ILE MD 2 4 GLN HA 3.700 . 3.700 2.247 2.149 2.356 . 0 0 "[ . 1 . 2 . 3]" 1
426 1 10 ILE HA 1 10 ILE MG 3.440 . 3.440 2.458 2.425 2.490 . 0 0 "[ . 1 . 2 . 3]" 1
427 1 10 ILE HA 1 10 ILE MD 3.750 . 3.750 2.182 2.134 2.319 . 0 0 "[ . 1 . 2 . 3]" 1
428 1 4 GLU HA 1 8 THR MG 3.850 . 3.850 3.591 3.333 3.803 . 0 0 "[ . 1 . 2 . 3]" 1
429 1 8 THR HA 1 8 THR MG 2.890 . 2.890 2.346 2.283 2.416 . 0 0 "[ . 1 . 2 . 3]" 1
430 2 11 LEU HA 2 11 LEU HG 3.240 . 3.240 2.560 2.441 2.644 . 0 0 "[ . 1 . 2 . 3]" 1
431 2 30 THR HA 2 30 THR MG 3.720 . 3.720 2.413 2.163 3.297 . 0 0 "[ . 1 . 2 . 3]" 1
432 2 10 HIS HA 2 14 ALA MB 4.900 . 4.900 4.835 4.696 4.965 0.065 30 0 "[ . 1 . 2 . 3]" 1
433 2 6 LEU HA 2 6 LEU HG 4.190 . 4.190 2.782 2.675 2.860 . 0 0 "[ . 1 . 2 . 3]" 1
434 1 12 SER HA 1 13 LEU QB 4.780 . 4.780 4.507 4.400 4.654 . 0 0 "[ . 1 . 2 . 3]" 1
435 2 10 HIS HA 2 13 GLU QG 4.540 . 4.540 3.674 3.393 3.907 . 0 0 "[ . 1 . 2 . 3]" 1
436 2 4 GLN HA 2 4 GLN HG2 3.800 . 3.800 3.750 3.706 3.786 . 0 0 "[ . 1 . 2 . 3]" 1
437 2 21 GLU HA 2 21 GLU HG2 3.880 . 3.880 2.527 2.378 3.781 . 0 0 "[ . 1 . 2 . 3]" 1
438 1 4 GLU HA 1 4 GLU QG 3.680 . 3.680 2.395 2.178 2.907 . 0 0 "[ . 1 . 2 . 3]" 1
439 1 17 GLU HA 1 17 GLU HG3 3.680 . 3.680 3.035 2.858 3.691 0.011 24 0 "[ . 1 . 2 . 3]" 1
440 2 13 GLU HA 2 13 GLU QG 3.280 . 3.280 2.344 2.252 2.405 . 0 0 "[ . 1 . 2 . 3]" 1
441 1 5 GLN HA 1 5 GLN HG2 4.040 . 4.040 3.132 2.261 3.759 . 0 0 "[ . 1 . 2 . 3]" 1
442 2 21 GLU HA 2 21 GLU HG3 3.880 . 3.880 3.220 2.988 3.827 . 0 0 "[ . 1 . 2 . 3]" 1
443 2 2 VAL HA 2 3 ASN QB 4.640 . 4.640 4.372 4.197 4.491 . 0 0 "[ . 1 . 2 . 3]" 1
444 2 19 CYS HB2 2 20 GLY QA 5.250 . 5.250 4.912 4.086 5.133 . 0 0 "[ . 1 . 2 . 3]" 1
445 1 15 GLN HA 1 15 GLN HG2 3.810 . 3.810 3.033 2.389 3.722 . 0 0 "[ . 1 . 2 . 3]" 1
446 1 15 GLN HA 1 15 GLN HG3 3.810 . 3.810 2.913 2.290 3.750 . 0 0 "[ . 1 . 2 . 3]" 1
447 2 9 SER QB 2 13 GLU QG 4.710 . 4.710 3.752 3.615 3.926 . 0 0 "[ . 1 . 2 . 3]" 1
448 1 5 GLN HA 1 5 GLN HG3 4.040 . 4.040 3.104 2.214 3.721 . 0 0 "[ . 1 . 2 . 3]" 1
449 1 17 GLU HA 1 17 GLU HG2 3.630 . 3.630 2.375 2.186 2.520 . 0 0 "[ . 1 . 2 . 3]" 1
450 2 15 LEU HA 2 18 VAL HB 4.740 . 4.740 4.452 4.334 4.542 . 0 0 "[ . 1 . 2 . 3]" 1
451 2 22 ARG HB2 2 22 ARG QD 3.770 . 3.770 2.730 2.087 3.569 . 0 0 "[ . 1 . 2 . 3]" 1
452 2 22 ARG HB3 2 22 ARG QD 3.770 . 3.770 2.937 1.980 3.486 . 0 0 "[ . 1 . 2 . 3]" 1
453 1 13 LEU HA 1 16 LEU HB2 4.050 . 4.050 2.123 1.952 2.303 . 0 0 "[ . 1 . 2 . 3]" 1
454 2 14 ALA HA 2 17 LEU HB2 3.380 . 3.380 2.768 2.677 2.918 . 0 0 "[ . 1 . 2 . 3]" 1
455 1 16 LEU HA 1 16 LEU HG 3.860 . 3.860 3.018 2.149 3.764 . 0 0 "[ . 1 . 2 . 3]" 1
456 2 17 LEU HA 2 17 LEU HG 3.750 . 3.750 2.849 2.722 2.926 . 0 0 "[ . 1 . 2 . 3]" 1
457 2 6 LEU QB 2 11 LEU HA 4.140 . 4.140 2.186 2.079 2.293 . 0 0 "[ . 1 . 2 . 3]" 1
458 2 11 LEU HA 2 14 ALA MB 3.480 . 3.480 2.743 2.639 2.844 . 0 0 "[ . 1 . 2 . 3]" 1
459 2 14 ALA MB 2 15 LEU HA 4.470 . 4.470 3.867 3.821 3.892 . 0 0 "[ . 1 . 2 . 3]" 1
460 1 13 LEU HA 1 16 LEU HB3 4.490 . 4.490 3.526 3.295 3.852 . 0 0 "[ . 1 . 2 . 3]" 1
461 1 13 LEU HA 1 16 LEU HG 5.140 . 5.140 3.999 2.660 5.088 . 0 0 "[ . 1 . 2 . 3]" 1
462 1 13 LEU HA 1 13 LEU HG 3.980 . 3.980 3.745 3.654 3.814 . 0 0 "[ . 1 . 2 . 3]" 1
463 2 12 VAL HA 2 15 LEU HB2 4.180 . 4.180 2.727 2.270 2.979 . 0 0 "[ . 1 . 2 . 3]" 1
464 1 17 GLU HA 2 18 VAL MG1 3.900 . 3.900 3.479 3.242 3.738 . 0 0 "[ . 1 . 2 . 3]" 1
465 2 14 ALA HA 2 18 VAL MG1 4.310 . 4.310 4.452 4.395 4.508 0.198 29 0 "[ . 1 . 2 . 3]" 1
466 2 15 LEU HA 2 18 VAL MG1 3.330 . 3.330 2.067 2.006 2.136 . 0 0 "[ . 1 . 2 . 3]" 1
467 2 18 VAL HA 2 18 VAL MG1 3.200 . 3.200 3.234 3.216 3.252 0.052 16 0 "[ . 1 . 2 . 3]" 1
468 2 6 LEU HA 2 6 LEU MD1 4.000 . 4.000 3.894 3.858 3.919 . 0 0 "[ . 1 . 2 . 3]" 1
469 2 2 VAL QG 2 4 GLN HA 4.690 . 4.690 4.343 4.110 4.655 . 0 0 "[ . 1 . 2 . 3]" 1
470 1 16 LEU HA 1 16 LEU MD1 3.740 . 3.740 2.449 2.057 3.649 . 0 0 "[ . 1 . 2 . 3]" 1
471 1 16 LEU HA 1 16 LEU MD2 3.740 . 3.740 2.953 2.017 3.745 0.005 8 0 "[ . 1 . 2 . 3]" 1
472 1 2 ILE MD 1 16 LEU HA 4.340 . 4.340 3.448 2.968 3.941 . 0 0 "[ . 1 . 2 . 3]" 1
473 1 17 GLU HA 2 18 VAL MG2 3.710 . 3.710 3.696 3.516 3.903 0.193 30 0 "[ . 1 . 2 . 3]" 1
474 2 2 VAL HA 2 2 VAL QG 2.930 . 2.930 2.214 2.123 2.338 . 0 0 "[ . 1 . 2 . 3]" 1
475 2 14 ALA HA 2 17 LEU QD 3.160 . 3.160 2.454 2.239 2.812 . 0 0 "[ . 1 . 2 . 3]" 1
476 2 17 LEU HA 2 17 LEU QD 3.260 . 3.260 2.155 2.080 2.218 . 0 0 "[ . 1 . 2 . 3]" 1
477 2 1 PHE HA 2 2 VAL QG 4.010 . 4.010 3.718 3.542 3.861 . 0 0 "[ . 1 . 2 . 3]" 1
478 2 6 LEU MD1 2 11 LEU HA 4.070 . 4.070 3.199 2.905 3.433 . 0 0 "[ . 1 . 2 . 3]" 1
479 2 11 LEU HA 2 11 LEU MD1 3.880 . 3.880 3.800 3.735 3.856 . 0 0 "[ . 1 . 2 . 3]" 1
480 2 11 LEU HA 2 11 LEU MD2 2.980 . 2.980 2.208 2.040 2.371 . 0 0 "[ . 1 . 2 . 3]" 1
481 2 6 LEU MD2 2 11 LEU HA 4.070 . 4.070 3.072 2.831 3.455 . 0 0 "[ . 1 . 2 . 3]" 1
482 2 15 LEU HA 2 18 VAL MG2 4.590 . 4.590 4.684 4.615 4.752 0.162 27 0 "[ . 1 . 2 . 3]" 1
483 2 15 LEU HA 2 15 LEU MD2 2.920 . 2.920 2.212 2.064 2.416 . 0 0 "[ . 1 . 2 . 3]" 1
484 1 13 LEU HA 1 13 LEU MD2 3.790 . 3.790 3.830 3.728 3.998 0.208 25 0 "[ . 1 . 2 . 3]" 1
485 1 13 LEU HA 1 13 LEU MD1 4.220 . 4.220 3.965 3.707 4.094 . 0 0 "[ . 1 . 2 . 3]" 1
486 1 2 ILE HA 1 2 ILE MD 4.660 . 4.660 2.549 2.087 3.793 . 0 0 "[ . 1 . 2 . 3]" 1
487 2 18 VAL HA 2 18 VAL MG2 2.860 . 2.860 2.370 2.300 2.446 . 0 0 "[ . 1 . 2 . 3]" 1
488 2 15 LEU HA 2 15 LEU HG 4.000 . 4.000 2.547 2.401 2.746 . 0 0 "[ . 1 . 2 . 3]" 1
