NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
493251 |
2rn5   |
11016 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2rn5
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 723
_Distance_constraint_stats_list.Viol_count 2
_Distance_constraint_stats_list.Viol_total 6.161
_Distance_constraint_stats_list.Viol_max 0.092
_Distance_constraint_stats_list.Viol_rms 0.0005
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0000
_Distance_constraint_stats_list.Viol_average_violations_only 0.0616
_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 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 2 ILE 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 3 VAL 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 4 GLU 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 5 GLN 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 6 CYS 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 7 CYS 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 8 THR 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 9 SER 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 10 ILE 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 11 CYS 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 12 SER 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 13 LEU 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 14 TYR 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 15 GLN 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 16 LEU 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 17 GLU 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 18 ASN 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 19 TYR 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 20 CYS 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 21 ASN 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4 . 5]"
2 1 PHE 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4 . 5]"
2 2 VAL 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4 . 5]"
2 3 ASN 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4 . 5]"
2 4 GLN 0.031 0.031 46 0 "[ . 1 . 2 . 3 . 4 . 5]"
2 5 HIS 0.031 0.031 46 0 "[ . 1 . 2 . 3 . 4 . 5]"
2 6 LEU 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4 . 5]"
2 7 CYS 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4 . 5]"
2 8 GLY 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4 . 5]"
2 9 SER 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4 . 5]"
2 10 HIS 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4 . 5]"
2 11 LEU 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4 . 5]"
2 12 VAL 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4 . 5]"
2 13 GLU 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4 . 5]"
2 14 ALA 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4 . 5]"
2 15 LEU 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4 . 5]"
2 16 TYR 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4 . 5]"
2 17 LEU 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4 . 5]"
2 18 VAL 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4 . 5]"
2 19 CYS 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4 . 5]"
2 20 GLY 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4 . 5]"
2 21 GLU 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4 . 5]"
2 22 ARG 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4 . 5]"
2 23 GLY 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4 . 5]"
2 24 PHE 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4 . 5]"
2 25 PHE 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4 . 5]"
2 26 TYR 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4 . 5]"
2 27 THR 0.092 0.092 39 0 "[ . 1 . 2 . 3 . 4 . 5]"
2 28 PRO 0.092 0.092 39 0 "[ . 1 . 2 . 3 . 4 . 5]"
2 29 LYS 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4 . 5]"
2 30 THR 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4 . 5]"
2 31 LYS 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4 . 5]"
2 32 ARG 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4 . 5]"
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 1 GLY QA 1 2 ILE H 3.370 . 3.870 2.223 2.061 2.518 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
2 1 2 ILE H 1 2 ILE HB 3.940 . 4.440 2.765 2.202 3.815 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
3 1 2 ILE H 1 3 VAL H 3.230 . 3.730 2.750 2.231 3.226 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
4 1 2 ILE H 1 3 VAL HA 5.600 . 6.100 5.273 4.639 5.659 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
5 1 2 ILE H 1 3 VAL HB 5.670 . 6.170 5.033 4.104 5.663 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
6 1 2 ILE H 1 19 TYR QD 9.130 . 9.630 4.964 3.475 7.666 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
7 1 2 ILE H 1 19 TYR QE 8.520 . 9.020 3.920 2.422 6.634 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
8 1 2 ILE HA 1 3 VAL H 3.770 . 4.270 3.531 3.389 3.615 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
9 1 2 ILE HA 1 5 GLN H 4.020 . 4.520 3.467 2.676 3.986 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
10 1 2 ILE HA 1 5 GLN QB 4.160 . 4.660 2.807 2.048 3.663 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
11 1 2 ILE HA 1 6 CYS H 4.340 . 4.840 3.920 3.311 4.337 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
12 1 2 ILE HA 1 19 TYR QE 8.810 . 9.310 4.115 3.071 5.181 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