489 1 3 VAL MG2 1 7 CYS HB2 4.930 . 4.930 3.856 2.294 4.332 . 0 0 "[ . 1 . 2 . 3]" 1
490 1 2 ILE MG 1 3 VAL HA 4.190 . 4.190 3.381 3.193 3.610 . 0 0 "[ . 1 . 2 . 3]" 1
491 1 3 VAL HA 1 3 VAL MG1 3.380 . 3.380 2.615 2.414 3.279 . 0 0 "[ . 1 . 2 . 3]" 1
492 1 3 VAL HA 1 3 VAL MG2 3.380 . 3.380 2.358 2.312 2.558 . 0 0 "[ . 1 . 2 . 3]" 1
493 2 12 VAL HA 2 12 VAL MG1 3.310 . 3.310 2.507 2.377 3.242 . 0 0 "[ . 1 . 2 . 3]" 1
494 2 12 VAL HA 2 12 VAL MG2 3.310 . 3.310 2.375 2.087 2.437 . 0 0 "[ . 1 . 2 . 3]" 1
495 1 6 CYS HB2 2 11 LEU MD2 3.820 . 3.820 2.888 2.540 3.389 . 0 0 "[ . 1 . 2 . 3]" 1
496 1 3 VAL MG1 1 7 CYS HB3 4.930 . 4.930 3.199 2.357 4.790 . 0 0 "[ . 1 . 2 . 3]" 1
497 1 6 CYS HB2 2 11 LEU MD1 4.400 . 4.400 2.294 2.088 3.620 . 0 0 "[ . 1 . 2 . 3]" 1
498 1 3 VAL MG2 1 7 CYS HB3 4.930 . 4.930 4.364 2.240 5.038 0.108 25 0 "[ . 1 . 2 . 3]" 1
499 1 2 ILE MD 1 19 TYR HB3 4.070 . 4.070 3.100 2.448 3.597 . 0 0 "[ . 1 . 2 . 3]" 1
500 1 19 TYR HB3 2 15 LEU MD1 4.310 . 4.310 3.028 2.605 3.394 . 0 0 "[ . 1 . 2 . 3]" 1
501 2 12 VAL HA 2 15 LEU MD1 3.640 . 3.640 3.360 2.922 3.558 . 0 0 "[ . 1 . 2 . 3]" 1
502 2 18 VAL MG2 2 19 CYS HB3 5.100 . 5.100 4.920 4.646 5.169 0.069 20 0 "[ . 1 . 2 . 3]" 1
503 1 13 LEU MD2 2 1 PHE QB 4.300 . 4.300 2.333 2.075 2.863 . 0 0 "[ . 1 . 2 . 3]" 1
504 1 13 LEU MD1 2 1 PHE QB 4.360 . 4.360 3.397 2.455 4.311 . 0 0 "[ . 1 . 2 . 3]" 1
505 2 15 LEU MD2 2 19 CYS HB3 4.770 . 4.770 3.081 2.375 4.260 . 0 0 "[ . 1 . 2 . 3]" 1
506 1 19 TYR HB2 2 15 LEU MD2 3.640 . 3.640 2.652 2.251 3.011 . 0 0 "[ . 1 . 2 . 3]" 1
507 1 2 ILE MD 1 19 TYR HB2 4.160 . 4.160 3.094 2.744 3.534 . 0 0 "[ . 1 . 2 . 3]" 1
508 1 19 TYR HB2 2 15 LEU MD1 4.400 . 4.400 2.992 2.546 3.548 . 0 0 "[ . 1 . 2 . 3]" 1
509 2 18 VAL MG2 2 19 CYS HB2 4.300 . 4.300 3.633 3.150 4.388 0.088 7 0 "[ . 1 . 2 . 3]" 1
510 1 6 CYS HB3 2 11 LEU MD2 3.820 . 3.820 3.105 2.798 3.350 . 0 0 "[ . 1 . 2 . 3]" 1
511 1 6 CYS HB3 2 11 LEU MD1 4.400 . 4.400 3.137 2.186 3.691 . 0 0 "[ . 1 . 2 . 3]" 1
512 1 10 ILE MG 2 3 ASN QB 3.150 . 3.150 2.404 2.273 2.564 . 0 0 "[ . 1 . 2 . 3]" 1
513 1 10 ILE MD 2 3 ASN QB 4.370 . 4.370 4.450 4.365 4.564 0.194 22 0 "[ . 1 . 2 . 3]" 1
514 2 2 VAL QG 2 3 ASN QB 4.300 . 4.300 4.085 3.938 4.225 . 0 0 "[ . 1 . 2 . 3]" 1
515 1 17 GLU HG3 2 18 VAL MG1 4.380 . 4.380 3.627 3.229 4.448 0.068 24 0 "[ . 1 . 2 . 3]" 1
516 1 17 GLU HG3 2 18 VAL MG2 3.710 . 3.710 2.302 2.107 3.024 . 0 0 "[ . 1 . 2 . 3]" 1
517 1 13 LEU MD1 1 17 GLU HG3 4.630 . 4.630 3.954 3.176 4.542 . 0 0 "[ . 1 . 2 . 3]" 1
518 2 13 GLU QG 2 17 LEU QD 3.680 . 3.680 4.140 3.941 4.179 0.499 6 0 "[ . 1 . 2 . 3]" 1
519 1 4 GLU QG 1 8 THR MG 4.390 . 4.390 4.031 3.096 4.582 0.192 16 0 "[ . 1 . 2 . 3]" 1
520 1 17 GLU HG2 2 18 VAL MG2 3.680 . 3.680 2.420 2.127 2.730 . 0 0 "[ . 1 . 2 . 3]" 1
521 1 17 GLU HG2 2 18 VAL MG1 4.250 . 4.250 3.474 3.046 3.829 . 0 0 "[ . 1 . 2 . 3]" 1
522 2 2 VAL QG 2 4 GLN HG2 4.400 . 4.400 3.608 2.682 4.273 . 0 0 "[ . 1 . 2 . 3]" 1
523 2 13 GLU HB3 2 17 LEU QD 4.000 . 4.000 3.089 2.983 3.220 . 0 0 "[ . 1 . 2 . 3]" 1
524 1 13 LEU MD1 2 18 VAL HB 4.530 . 4.530 4.112 3.566 4.579 0.049 28 0 "[ . 1 . 2 . 3]" 1
525 1 13 LEU MD2 2 18 VAL HB 5.280 . 5.280 4.995 4.438 5.318 0.038 7 0 "[ . 1 . 2 . 3]" 1
526 1 10 ILE MD 2 4 GLN HG3 5.400 . 5.400 5.061 4.971 5.149 . 0 0 "[ . 1 . 2 . 3]" 1
527 2 17 LEU HB2 2 17 LEU QD 3.120 . 3.120 2.208 2.185 2.237 . 0 0 "[ . 1 . 2 . 3]" 1
528 2 11 LEU HB2 2 11 LEU MD1 3.080 . 3.080 2.313 2.281 2.354 . 0 0 "[ . 1 . 2 . 3]" 1
529 1 2 ILE MG 1 3 VAL HB 3.850 . 3.850 3.856 3.082 4.013 0.163 10 0 "[ . 1 . 2 . 3]" 1
530 1 16 LEU HB2 2 15 LEU MD2 5.010 . 5.010 4.599 4.087 5.058 0.048 17 0 "[ . 1 . 2 . 3]" 1
531 1 16 LEU HB2 2 18 VAL MG1 3.690 . 3.690 2.779 2.293 3.069 . 0 0 "[ . 1 . 2 . 3]" 1
532 2 14 ALA MB 2 17 LEU HB2 4.300 . 4.300 4.198 4.112 4.368 0.068 30 0 "[ . 1 . 2 . 3]" 1
533 2 13 GLU HB2 2 14 ALA MB 4.540 . 4.540 4.115 4.017 4.243 . 0 0 "[ . 1 . 2 . 3]" 1
534 1 4 GLU QB 1 8 THR MG 4.800 . 4.800 4.037 3.761 4.362 . 0 0 "[ . 1 . 2 . 3]" 1
535 2 11 LEU HB3 2 15 LEU HB2 5.270 . 5.270 4.909 4.647 5.215 . 0 0 "[ . 1 . 2 . 3]" 1
536 1 16 LEU HG 2 18 VAL MG1 4.190 . 4.190 3.480 2.734 4.050 . 0 0 "[ . 1 . 2 . 3]" 1
537 1 16 LEU HB3 2 18 VAL MG1 3.720 . 3.720 2.051 1.953 2.244 . 0 0 "[ . 1 . 2 . 3]" 1
538 2 14 ALA MB 2 18 VAL MG1 3.930 . 3.930 3.851 3.707 3.967 0.037 29 0 "[ . 1 . 2 . 3]" 1
539 2 6 LEU QB 2 11 LEU MD2 3.400 . 3.400 2.852 2.507 3.140 . 0 0 "[ . 1 . 2 . 3]" 1
540 1 2 ILE MD 1 16 LEU HG 5.040 . 5.040 3.870 2.420 5.093 0.053 7 0 "[ . 1 . 2 . 3]" 1
541 2 15 LEU HB2 2 15 LEU MD1 3.190 . 3.190 2.290 2.252 2.344 . 0 0 "[ . 1 . 2 . 3]" 1
542 2 15 LEU HB3 2 15 LEU MD1 3.400 . 3.400 2.378 2.279 2.475 . 0 0 "[ . 1 . 2 . 3]" 1
543 1 10 ILE HB 1 10 ILE MD 3.240 . 3.240 3.275 3.254 3.295 0.055 23 0 "[ . 1 . 2 . 3]" 1
544 1 10 ILE MD 1 10 ILE MG 2.870 . 2.870 2.091 2.050 2.130 . 0 0 "[ . 1 . 2 . 3]" 1
545 1 2 ILE HB 1 2 ILE MD 3.410 . 3.410 2.364 2.262 2.431 . 0 0 "[ . 1 . 2 . 3]" 1
546 1 10 ILE HG12 1 10 ILE MG 3.580 . 3.580 3.244 3.228 3.261 . 0 0 "[ . 1 . 2 . 3]" 1
547 1 2 ILE MD 1 16 LEU MD1 3.790 . 3.790 2.774 2.188 3.756 . 0 0 "[ . 1 . 2 . 3]" 1
548 1 13 LEU QB 1 13 LEU MD1 2.990 . 2.990 2.067 2.010 2.147 . 0 0 "[ . 1 . 2 . 3]" 1
549 2 11 LEU HB3 2 11 LEU MD2 2.950 . 2.950 2.445 2.394 2.522 . 0 0 "[ . 1 . 2 . 3]" 1
550 1 13 LEU QB 1 13 LEU MD2 3.250 . 3.250 2.148 2.012 2.248 . 0 0 "[ . 1 . 2 . 3]" 1
551 2 6 LEU MD1 2 14 ALA MB 3.360 . 3.360 2.100 2.024 2.195 . 0 0 "[ . 1 . 2 . 3]" 1
552 1 16 LEU MD2 2 14 ALA MB 3.960 . 3.960 2.900 2.046 3.830 . 0 0 "[ . 1 . 2 . 3]" 1
553 2 11 LEU MD2 2 14 ALA MB 3.500 . 3.500 2.887 2.742 3.104 . 0 0 "[ . 1 . 2 . 3]" 1
554 2 6 LEU MD2 2 14 ALA MB 3.360 . 3.360 2.407 2.180 2.920 . 0 0 "[ . 1 . 2 . 3]" 1
555 2 17 LEU HB3 2 17 LEU QD 3.170 . 3.170 2.142 2.124 2.160 . 0 0 "[ . 1 . 2 . 3]" 1
556 1 16 LEU HB3 1 16 LEU MD1 3.550 . 3.550 2.727 2.098 3.251 . 0 0 "[ . 1 . 2 . 3]" 1
557 1 16 LEU HB3 1 16 LEU MD2 3.550 . 3.550 2.721 2.211 3.248 . 0 0 "[ . 1 . 2 . 3]" 1
558 2 15 LEU HB3 2 15 LEU MD2 3.260 . 3.260 2.417 2.277 2.526 . 0 0 "[ . 1 . 2 . 3]" 1
559 2 11 LEU MD2 2 15 LEU HB2 4.060 . 4.060 3.573 3.178 3.965 . 0 0 "[ . 1 . 2 . 3]" 1
560 2 14 ALA MB 2 17 LEU QD 4.360 . 4.360 3.691 3.519 3.980 . 0 0 "[ . 1 . 2 . 3]" 1
561 2 11 LEU HB3 2 12 VAL MG1 5.360 . 5.360 5.237 4.517 5.350 . 0 0 "[ . 1 . 2 . 3]" 1
562 1 2 ILE QG 2 11 LEU HG 4.650 . 4.650 4.058 3.920 4.208 . 0 0 "[ . 1 . 2 . 3]" 1
563 2 15 LEU MD2 2 18 VAL MG1 3.540 . 3.540 2.656 2.488 2.852 . 0 0 "[ . 1 . 2 . 3]" 1
564 1 16 LEU MD2 2 15 LEU HG 4.480 . 4.480 3.381 2.271 4.671 0.191 14 0 "[ . 1 . 2 . 3]" 1
565 2 11 LEU HB3 2 11 LEU MD1 2.880 . 2.880 2.344 2.280 2.407 . 0 0 "[ . 1 . 2 . 3]" 1
566 1 7 CYS H 1 8 THR H 3.560 . 3.560 2.415 2.283 2.583 . 0 0 "[ . 1 . 2 . 3]" 1
567 1 10 ILE MG 1 12 SER H 5.070 . 5.070 4.569 4.185 4.768 . 0 0 "[ . 1 . 2 . 3]" 1
568 1 16 LEU HB3 2 19 CYS H 5.500 . 5.500 5.545 5.485 5.632 0.132 27 0 "[ . 1 . 2 . 3]" 1
569 2 15 LEU HB3 2 19 CYS H 5.310 . 5.310 5.013 4.769 5.246 . 0 0 "[ . 1 . 2 . 3]" 1
570 1 10 ILE HB 2 5 HIS HE1 5.500 . 5.500 5.512 5.419 5.552 0.052 17 0 "[ . 1 . 2 . 3]" 1
571 2 4 GLN H 2 6 LEU MD2 5.100 . 5.100 4.861 4.474 5.125 0.025 5 0 "[ . 1 . 2 . 3]" 1
572 1 2 ILE MD 1 6 CYS H 5.500 . 5.500 4.220 3.587 5.439 . 0 0 "[ . 1 . 2 . 3]" 1
573 1 2 ILE MD 1 7 CYS H 5.500 . 5.500 5.505 5.064 5.880 0.380 21 0 "[ . 1 . 2 . 3]" 1
574 2 4 GLN H 2 6 LEU MD1 5.100 . 5.100 3.415 3.025 3.718 . 0 0 "[ . 1 . 2 . 3]" 1
575 1 20 CYS H 2 15 LEU MD1 5.500 . 5.500 5.159 4.558 5.604 0.104 23 0 "[ . 1 . 2 . 3]" 1
576 1 12 SER H 1 14 TYR H 4.920 . 4.920 4.603 4.350 4.798 . 0 0 "[ . 1 . 2 . 3]" 1
577 2 17 LEU QD 2 21 GLU H 5.500 . 5.500 5.140 4.904 5.400 . 0 0 "[ . 1 . 2 . 3]" 1
578 2 10 HIS H 2 11 LEU HB2 4.790 . 4.790 4.504 4.422 4.630 . 0 0 "[ . 1 . 2 . 3]" 1
579 2 17 LEU H 2 18 VAL MG1 4.890 . 4.890 3.953 3.871 4.063 . 0 0 "[ . 1 . 2 . 3]" 1
580 1 15 GLN H 1 16 LEU HB2 4.890 . 4.890 4.346 3.987 4.639 . 0 0 "[ . 1 . 2 . 3]" 1
581 2 6 LEU MD1 2 10 HIS HD2 5.500 . 5.500 5.515 5.293 5.584 0.084 27 0 "[ . 1 . 2 . 3]" 1
582 2 15 LEU MD2 2 26 TYR QD 5.500 . 5.500 4.469 3.873 4.875 . 0 0 "[ . 1 . 2 . 3]" 1
583 1 10 ILE HG12 2 5 HIS HD2 5.080 . 5.080 4.711 4.526 4.854 . 0 0 "[ . 1 . 2 . 3]" 1
584 2 1 PHE QE 2 14 ALA MB 4.730 . 4.730 2.180 2.065 2.357 . 0 0 "[ . 1 . 2 . 3]" 1
585 2 1 PHE HZ 2 14 ALA MB 5.090 . 5.090 2.857 2.459 3.120 . 0 0 "[ . 1 . 2 . 3]" 1
586 2 1 PHE QD 2 14 ALA MB 4.820 . 4.820 3.890 3.654 4.091 . 0 0 "[ . 1 . 2 . 3]" 1
587 1 16 LEU HG 1 19 TYR QD 5.500 . 5.500 4.328 2.448 5.546 0.046 18 0 "[ . 1 . 2 . 3]" 1
588 2 11 LEU H 2 12 VAL HB 5.500 . 5.500 4.894 4.580 5.167 . 0 0 "[ . 1 . 2 . 3]" 1
589 2 11 LEU H 2 12 VAL HA 5.500 . 5.500 5.289 5.240 5.340 . 0 0 "[ . 1 . 2 . 3]" 1
590 2 1 PHE QD 2 3 ASN QB 4.790 . 4.790 4.137 3.761 4.402 . 0 0 "[ . 1 . 2 . 3]" 1
591 2 1 PHE HZ 2 3 ASN QB 5.500 . 5.500 5.492 5.292 5.571 0.071 28 0 "[ . 1 . 2 . 3]" 1
592 1 7 CYS HB2 1 8 THR H 4.950 . 4.950 3.162 2.221 4.073 . 0 0 "[ . 1 . 2 . 3]" 1
593 1 13 LEU H 1 14 TYR HB3 5.320 . 5.320 5.062 4.812 5.230 . 0 0 "[ . 1 . 2 . 3]" 1
594 2 10 HIS HB2 2 11 LEU H 4.910 . 4.910 3.568 3.296 3.744 . 0 0 "[ . 1 . 2 . 3]" 1
595 1 14 TYR QE 1 15 GLN HA 5.160 . 5.160 4.951 4.612 5.163 0.003 16 0 "[ . 1 . 2 . 3]" 1
596 1 18 ASN HA 1 18 ASN HD22 4.950 . 4.950 4.529 4.170 4.716 . 0 0 "[ . 1 . 2 . 3]" 1
597 2 16 TYR HA 2 21 GLU H 4.540 . 4.540 3.861 3.510 4.031 . 0 0 "[ . 1 . 2 . 3]" 1
598 2 10 HIS HA 2 10 HIS HE1 5.500 . 5.500 5.544 5.491 5.597 0.097 30 0 "[ . 1 . 2 . 3]" 1
599 1 11 CYS HA 1 15 GLN H 5.500 . 5.500 5.378 5.142 5.537 0.037 5 0 "[ . 1 . 2 . 3]" 1
600 1 17 GLU H 1 18 ASN HA 5.500 . 5.500 5.414 5.346 5.495 . 0 0 "[ . 1 . 2 . 3]" 1
601 1 13 LEU HA 1 15 GLN H 4.940 . 4.940 4.358 4.181 4.622 . 0 0 "[ . 1 . 2 . 3]" 1
602 1 12 SER HA 2 1 PHE HZ 5.030 . 5.030 3.976 3.511 4.468 . 0 0 "[ . 1 . 2 . 3]" 1
603 1 20 CYS HA 2 26 TYR QD 5.450 . 5.450 4.247 3.262 4.982 . 0 0 "[ . 1 . 2 . 3]" 1
604 2 7 CYS H 2 11 LEU HA 5.000 . 5.000 4.203 4.089 4.374 . 0 0 "[ . 1 . 2 . 3]" 1
605 1 13 LEU HG 1 14 TYR QD 4.930 . 4.930 4.780 4.565 4.942 0.012 25 0 "[ . 1 . 2 . 3]" 1
606 1 18 ASN H 1 19 TYR HB2 5.030 . 5.030 4.785 4.700 4.905 . 0 0 "[ . 1 . 2 . 3]" 1
607 1 1 GLY QA 1 19 TYR QD 5.400 . 5.400 4.925 4.229 5.351 . 0 0 "[ . 1 . 2 . 3]" 1
608 1 13 LEU H 2 1 PHE QE 4.860 . 4.860 2.755 2.522 2.993 . 0 0 "[ . 1 . 2 . 3]" 1
609 1 13 LEU H 1 16 LEU H 4.940 . 4.940 4.755 4.670 4.856 . 0 0 "[ . 1 . 2 . 3]" 1
610 2 16 TYR QD 2 19 CYS H 5.500 . 5.500 5.557 5.509 5.633 0.133 23 0 "[ . 1 . 2 . 3]" 1
611 2 19 CYS H 2 25 PHE QD 5.500 . 5.500 5.097 4.488 5.466 . 0 0 "[ . 1 . 2 . 3]" 1
612 1 12 SER H 1 13 LEU H 4.820 . 4.820 4.490 4.417 4.575 . 0 0 "[ . 1 . 2 . 3]" 1
613 2 16 TYR H 2 19 CYS H 5.010 . 5.010 4.697 4.644 4.750 . 0 0 "[ . 1 . 2 . 3]" 1
614 2 17 LEU H 2 19 CYS H 4.930 . 4.930 4.148 4.100 4.231 . 0 0 "[ . 1 . 2 . 3]" 1
615 2 1 PHE QE 2 3 ASN H 5.160 . 5.160 4.316 4.162 4.441 . 0 0 "[ . 1 . 2 . 3]" 1
616 2 1 PHE QE 2 4 GLN H 5.100 . 5.100 4.077 3.721 4.376 . 0 0 "[ . 1 . 2 . 3]" 1
617 2 7 CYS H 2 11 LEU H 5.180 . 5.180 3.193 3.083 3.311 . 0 0 "[ . 1 . 2 . 3]" 1
618 1 19 TYR H 1 21 ASN H 4.860 . 4.860 4.131 3.868 4.668 . 0 0 "[ . 1 . 2 . 3]" 1
619 2 1 PHE QE 2 2 VAL H 5.090 . 5.090 4.407 4.109 4.888 . 0 0 "[ . 1 . 2 . 3]" 1
620 2 21 GLU H 2 22 ARG H 3.960 . 3.960 2.696 2.338 2.942 . 0 0 "[ . 1 . 2 . 3]" 1
621 1 14 TYR H 1 15 GLN H 3.560 . 3.560 2.766 2.634 2.916 . 0 0 "[ . 1 . 2 . 3]" 1
622 1 18 ASN H 1 19 TYR QD 5.150 . 5.150 3.958 3.324 4.809 . 0 0 "[ . 1 . 2 . 3]" 1
623 1 6 CYS HA 2 11 LEU MD2 5.180 . 5.180 4.954 4.742 5.152 . 0 0 "[ . 1 . 2 . 3]" 1
624 2 7 CYS HA 2 11 LEU HG 4.870 . 4.870 3.072 2.675 3.497 . 0 0 "[ . 1 . 2 . 3]" 1
625 1 10 ILE MG 1 12 SER HA 4.650 . 4.650 4.534 4.344 4.670 0.020 5 0 "[ . 1 . 2 . 3]" 1
626 1 12 SER HA 1 13 LEU HG 5.500 . 5.500 5.197 4.690 5.531 0.031 24 0 "[ . 1 . 2 . 3]" 1
627 1 12 SER HA 1 13 LEU MD2 4.900 . 4.900 3.915 3.421 4.704 . 0 0 "[ . 1 . 2 . 3]" 1
628 1 12 SER HA 2 2 VAL QG 5.500 . 5.500 5.765 5.570 5.994 0.494 30 0 "[ . 1 . 2 . 3]" 1
629 2 6 LEU HA 2 11 LEU MD2 5.500 . 5.500 5.226 4.916 5.566 0.066 29 0 "[ . 1 . 2 . 3]" 1
630 2 12 VAL HA 2 13 GLU HA 4.970 . 4.970 4.843 4.799 4.879 . 0 0 "[ . 1 . 2 . 3]" 1
631 1 17 GLU HA 2 19 CYS HB3 5.240 . 5.240 4.896 4.627 5.255 0.015 6 0 "[ . 1 . 2 . 3]" 1
632 2 20 GLY QA 2 25 PHE HB2 5.060 . 5.060 2.067 1.868 2.539 . 0 0 "[ . 1 . 2 . 3]" 1
633 1 12 SER HA 2 3 ASN QB 5.020 . 5.020 2.463 2.116 2.842 . 0 0 "[ . 1 . 2 . 3]" 1
634 2 3 ASN QB 2 4 GLN HA 4.840 . 4.840 4.467 4.369 4.586 . 0 0 "[ . 1 . 2 . 3]" 1
635 2 3 ASN HA 2 4 GLN HG2 4.890 . 4.890 3.631 3.442 3.854 . 0 0 "[ . 1 . 2 . 3]" 1
636 2 4 GLN HA 2 4 GLN HG3 3.840 . 3.840 3.824 3.770 3.857 0.017 17 0 "[ . 1 . 2 . 3]" 1
637 2 10 HIS HA 2 13 GLU HB3 4.340 . 4.340 4.026 3.775 4.214 . 0 0 "[ . 1 . 2 . 3]" 1
638 2 10 HIS HA 2 13 GLU HB2 3.850 . 3.850 2.446 2.275 2.601 . 0 0 "[ . 1 . 2 . 3]" 1
639 2 19 CYS HA 2 22 ARG HB2 4.950 . 4.950 2.710 2.196 3.517 . 0 0 "[ . 1 . 2 . 3]" 1
640 2 19 CYS HA 2 22 ARG HB3 4.950 . 4.950 3.272 2.118 4.963 0.013 19 0 "[ . 1 . 2 . 3]" 1
641 2 19 CYS HA 2 22 ARG HG2 5.370 . 5.370 4.217 2.984 5.356 . 0 0 "[ . 1 . 2 . 3]" 1
642 2 19 CYS HA 2 22 ARG HG3 5.370 . 5.370 4.305 2.582 5.388 0.018 8 0 "[ . 1 . 2 . 3]" 1
643 1 2 ILE MD 2 11 LEU HA 5.500 . 5.500 5.278 4.742 5.537 0.037 11 0 "[ . 1 . 2 . 3]" 1
644 2 11 LEU HA 2 15 LEU MD1 5.500 . 5.500 5.363 4.974 5.600 0.100 22 0 "[ . 1 . 2 . 3]" 1
645 1 13 LEU HG 1 14 TYR HA 4.860 . 4.860 3.669 3.412 3.913 . 0 0 "[ . 1 . 2 . 3]" 1
646 1 13 LEU QB 1 14 TYR HA 4.770 . 4.770 4.470 4.355 4.555 . 0 0 "[ . 1 . 2 . 3]" 1
647 1 16 LEU HG 2 15 LEU HA 5.010 . 5.010 4.024 3.210 5.066 0.056 29 0 "[ . 1 . 2 . 3]" 1
648 2 17 LEU HB3 2 18 VAL HA 4.930 . 4.930 4.271 4.163 4.372 . 0 0 "[ . 1 . 2 . 3]" 1
649 1 3 VAL MG1 1 7 CYS HB2 4.930 . 4.930 2.976 2.267 5.002 0.072 19 0 "[ . 1 . 2 . 3]" 1
650 2 12 VAL HA 2 15 LEU HG 5.230 . 5.230 4.965 4.244 5.264 0.034 14 0 "[ . 1 . 2 . 3]" 1
651 2 11 LEU MD1 2 12 VAL HA 5.500 . 5.500 5.252 5.020 5.392 . 0 0 "[ . 1 . 2 . 3]" 1
652 2 12 VAL HA 2 15 LEU MD2 5.490 . 5.490 5.190 4.942 5.323 . 0 0 "[ . 1 . 2 . 3]" 1
653 2 11 LEU MD2 2 12 VAL HA 4.640 . 4.640 4.070 3.620 4.352 . 0 0 "[ . 1 . 2 . 3]" 1
654 2 18 VAL MG1 2 19 CYS HB3 5.030 . 5.030 3.587 3.327 4.205 . 0 0 "[ . 1 . 2 . 3]" 1
655 2 18 VAL MG1 2 19 CYS HB2 4.960 . 4.960 2.449 2.177 2.872 . 0 0 "[ . 1 . 2 . 3]" 1
656 2 16 TYR QB 2 17 LEU HG 4.830 . 4.830 3.433 3.229 3.592 . 0 0 "[ . 1 . 2 . 3]" 1
657 2 13 GLU QG 2 16 TYR QB 4.710 . 4.710 4.061 3.829 4.230 . 0 0 "[ . 1 . 2 . 3]" 1
658 2 13 GLU QG 2 17 LEU HG 4.950 . 4.950 4.734 4.427 4.943 . 0 0 "[ . 1 . 2 . 3]" 1
659 2 15 LEU MD2 2 19 CYS HB2 4.700 . 4.700 2.960 2.310 3.393 . 0 0 "[ . 1 . 2 . 3]" 1
660 1 13 LEU HG 1 17 GLU HG3 5.500 . 5.500 5.143 4.656 5.514 0.014 16 0 "[ . 1 . 2 . 3]" 1
661 2 13 GLU QG 2 14 ALA MB 5.500 . 5.500 5.474 5.406 5.530 0.030 22 0 "[ . 1 . 2 . 3]" 1
662 2 6 LEU QB 2 14 ALA MB 4.790 . 4.790 3.310 3.174 3.487 . 0 0 "[ . 1 . 2 . 3]" 1
663 2 6 LEU HG 2 14 ALA MB 4.930 . 4.930 4.291 4.144 4.436 . 0 0 "[ . 1 . 2 . 3]" 1
664 2 14 ALA MB 2 15 LEU HB2 5.160 . 5.160 3.969 3.813 4.153 . 0 0 "[ . 1 . 2 . 3]" 1
665 1 13 LEU QB 2 18 VAL MG2 4.550 . 4.550 2.038 1.956 2.137 . 0 0 "[ . 1 . 2 . 3]" 1
666 1 16 LEU MD1 2 15 LEU HG 4.480 . 4.480 2.975 1.934 4.360 . 0 0 "[ . 1 . 2 . 3]" 1
667 1 2 ILE HB 2 11 LEU MD1 5.500 . 5.500 4.560 4.422 4.763 . 0 0 "[ . 1 . 2 . 3]" 1
668 2 11 LEU HB3 2 12 VAL MG2 5.360 . 5.360 3.408 3.157 4.888 . 0 0 "[ . 1 . 2 . 3]" 1
669 1 16 LEU MD1 2 14 ALA MB 3.960 . 3.960 3.137 2.118 3.825 . 0 0 "[ . 1 . 2 . 3]" 1
670 1 2 ILE QG 2 11 LEU HA 5.500 . 5.500 5.524 5.316 5.709 0.209 21 0 "[ . 1 . 2 . 3]" 1
671 1 14 TYR HB3 1 15 GLN HA 5.080 . 5.080 4.259 4.104 4.369 . 0 0 "[ . 1 . 2 . 3]" 1
672 2 15 LEU HA 2 19 CYS HB2 5.410 . 5.410 4.273 3.672 4.673 . 0 0 "[ . 1 . 2 . 3]" 1
673 2 20 GLY QA 2 25 PHE HB3 5.060 . 5.060 3.403 2.415 3.872 . 0 0 "[ . 1 . 2 . 3]" 1
674 2 19 CYS HB3 2 20 GLY QA 4.360 . 4.360 3.758 3.610 3.938 . 0 0 "[ . 1 . 2 . 3]" 1
675 2 7 CYS HA 2 11 LEU MD2 5.160 . 5.160 4.427 4.198 4.695 . 0 0 "[ . 1 . 2 . 3]" 1
676 2 15 LEU HB3 2 25 PHE QE 4.810 . 4.810 2.053 1.916 2.391 . 0 0 "[ . 1 . 2 . 3]" 1
677 1 18 ASN HA 1 20 CYS H 4.150 . 4.150 3.565 3.284 3.736 . 0 0 "[ . 1 . 2 . 3]" 1
678 1 17 GLU HA 1 20 CYS H 3.960 . 3.960 3.452 3.268 3.696 . 0 0 "[ . 1 . 2 . 3]" 1
679 2 22 ARG HA 2 22 ARG HE 5.500 . 5.500 4.026 2.459 5.278 . 0 0 "[ . 1 . 2 . 3]" 1
680 2 1 PHE HZ 2 18 VAL MG1 5.160 . 5.160 4.371 4.053 4.662 . 0 0 "[ . 1 . 2 . 3]" 1
681 2 1 PHE QD 2 18 VAL MG1 4.910 . 4.910 4.165 3.705 4.493 . 0 0 "[ . 1 . 2 . 3]" 1
682 1 13 LEU MD2 1 14 TYR QD 5.500 . 5.500 5.480 5.187 5.721 0.221 30 0 "[ . 1 . 2 . 3]" 1
683 1 12 SER HA 2 1 PHE QD 4.940 . 4.940 4.095 3.810 4.329 . 0 0 "[ . 1 . 2 . 3]" 1
684 2 19 CYS HA 2 22 ARG HE 5.470 . 5.470 4.571 2.278 5.493 0.023 12 0 "[ . 1 . 2 . 3]" 1
685 1 19 TYR H 1 20 CYS HA 5.290 . 5.290 4.880 4.536 5.025 . 0 0 "[ . 1 . 2 . 3]" 1
686 2 17 LEU H 2 18 VAL HA 5.240 . 5.240 5.275 5.256 5.291 0.051 10 0 "[ . 1 . 2 . 3]" 1
687 1 13 LEU H 1 14 TYR HA 5.440 . 5.440 5.370 5.293 5.453 0.013 30 0 "[ . 1 . 2 . 3]" 1
688 2 11 LEU HA 2 13 GLU H 5.200 . 5.200 4.494 4.342 4.576 . 0 0 "[ . 1 . 2 . 3]" 1
689 2 9 SER QB 2 13 GLU H 4.940 . 4.940 4.431 4.381 4.617 . 0 0 "[ . 1 . 2 . 3]" 1
690 2 22 ARG QD 2 23 GLY H 4.680 . 4.680 4.698 3.637 5.036 0.356 27 0 "[ . 1 . 2 . 3]" 1
691 1 17 GLU H 1 19 TYR HB2 5.500 . 5.500 5.543 5.468 5.577 0.077 28 0 "[ . 1 . 2 . 3]" 1
692 1 4 GLU HA 1 8 THR H 4.700 . 4.700 3.154 2.783 3.666 . 0 0 "[ . 1 . 2 . 3]" 1
693 1 8 THR H 1 8 THR HB 4.150 . 4.150 2.554 2.477 2.641 . 0 0 "[ . 1 . 2 . 3]" 1
694 1 4 GLU H 1 8 THR HB 5.490 . 5.490 5.231 4.913 5.573 0.083 23 0 "[ . 1 . 2 . 3]" 1
695 1 2 ILE MD 1 16 LEU MD2 3.790 . 3.790 3.230 2.073 3.909 0.119 30 0 "[ . 1 . 2 . 3]" 1
696 1 2 ILE MD 2 11 LEU MD1 4.290 . 4.290 3.037 2.272 3.352 . 0 0 "[ . 1 . 2 . 3]" 1
697 1 2 ILE MD 2 11 LEU MD2 3.180 . 3.180 2.082 1.951 2.226 . 0 0 "[ . 1 . 2 . 3]" 1
698 2 23 GLY H 2 24 GLY H 3.790 . 3.790 3.166 1.929 3.897 0.107 14 0 "[ . 1 . 2 . 3]" 1
699 1 7 CYS HA 2 11 LEU HG 5.500 . 5.500 5.146 4.801 5.443 . 0 0 "[ . 1 . 2 . 3]" 1
700 2 12 VAL MG1 2 26 TYR QE 5.440 . 5.440 4.470 3.774 5.714 0.274 25 0 "[ . 1 . 2 . 3]" 1
701 2 15 LEU MD1 2 25 PHE HZ 4.730 . 4.730 3.802 2.672 4.792 0.062 11 0 "[ . 1 . 2 . 3]" 1
702 2 15 LEU MD2 2 26 TYR QE 5.280 . 5.280 3.365 2.803 3.973 . 0 0 "[ . 1 . 2 . 3]" 1
703 1 20 CYS HA 2 26 TYR QE 5.160 . 5.160 4.472 3.569 5.153 . 0 0 "[ . 1 . 2 . 3]" 1
704 2 26 TYR H 2 26 TYR QE 4.400 . 4.400 3.983 3.789 4.297 . 0 0 "[ . 1 . 2 . 3]" 1
705 2 26 TYR H 2 26 TYR QD 3.700 . 3.700 2.491 1.905 2.832 . 0 0 "[ . 1 . 2 . 3]" 1
706 2 12 VAL MG2 2 25 PHE HZ 4.280 . 4.280 3.919 2.132 4.348 0.068 23 0 "[ . 1 . 2 . 3]" 1
707 2 12 VAL MG1 2 25 PHE HZ 4.280 . 4.280 2.421 2.000 4.210 . 0 0 "[ . 1 . 2 . 3]" 1
708 2 25 PHE QE 2 26 TYR H 5.150 . 5.150 4.019 3.605 4.522 . 0 0 "[ . 1 . 2 . 3]" 1
709 1 10 ILE HG13 2 5 HIS HD2 5.500 . 5.500 5.341 5.115 5.506 0.006 23 0 "[ . 1 . 2 . 3]" 1
710 2 15 LEU HA 2 15 LEU MD1 3.890 . 3.890 3.784 3.706 3.849 . 0 0 "[ . 1 . 2 . 3]" 1
711 1 13 LEU MD1 1 14 TYR HA 4.620 . 4.620 3.860 2.877 4.554 . 0 0 "[ . 1 . 2 . 3]" 1
712 1 16 LEU HA 2 15 LEU MD2 5.060 . 5.060 3.938 3.354 4.439 . 0 0 "[ . 1 . 2 . 3]" 1
713 1 17 GLU HA 2 15 LEU MD2 5.310 . 5.310 3.834 3.573 4.114 . 0 0 "[ . 1 . 2 . 3]" 1
714 1 2 ILE MD 2 11 LEU HB3 5.360 . 5.360 4.775 3.598 5.267 . 0 0 "[ . 1 . 2 . 3]" 1
715 2 11 LEU HB3 2 15 LEU MD1 5.500 . 5.500 4.384 3.915 4.664 . 0 0 "[ . 1 . 2 . 3]" 1
716 1 2 ILE HB 1 16 LEU QD 5.440 . 5.440 5.152 4.679 5.531 0.091 15 0 "[ . 1 . 2 . 3]" 1
717 1 2 ILE MG 1 3 VAL QG 3.370 . 3.370 2.488 2.116 3.526 0.156 21 0 "[ . 1 . 2 . 3]" 1
718 1 2 ILE MD 1 6 CYS QB 4.850 . 4.850 3.352 2.283 3.855 . 0 0 "[ . 1 . 2 . 3]" 1
719 1 3 VAL H 1 3 VAL QG 2.800 . 2.800 2.162 1.840 2.286 . 0 0 "[ . 1 . 2 . 3]" 1
720 1 3 VAL QG 1 4 GLU HA 4.120 . 4.120 3.313 3.139 3.516 . 0 0 "[ . 1 . 2 . 3]" 1
721 1 3 VAL QG 1 4 GLU QG 4.450 . 4.450 3.110 2.188 3.968 . 0 0 "[ . 1 . 2 . 3]" 1
722 1 3 VAL QG 1 5 GLN H 5.440 . 5.440 4.371 3.931 4.579 . 0 0 "[ . 1 . 2 . 3]" 1
723 1 3 VAL QG 1 7 CYS H 4.180 . 4.180 3.638 3.461 3.801 . 0 0 "[ . 1 . 2 . 3]" 1
724 1 3 VAL QG 1 7 CYS QB 3.230 . 3.230 2.298 2.106 2.475 . 0 0 "[ . 1 . 2 . 3]" 1
725 1 3 VAL QG 1 8 THR HB 5.440 . 5.440 4.840 4.462 5.394 . 0 0 "[ . 1 . 2 . 3]" 1
726 1 4 GLU H 1 7 CYS QB 5.340 . 5.340 4.995 4.858 5.114 . 0 0 "[ . 1 . 2 . 3]" 1
727 1 5 GLN H 1 5 GLN QG 4.680 . 4.680 3.540 2.604 4.135 . 0 0 "[ . 1 . 2 . 3]" 1
728 1 5 GLN HA 1 5 GLN QG 3.530 . 3.530 2.564 2.192 2.911 . 0 0 "[ . 1 . 2 . 3]" 1
729 1 5 GLN QB 1 6 CYS H 4.170 . 4.170 2.691 2.310 3.020 . 0 0 "[ . 1 . 2 . 3]" 1
730 1 5 GLN QB 1 19 TYR QE 3.970 . 3.970 3.515 3.122 3.772 . 0 0 "[ . 1 . 2 . 3]" 1
731 1 5 GLN QG 1 6 CYS H 5.340 . 5.340 4.218 3.724 4.702 . 0 0 "[ . 1 . 2 . 3]" 1
732 1 5 GLN QG 1 19 TYR QE 4.640 . 4.640 3.520 2.581 4.514 . 0 0 "[ . 1 . 2 . 3]" 1
733 1 6 CYS H 1 6 CYS QB 3.470 . 3.470 2.387 2.241 2.518 . 0 0 "[ . 1 . 2 . 3]" 1
734 1 6 CYS QB 1 7 CYS H 3.840 . 3.840 2.737 2.540 3.099 . 0 0 "[ . 1 . 2 . 3]" 1
735 1 6 CYS QB 1 16 LEU QD 4.500 . 4.500 3.548 2.996 3.746 . 0 0 "[ . 1 . 2 . 3]" 1
736 1 6 CYS QB 2 7 CYS HA 5.290 . 5.290 4.242 3.975 4.865 . 0 0 "[ . 1 . 2 . 3]" 1
737 1 6 CYS QB 2 11 LEU HG 4.290 . 4.290 2.733 2.423 3.257 . 0 0 "[ . 1 . 2 . 3]" 1
738 1 6 CYS QB 2 11 LEU MD1 3.620 . 3.620 2.165 2.051 2.371 . 0 0 "[ . 1 . 2 . 3]" 1
739 1 7 CYS H 1 7 CYS QB 3.600 . 3.600 2.375 2.242 2.525 . 0 0 "[ . 1 . 2 . 3]" 1
740 1 7 CYS QB 1 8 THR H 4.190 . 4.190 2.440 2.195 3.136 . 0 0 "[ . 1 . 2 . 3]" 1
741 1 7 CYS QB 2 7 CYS HA 4.400 . 4.400 3.572 2.883 4.320 . 0 0 "[ . 1 . 2 . 3]" 1
742 1 7 CYS QB 2 11 LEU MD1 4.230 . 4.230 3.612 2.912 4.360 0.130 24 0 "[ . 1 . 2 . 3]" 1
743 1 8 THR HB 1 9 SER QB 4.910 . 4.910 4.071 3.723 4.364 . 0 0 "[ . 1 . 2 . 3]" 1
744 1 8 THR MG 1 9 SER QB 4.730 . 4.730 3.945 3.308 4.441 . 0 0 "[ . 1 . 2 . 3]" 1
745 1 9 SER QB 1 10 ILE H 3.150 . 3.150 2.029 1.908 2.270 . 0 0 "[ . 1 . 2 . 3]" 1
746 1 9 SER QB 1 10 ILE HA 5.340 . 5.340 4.322 4.196 4.519 . 0 0 "[ . 1 . 2 . 3]" 1
747 1 9 SER QB 1 10 ILE MG 5.340 . 5.340 4.995 4.878 5.154 . 0 0 "[ . 1 . 2 . 3]" 1
748 1 9 SER QB 2 5 HIS HE1 4.040 . 4.040 4.076 3.925 4.137 0.097 28 0 "[ . 1 . 2 . 3]" 1
749 1 10 ILE MG 2 3 ASN QD 4.190 . 4.190 3.132 1.886 4.308 0.118 22 0 "[ . 1 . 2 . 3]" 1
750 1 10 ILE MG 2 4 GLN QB 4.540 . 4.540 4.318 4.156 4.492 . 0 0 "[ . 1 . 2 . 3]" 1
751 1 10 ILE MD 2 4 GLN QB 4.330 . 4.330 3.688 3.563 3.796 . 0 0 "[ . 1 . 2 . 3]" 1
752 1 12 SER H 1 15 GLN QB 3.570 . 3.570 2.552 2.187 2.938 . 0 0 "[ . 1 . 2 . 3]" 1
753 1 12 SER HA 2 3 ASN QD 5.150 . 5.150 4.807 4.332 5.207 0.057 1 0 "[ . 1 . 2 . 3]" 1
754 1 12 SER QB 1 13 LEU H 3.230 . 3.230 2.683 2.239 3.338 0.108 14 0 "[ . 1 . 2 . 3]" 1
755 1 12 SER QB 1 14 TYR H 3.540 . 3.540 2.692 2.439 2.981 . 0 0 "[ . 1 . 2 . 3]" 1
756 1 12 SER QB 1 14 TYR HB2 5.230 . 5.230 3.726 3.276 4.068 . 0 0 "[ . 1 . 2 . 3]" 1
757 1 12 SER QB 1 14 TYR QD 5.150 . 5.150 4.739 4.150 5.362 0.212 29 0 "[ . 1 . 2 . 3]" 1
758 1 12 SER QB 1 15 GLN H 4.550 . 4.550 3.118 2.705 3.807 . 0 0 "[ . 1 . 2 . 3]" 1
759 1 13 LEU H 1 16 LEU QD 4.740 . 4.740 4.184 3.649 4.811 0.071 25 0 "[ . 1 . 2 . 3]" 1
760 1 13 LEU HA 1 16 LEU QD 3.600 . 3.600 2.921 2.335 3.486 . 0 0 "[ . 1 . 2 . 3]" 1
761 1 14 TYR QD 1 15 GLN QB 5.340 . 5.340 4.473 3.376 4.735 . 0 0 "[ . 1 . 2 . 3]" 1
762 1 14 TYR QD 1 15 GLN QG 4.250 . 4.250 3.232 2.613 4.151 . 0 0 "[ . 1 . 2 . 3]" 1
763 1 14 TYR QD 1 15 GLN QE 4.820 . 4.820 3.823 2.525 5.004 0.184 29 0 "[ . 1 . 2 . 3]" 1
764 1 14 TYR QE 1 15 GLN QG 5.340 . 5.340 4.818 4.174 5.420 0.080 28 0 "[ . 1 . 2 . 3]" 1
765 1 15 GLN H 1 15 GLN QB 2.980 . 2.980 2.310 2.068 2.435 . 0 0 "[ . 1 . 2 . 3]" 1
766 1 15 GLN HA 1 15 GLN QG 3.270 . 3.270 2.462 2.229 2.920 . 0 0 "[ . 1 . 2 . 3]" 1
767 1 15 GLN HA 1 15 GLN QE 5.340 . 5.340 4.021 3.131 4.879 . 0 0 "[ . 1 . 2 . 3]" 1
768 1 15 GLN HA 1 16 LEU QD 5.440 . 5.440 4.914 4.654 5.195 . 0 0 "[ . 1 . 2 . 3]" 1
769 1 15 GLN HA 1 18 ASN QB 4.010 . 4.010 3.478 2.985 3.839 . 0 0 "[ . 1 . 2 . 3]" 1
770 1 15 GLN QB 1 15 GLN QE 4.000 . 4.000 3.537 2.758 3.785 . 0 0 "[ . 1 . 2 . 3]" 1
771 1 15 GLN QB 1 16 LEU H 3.610 . 3.610 2.623 2.520 2.788 . 0 0 "[ . 1 . 2 . 3]" 1
772 1 15 GLN QE 1 15 GLN QG 2.950 . 2.950 2.140 2.074 2.244 . 0 0 "[ . 1 . 2 . 3]" 1
773 1 16 LEU H 1 16 LEU QD 3.090 . 3.090 2.530 2.307 3.099 0.009 29 0 "[ . 1 . 2 . 3]" 1
774 1 16 LEU HA 1 16 LEU QD 3.090 . 3.090 2.198 1.981 2.638 . 0 0 "[ . 1 . 2 . 3]" 1
775 1 16 LEU HB3 1 16 LEU QD 3.110 . 3.110 2.224 2.064 2.501 . 0 0 "[ . 1 . 2 . 3]" 1
776 1 16 LEU QD 1 19 TYR HB2 5.440 . 5.440 3.865 3.236 4.526 . 0 0 "[ . 1 . 2 . 3]" 1
777 1 16 LEU QD 1 19 TYR QD 3.760 . 3.760 3.040 2.131 3.650 . 0 0 "[ . 1 . 2 . 3]" 1
778 1 16 LEU QD 1 19 TYR QE 4.050 . 4.050 3.247 2.476 3.866 . 0 0 "[ . 1 . 2 . 3]" 1
779 1 16 LEU QD 2 1 PHE QE 4.080 . 4.080 2.728 2.027 3.440 . 0 0 "[ . 1 . 2 . 3]" 1
780 1 16 LEU QD 2 1 PHE HZ 4.110 . 4.110 2.324 2.008 2.871 . 0 0 "[ . 1 . 2 . 3]" 1
781 1 16 LEU QD 2 12 VAL HA 5.440 . 5.440 5.146 4.695 5.478 0.038 28 0 "[ . 1 . 2 . 3]" 1
782 1 16 LEU QD 2 14 ALA H 5.440 . 5.440 4.502 4.184 4.892 . 0 0 "[ . 1 . 2 . 3]" 1
783 1 16 LEU QD 2 14 ALA MB 3.080 . 3.080 2.386 2.033 2.788 . 0 0 "[ . 1 . 2 . 3]" 1
784 1 16 LEU QD 2 15 LEU H 3.450 . 3.450 3.119 2.871 3.618 0.168 30 0 "[ . 1 . 2 . 3]" 1
785 1 16 LEU QD 2 15 LEU HA 3.860 . 3.860 2.290 2.072 3.323 . 0 0 "[ . 1 . 2 . 3]" 1
786 1 16 LEU QD 2 15 LEU HG 3.530 . 3.530 2.210 1.933 2.751 . 0 0 "[ . 1 . 2 . 3]" 1
787 1 16 LEU QD 2 18 VAL MG1 3.250 . 3.250 2.549 2.128 3.269 0.019 14 0 "[ . 1 . 2 . 3]" 1
788 1 17 GLU H 1 17 GLU QB 3.210 . 3.210 2.358 2.273 2.453 . 0 0 "[ . 1 . 2 . 3]" 1
789 1 17 GLU HA 1 20 CYS QB 5.340 . 5.340 2.851 2.446 4.121 . 0 0 "[ . 1 . 2 . 3]" 1
790 1 17 GLU QB 1 19 TYR H 4.830 . 4.830 4.509 4.395 4.633 . 0 0 "[ . 1 . 2 . 3]" 1
791 1 17 GLU QB 2 18 VAL MG1 5.300 . 5.300 4.616 4.418 4.829 . 0 0 "[ . 1 . 2 . 3]" 1
792 1 18 ASN H 1 18 ASN QB 2.940 . 2.940 2.405 2.307 2.482 . 0 0 "[ . 1 . 2 . 3]" 1
793 1 18 ASN H 1 18 ASN QD 4.070 . 4.070 2.968 2.204 3.613 . 0 0 "[ . 1 . 2 . 3]" 1
794 1 18 ASN HA 1 18 ASN QD 4.340 . 4.340 3.893 3.473 4.095 . 0 0 "[ . 1 . 2 . 3]" 1
795 1 18 ASN QB 1 19 TYR H 3.610 . 3.610 3.098 2.942 3.211 . 0 0 "[ . 1 . 2 . 3]" 1
796 1 18 ASN QB 1 19 TYR QD 4.240 . 4.240 3.728 3.247 4.076 . 0 0 "[ . 1 . 2 . 3]" 1
797 1 18 ASN QB 1 19 TYR QE 4.570 . 4.570 3.947 3.278 4.321 . 0 0 "[ . 1 . 2 . 3]" 1
798 1 19 TYR H 1 20 CYS QB 4.420 . 4.420 4.054 3.607 4.518 0.098 23 0 "[ . 1 . 2 . 3]" 1
799 1 20 CYS H 1 20 CYS QB 3.080 . 3.080 2.350 2.204 2.487 . 0 0 "[ . 1 . 2 . 3]" 1
800 1 20 CYS QB 1 21 ASN H 3.430 . 3.430 2.591 2.187 3.239 . 0 0 "[ . 1 . 2 . 3]" 1
801 1 21 ASN H 1 21 ASN QB 3.420 . 3.420 2.731 2.197 3.128 . 0 0 "[ . 1 . 2 . 3]" 1
802 2 1 PHE QE 2 6 LEU QD 4.590 . 4.590 3.268 2.936 3.597 . 0 0 "[ . 1 . 2 . 3]" 1
803 2 1 PHE HZ 2 6 LEU QD 4.890 . 4.890 2.809 2.319 3.252 . 0 0 "[ . 1 . 2 . 3]" 1
804 2 2 VAL QG 2 3 ASN QD 4.950 . 4.950 3.676 2.975 4.381 . 0 0 "[ . 1 . 2 . 3]" 1
805 2 2 VAL QG 2 4 GLN QE 3.760 . 3.760 2.502 2.045 3.049 . 0 0 "[ . 1 . 2 . 3]" 1
806 2 3 ASN H 2 3 ASN QD 4.040 . 4.040 2.902 1.996 3.898 . 0 0 "[ . 1 . 2 . 3]" 1
807 2 3 ASN HA 2 3 ASN QD 4.420 . 4.420 4.014 3.905 4.141 . 0 0 "[ . 1 . 2 . 3]" 1
808 2 4 GLN H 2 6 LEU QD 4.480 . 4.480 3.349 2.982 3.633 . 0 0 "[ . 1 . 2 . 3]" 1
809 2 4 GLN QB 2 4 GLN QE 3.960 . 3.960 2.984 2.531 3.509 . 0 0 "[ . 1 . 2 . 3]" 1
810 2 4 GLN QB 2 5 HIS H 3.330 . 3.330 2.239 2.145 2.340 . 0 0 "[ . 1 . 2 . 3]" 1
811 2 4 GLN QB 2 5 HIS HD2 4.640 . 4.640 4.583 4.383 4.673 0.033 2 0 "[ . 1 . 2 . 3]" 1
812 2 4 GLN QB 2 6 LEU HG 5.240 . 5.240 4.161 4.095 4.301 . 0 0 "[ . 1 . 2 . 3]" 1
813 2 4 GLN QB 2 6 LEU QD 5.280 . 5.280 3.999 3.886 4.093 . 0 0 "[ . 1 . 2 . 3]" 1
814 2 4 GLN HG2 2 6 LEU QD 4.170 . 4.170 2.744 2.551 2.911 . 0 0 "[ . 1 . 2 . 3]" 1
815 2 4 GLN HG3 2 6 LEU QD 4.090 . 4.090 2.720 2.550 2.849 . 0 0 "[ . 1 . 2 . 3]" 1
816 2 4 GLN QE 2 6 LEU QD 3.730 . 3.730 3.010 2.257 3.398 . 0 0 "[ . 1 . 2 . 3]" 1
817 2 5 HIS HA 2 6 LEU QD 5.140 . 5.140 4.399 4.211 4.785 . 0 0 "[ . 1 . 2 . 3]" 1
818 2 6 LEU H 2 6 LEU QD 4.250 . 4.250 3.582 3.154 3.709 . 0 0 "[ . 1 . 2 . 3]" 1
819 2 6 LEU HA 2 6 LEU QD 2.830 . 2.830 2.271 2.175 2.458 . 0 0 "[ . 1 . 2 . 3]" 1
820 2 6 LEU HA 2 7 CYS QB 4.550 . 4.550 3.900 3.806 3.984 . 0 0 "[ . 1 . 2 . 3]" 1
821 2 6 LEU QB 2 10 HIS QB 4.640 . 4.640 3.504 2.991 3.823 . 0 0 "[ . 1 . 2 . 3]" 1
822 2 6 LEU QD 2 7 CYS H 3.570 . 3.570 3.413 3.312 3.556 . 0 0 "[ . 1 . 2 . 3]" 1
823 2 6 LEU QD 2 10 HIS H 5.150 . 5.150 5.033 4.906 5.148 . 0 0 "[ . 1 . 2 . 3]" 1
824 2 6 LEU QD 2 10 HIS QB 3.090 . 3.090 2.753 2.369 3.032 . 0 0 "[ . 1 . 2 . 3]" 1
825 2 6 LEU QD 2 10 HIS HD2 4.080 . 4.080 3.454 3.217 3.689 . 0 0 "[ . 1 . 2 . 3]" 1
826 2 6 LEU QD 2 10 HIS HE1 4.980 . 4.980 3.945 3.293 4.741 . 0 0 "[ . 1 . 2 . 3]" 1
827 2 6 LEU QD 2 11 LEU H 4.820 . 4.820 4.018 3.918 4.159 . 0 0 "[ . 1 . 2 . 3]" 1
828 2 6 LEU QD 2 11 LEU HA 3.390 . 3.390 2.784 2.631 3.008 . 0 0 "[ . 1 . 2 . 3]" 1
829 2 6 LEU QD 2 11 LEU HG 4.500 . 4.500 3.590 3.462 3.814 . 0 0 "[ . 1 . 2 . 3]" 1
830 2 6 LEU QD 2 14 ALA HA 5.200 . 5.200 3.922 3.744 4.057 . 0 0 "[ . 1 . 2 . 3]" 1
831 2 6 LEU QD 2 14 ALA MB 2.700 . 2.700 1.969 1.883 2.026 . 0 0 "[ . 1 . 2 . 3]" 1
832 2 7 CYS HA 2 10 HIS QB 5.340 . 5.340 4.774 4.651 4.936 . 0 0 "[ . 1 . 2 . 3]" 1
833 2 7 CYS QB 2 8 GLY H 4.270 . 4.270 3.098 2.920 3.251 . 0 0 "[ . 1 . 2 . 3]" 1
834 2 7 CYS QB 2 11 LEU MD1 4.660 . 4.660 4.063 3.921 4.265 . 0 0 "[ . 1 . 2 . 3]" 1
835 2 8 GLY QA 2 10 HIS H 4.010 . 4.010 3.417 3.320 3.548 . 0 0 "[ . 1 . 2 . 3]" 1
836 2 9 SER HA 2 12 VAL QG 3.100 . 3.100 2.579 1.986 2.735 . 0 0 "[ . 1 . 2 . 3]" 1
837 2 9 SER QB 2 12 VAL QG 4.500 . 4.500 3.812 3.121 4.032 . 0 0 "[ . 1 . 2 . 3]" 1
838 2 10 HIS H 2 10 HIS QB 3.050 . 3.050 2.135 2.034 2.202 . 0 0 "[ . 1 . 2 . 3]" 1
839 2 10 HIS H 2 12 VAL QG 4.720 . 4.720 4.747 4.494 4.850 0.130 30 0 "[ . 1 . 2 . 3]" 1
840 2 10 HIS HA 2 12 VAL QG 5.440 . 5.440 5.194 4.512 5.359 . 0 0 "[ . 1 . 2 . 3]" 1
841 2 10 HIS QB 2 11 LEU H 4.310 . 4.310 2.720 2.641 2.832 . 0 0 "[ . 1 . 2 . 3]" 1
842 2 10 HIS QB 2 13 GLU HB2 5.060 . 5.060 4.506 4.348 4.668 . 0 0 "[ . 1 . 2 . 3]" 1
843 2 11 LEU H 2 12 VAL QG 4.510 . 4.510 4.080 3.987 4.610 0.100 26 0 "[ . 1 . 2 . 3]" 1
844 2 11 LEU HA 2 12 VAL QG 5.440 . 5.440 4.859 4.788 5.143 . 0 0 "[ . 1 . 2 . 3]" 1
845 2 11 LEU HB3 2 12 VAL QG 4.480 . 4.480 3.330 3.134 4.233 . 0 0 "[ . 1 . 2 . 3]" 1
846 2 12 VAL H 2 12 VAL QG 3.170 . 3.170 2.139 2.041 2.881 . 0 0 "[ . 1 . 2 . 3]" 1
847 2 12 VAL HA 2 12 VAL QG 2.810 . 2.810 2.149 2.057 2.188 . 0 0 "[ . 1 . 2 . 3]" 1
848 2 12 VAL QG 2 14 ALA H 5.440 . 5.440 4.686 4.369 4.770 . 0 0 "[ . 1 . 2 . 3]" 1
849 2 12 VAL QG 2 15 LEU H 5.390 . 5.390 4.396 4.220 4.473 . 0 0 "[ . 1 . 2 . 3]" 1
850 2 12 VAL QG 2 15 LEU HB2 5.090 . 5.090 3.854 3.279 4.080 . 0 0 "[ . 1 . 2 . 3]" 1
851 2 12 VAL QG 2 16 TYR QB 3.860 . 3.860 3.291 3.113 3.443 . 0 0 "[ . 1 . 2 . 3]" 1
852 2 12 VAL QG 2 25 PHE QE 3.560 . 3.560 2.786 2.202 3.221 . 0 0 "[ . 1 . 2 . 3]" 1
853 2 12 VAL QG 2 25 PHE HZ 3.560 . 3.560 2.232 1.994 2.592 . 0 0 "[ . 1 . 2 . 3]" 1
854 2 12 VAL QG 2 26 TYR H 5.440 . 5.440 5.541 5.156 5.795 0.355 20 0 "[ . 1 . 2 . 3]" 1
855 2 12 VAL QG 2 26 TYR QD 5.180 . 5.180 5.006 4.657 5.303 0.123 7 0 "[ . 1 . 2 . 3]" 1
856 2 12 VAL QG 2 26 TYR QE 4.440 . 4.440 3.793 3.327 4.204 . 0 0 "[ . 1 . 2 . 3]" 1
857 2 12 VAL QG 2 28 PRO QG 4.320 . 4.320 2.102 1.945 2.569 . 0 0 "[ . 1 . 2 . 3]" 1
858 2 12 VAL QG 2 28 PRO QD 4.520 . 4.520 2.353 2.113 2.737 . 0 0 "[ . 1 . 2 . 3]" 1
859 2 16 TYR QD 2 21 GLU QB 5.340 . 5.340 5.130 3.954 5.374 0.034 15 0 "[ . 1 . 2 . 3]" 1
860 2 16 TYR QE 2 21 GLU QG 4.350 . 4.350 2.970 2.697 4.301 . 0 0 "[ . 1 . 2 . 3]" 1
861 2 19 CYS HA 2 22 ARG QB 4.350 . 4.350 2.418 2.042 3.313 . 0 0 "[ . 1 . 2 . 3]" 1
862 2 19 CYS HA 2 22 ARG QG 4.590 . 4.590 3.676 2.554 4.590 . 0 0 "[ . 1 . 2 . 3]" 1
863 2 20 GLY QA 2 25 PHE QB 4.440 . 4.440 2.042 1.853 2.507 . 0 0 "[ . 1 . 2 . 3]" 1
864 2 21 GLU H 2 21 GLU QB 3.120 . 3.120 2.383 2.276 2.576 . 0 0 "[ . 1 . 2 . 3]" 1
865 2 21 GLU H 2 21 GLU QG 3.510 . 3.510 2.412 2.079 2.704 . 0 0 "[ . 1 . 2 . 3]" 1
866 2 21 GLU H 2 22 ARG QB 4.780 . 4.780 4.212 3.660 4.817 0.037 27 0 "[ . 1 . 2 . 3]" 1
867 2 22 ARG H 2 22 ARG QB 3.140 . 3.140 2.391 2.179 2.695 . 0 0 "[ . 1 . 2 . 3]" 1
868 2 22 ARG H 2 22 ARG QG 4.600 . 4.600 3.772 2.308 4.293 . 0 0 "[ . 1 . 2 . 3]" 1
869 2 22 ARG H 2 23 GLY QA 5.340 . 5.340 4.109 3.854 4.449 . 0 0 "[ . 1 . 2 . 3]" 1
870 2 22 ARG HA 2 23 GLY QA 4.460 . 4.460 4.247 4.125 4.323 . 0 0 "[ . 1 . 2 . 3]" 1
871 2 22 ARG QB 2 22 ARG HE 3.840 . 3.840 2.822 2.100 3.893 0.053 21 0 "[ . 1 . 2 . 3]" 1
872 2 24 GLY H 2 25 PHE QB 4.480 . 4.480 3.893 3.091 4.514 0.034 25 0 "[ . 1 . 2 . 3]" 1
873 2 25 PHE QB 2 26 TYR H 3.680 . 3.680 3.152 2.649 3.645 . 0 0 "[ . 1 . 2 . 3]" 1
874 2 25 PHE QB 2 26 TYR QD 5.340 . 5.340 4.873 4.556 5.332 . 0 0 "[ . 1 . 2 . 3]" 1
875 2 26 TYR H 2 26 TYR QB 3.160 . 3.160 2.884 2.666 3.083 . 0 0 "[ . 1 . 2 . 3]" 1
876 2 26 TYR QD 2 28 PRO QB 5.340 . 5.340 3.497 3.229 3.793 . 0 0 "[ . 1 . 2 . 3]" 1
877 2 26 TYR QE 2 28 PRO QB 4.170 . 4.170 2.364 2.074 2.745 . 0 0 "[ . 1 . 2 . 3]" 1
878 1 6 CYS SG 1 11 CYS SG 2.100 . 2.100 2.030 2.013 2.039 . 0 0 "[ . 1 . 2 . 3]" 1
879 1 6 CYS SG 1 11 CYS CB 3.100 3.000 3.100 3.023 2.996 3.057 0.004 5 0 "[ . 1 . 2 . 3]" 1
880 1 6 CYS CB 1 11 CYS SG 3.100 3.000 3.100 3.029 2.998 3.085 0.002 15 0 "[ . 1 . 2 . 3]" 1
881 1 7 CYS SG 2 7 CYS SG 2.100 . 2.100 2.035 2.027 2.041 . 0 0 "[ . 1 . 2 . 3]" 1
882 1 7 CYS SG 2 7 CYS CB 3.100 3.000 3.100 3.041 3.012 3.071 . 0 0 "[ . 1 . 2 . 3]" 1
883 1 7 CYS CB 2 7 CYS SG 3.100 3.000 3.100 3.048 3.020 3.064 . 0 0 "[ . 1 . 2 . 3]" 1
884 1 20 CYS SG 2 19 CYS SG 2.100 . 2.100 2.024 2.016 2.036 . 0 0 "[ . 1 . 2 . 3]" 1
885 1 20 CYS SG 2 19 CYS CB 3.100 3.000 3.100 3.012 2.962 3.043 0.038 7 0 "[ . 1 . 2 . 3]" 1
886 1 20 CYS CB 2 19 CYS SG 3.100 3.000 3.100 3.014 2.989 3.051 0.011 16 0 "[ . 1 . 2 . 3]" 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 32
_Distance_constraint_stats_list.Viol_count 400
_Distance_constraint_stats_list.Viol_total 387.891
_Distance_constraint_stats_list.Viol_max 0.122
_Distance_constraint_stats_list.Viol_rms 0.0214
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0135
_Distance_constraint_stats_list.Viol_average_violations_only 0.0323
_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 2 ILE 0.013 0.013 29 0 "[ . 1 . 2 . 3]"
1 3 VAL 0.681 0.078 21 0 "[ . 1 . 2 . 3]"
1 6 CYS 0.013 0.013 29 0 "[ . 1 . 2 . 3]"
1 7 CYS 0.681 0.078 21 0 "[ . 1 . 2 . 3]"
1 12 SER 0.904 0.045 28 0 "[ . 1 . 2 . 3]"
1 13 LEU 1.529 0.095 14 0 "[ . 1 . 2 . 3]"
1 15 GLN 1.257 0.112 30 0 "[ . 1 . 2 . 3]"
1 16 LEU 2.040 0.095 30 0 "[ . 1 . 2 . 3]"
1 17 GLU 3.148 0.116 30 0 "[ . 1 . 2 . 3]"
1 18 ASN 1.257 0.112 30 0 "[ . 1 . 2 . 3]"
1 19 TYR 1.135 0.095 30 0 "[ . 1 . 2 . 3]"
1 20 CYS 1.619 0.116 30 0 "[ . 1 . 2 . 3]"
2 7 CYS 1.704 0.122 22 0 "[ . 1 . 2 . 3]"
2 8 GLY 2.427 0.093 27 0 "[ . 1 . 2 . 3]"
2 9 SER 0.019 0.015 24 0 "[ . 1 . 2 . 3]"
2 10 HIS 0.757 0.058 30 0 "[ . 1 . 2 . 3]"
2 11 LEU 1.893 0.122 22 0 "[ . 1 . 2 . 3]"
2 12 VAL 2.431 0.093 27 0 "[ . 1 . 2 . 3]"
2 13 GLU 0.026 0.015 24 0 "[ . 1 . 2 . 3]"
2 14 ALA 1.423 0.058 30 0 "[ . 1 . 2 . 3]"
2 15 LEU 0.206 0.045 28 0 "[ . 1 . 2 . 3]"
2 16 TYR 0.004 0.004 28 0 "[ . 1 . 2 . 3]"
2 17 LEU 0.006 0.006 9 0 "[ . 1 . 2 . 3]"
2 18 VAL 0.665 0.033 30 0 "[ . 1 . 2 . 3]"
2 19 CYS 0.017 0.017 26 0 "[ . 1 . 2 . 3]"
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 2 15 LEU O 2 19 CYS H 2.000 . 2.000 1.927 1.855 2.017 0.017 26 0 "[ . 1 . 2 . 3]" 2
2 2 15 LEU O 2 19 CYS N 3.000 2.700 3.000 2.865 2.792 2.940 . 0 0 "[ . 1 . 2 . 3]" 2
3 2 14 ALA O 2 18 VAL H 2.000 . 2.000 2.012 1.976 2.033 0.033 30 0 "[ . 1 . 2 . 3]" 2
4 2 14 ALA O 2 18 VAL N 3.000 2.700 3.000 3.005 2.975 3.030 0.030 21 0 "[ . 1 . 2 . 3]" 2
5 2 13 GLU O 2 17 LEU H 2.000 . 2.000 1.936 1.852 2.006 0.006 9 0 "[ . 1 . 2 . 3]" 2
6 2 13 GLU O 2 17 LEU N 3.000 2.700 3.000 2.888 2.815 2.950 . 0 0 "[ . 1 . 2 . 3]" 2
7 2 12 VAL O 2 16 TYR H 2.000 . 2.000 1.917 1.859 2.004 0.004 28 0 "[ . 1 . 2 . 3]" 2
8 2 12 VAL O 2 16 TYR N 3.000 2.700 3.000 2.854 2.798 2.948 . 0 0 "[ . 1 . 2 . 3]" 2
9 2 11 LEU O 2 15 LEU H 2.000 . 2.000 1.977 1.908 2.045 0.045 28 0 "[ . 1 . 2 . 3]" 2
10 2 11 LEU O 2 15 LEU N 3.000 2.700 3.000 2.972 2.893 3.032 0.032 30 0 "[ . 1 . 2 . 3]" 2
11 2 10 HIS O 2 14 ALA H 2.000 . 2.000 2.023 2.002 2.058 0.058 30 0 "[ . 1 . 2 . 3]" 2
12 2 10 HIS O 2 14 ALA N 3.000 2.700 3.000 2.984 2.942 3.023 0.023 21 0 "[ . 1 . 2 . 3]" 2
13 2 9 SER O 2 13 GLU H 2.000 . 2.000 1.851 1.785 1.988 0.015 24 0 "[ . 1 . 2 . 3]" 2
14 2 9 SER O 2 13 GLU N 3.000 2.700 3.000 2.824 2.772 2.915 . 0 0 "[ . 1 . 2 . 3]" 2
15 2 8 GLY O 2 12 VAL H 2.000 . 2.000 2.050 2.029 2.093 0.093 27 0 "[ . 1 . 2 . 3]" 2
16 2 8 GLY O 2 12 VAL N 3.000 2.700 3.000 3.031 3.012 3.065 0.065 29 0 "[ . 1 . 2 . 3]" 2
17 2 7 CYS O 2 11 LEU H 2.000 . 2.000 2.056 2.033 2.122 0.122 22 0 "[ . 1 . 2 . 3]" 2
18 2 7 CYS O 2 11 LEU N 3.000 2.700 3.000 2.971 2.939 3.007 0.007 29 0 "[ . 1 . 2 . 3]" 2
19 1 17 GLU O 1 20 CYS H 2.000 . 2.000 2.049 2.017 2.116 0.116 30 0 "[ . 1 . 2 . 3]" 2
20 1 17 GLU O 1 20 CYS N 3.000 2.700 3.000 2.988 2.946 3.033 0.033 23 0 "[ . 1 . 2 . 3]" 2
21 1 16 LEU O 1 19 TYR H 2.000 . 2.000 2.036 1.949 2.095 0.095 30 0 "[ . 1 . 2 . 3]" 2
22 1 16 LEU O 1 19 TYR N 3.000 2.700 3.000 2.945 2.889 2.998 . 0 0 "[ . 1 . 2 . 3]" 2
23 1 15 GLN O 1 18 ASN H 2.000 . 2.000 2.042 1.995 2.112 0.112 30 0 "[ . 1 . 2 . 3]" 2
24 1 15 GLN O 1 18 ASN N 3.000 2.700 3.000 2.900 2.840 2.968 . 0 0 "[ . 1 . 2 . 3]" 2
25 1 13 LEU O 1 17 GLU H 2.000 . 2.000 2.049 2.007 2.095 0.095 14 0 "[ . 1 . 2 . 3]" 2
26 1 13 LEU O 1 17 GLU N 3.000 2.700 3.000 2.982 2.933 3.026 0.026 14 0 "[ . 1 . 2 . 3]" 2
27 1 12 SER O 1 16 LEU H 2.000 . 2.000 2.010 1.915 2.045 0.045 28 0 "[ . 1 . 2 . 3]" 2
28 1 12 SER O 1 16 LEU N 3.000 2.700 3.000 3.006 2.908 3.035 0.035 28 0 "[ . 1 . 2 . 3]" 2
29 1 3 VAL O 1 7 CYS H 2.000 . 2.000 2.019 1.959 2.078 0.078 21 0 "[ . 1 . 2 . 3]" 2
30 1 3 VAL O 1 7 CYS N 3.000 2.700 3.000 2.854 2.784 2.916 . 0 0 "[ . 1 . 2 . 3]" 2
31 1 2 ILE O 1 6 CYS H 2.000 . 2.000 1.910 1.802 2.013 0.013 29 0 "[ . 1 . 2 . 3]" 2
32 1 2 ILE O 1 6 CYS N 3.000 2.700 3.000 2.869 2.774 2.996 . 0 0 "[ . 1 . 2 . 3]" 2
stop_
save_
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