13 1 2 ILE HB 1 3 VAL H 4.920 . 5.420 4.112 3.927 4.335 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
14 1 2 ILE HB 1 19 TYR QD 9.130 . 9.630 3.592 2.537 5.661 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
15 1 2 ILE HB 1 19 TYR QE 9.130 . 9.630 3.189 2.267 5.242 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
16 1 2 ILE MD 1 3 VAL H 8.430 . 8.930 4.750 3.722 5.351 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
17 1 2 ILE MD 1 5 GLN QB 9.100 . 9.600 3.881 2.271 5.739 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
18 1 2 ILE MD 1 6 CYS H 8.430 . 8.930 4.289 3.115 6.002 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
19 1 2 ILE MD 1 11 CYS QB 9.100 . 9.600 3.835 2.483 5.794 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
20 1 2 ILE MD 1 12 SER H 8.430 . 8.930 5.354 3.454 7.039 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
21 1 2 ILE MD 1 15 GLN QB 9.100 . 9.600 2.994 2.008 4.944 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
22 1 2 ILE MD 1 16 LEU HA 8.300 . 8.800 2.958 2.152 4.495 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
23 1 2 ILE MD 1 19 TYR H 8.430 . 8.930 4.548 3.486 6.070 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
24 1 2 ILE MD 1 19 TYR QB 6.710 . 7.210 3.445 2.177 5.010 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
25 1 2 ILE MD 1 19 TYR QD 12.280 . 12.780 2.737 2.149 4.128 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
26 1 2 ILE MD 1 19 TYR QE 12.330 . 12.830 3.016 2.081 4.982 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
27 1 2 ILE MD 2 11 LEU HG 6.790 . 7.290 4.781 2.943 5.694 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
28 1 2 ILE QG 1 3 VAL H 6.030 . 6.530 3.890 2.679 4.533 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
29 1 2 ILE QG 1 6 CYS H 5.850 . 6.350 3.641 2.809 4.704 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
30 1 2 ILE QG 1 11 CYS QB 7.070 . 7.570 4.346 3.020 5.426 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
31 1 3 VAL CB 1 4 GLU H 6.140 . 6.640 3.293 2.881 3.506 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
32 1 3 VAL CB 1 4 GLU HA 5.110 . 5.610 4.765 4.561 4.971 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
33 1 3 VAL CB 1 4 GLU QG 7.430 . 7.930 5.360 3.912 6.642 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
34 1 3 VAL CB 1 5 GLN H 6.190 . 6.690 4.942 4.738 5.390 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
35 1 3 VAL CB 1 6 CYS QB 7.050 . 7.550 4.992 4.058 5.803 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
36 1 3 VAL CB 1 7 CYS H 6.900 . 7.400 5.150 4.419 6.475 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
37 1 3 VAL CB 2 11 LEU HG 6.900 . 7.400 5.784 5.313 6.398 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
38 1 3 VAL CB 2 28 PRO QB 6.620 . 7.120 4.155 2.989 5.705 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
39 1 3 VAL H 1 3 VAL HB 3.220 . 3.720 2.519 2.354 2.908 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
40 1 3 VAL H 1 5 GLN H 4.200 . 4.700 4.123 3.863 4.282 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
41 1 3 VAL HA 1 5 GLN H 4.420 . 4.920 3.932 3.414 4.512 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
42 1 3 VAL HA 1 6 CYS H 4.240 . 4.740 3.572 2.883 4.264 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
43 1 3 VAL HA 2 11 LEU CG 4.480 . 4.980 4.331 4.012 4.595 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
44 1 3 VAL HA 2 11 LEU MD1 6.400 . 6.900 4.135 3.784 4.482 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
45 1 3 VAL HA 2 11 LEU MD2 6.400 . 6.900 2.184 1.953 2.381 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
46 1 3 VAL MG1 1 5 GLN H 8.430 . 8.930 4.692 4.147 5.563 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
47 1 3 VAL MG1 2 7 CYS HA 8.430 . 8.930 4.573 2.981 6.601 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
48 1 3 VAL MG2 1 5 GLN H 8.430 . 8.930 5.088 4.661 5.515 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
49 1 3 VAL MG2 2 7 CYS HA 8.430 . 8.930 3.787 2.107 6.166 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
50 1 4 GLU H 1 6 CYS QB 6.520 . 7.020 5.455 5.023 5.839 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
51 1 4 GLU H 2 29 LYS H 5.140 . 5.640 4.785 3.831 5.253 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
52 1 4 GLU HA 1 5 GLN H 3.550 . 4.050 3.448 3.305 3.587 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
53 1 4 GLU HA 1 7 CYS H 4.380 . 4.880 4.040 3.021 4.453 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
54 1 4 GLU HA 1 7 CYS QB 5.500 . 6.000 3.498 2.104 4.374 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
55 1 4 GLU HA 1 8 THR MG 7.000 . 7.500 4.119 2.680 5.648 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
56 1 4 GLU HB2 1 8 THR MG 8.430 . 8.930 5.229 2.961 6.956 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
57 1 4 GLU HB3 1 8 THR MG 8.430 . 8.930 5.156 3.397 7.004 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
58 1 4 GLU QG 1 8 THR MG 8.340 . 8.840 4.758 2.164 6.203 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
59 1 4 GLU QG 2 29 LYS H 8.090 . 8.590 5.301 3.048 7.253 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
60 1 4 GLU HG2 1 8 THR MG 8.430 . 8.930 5.340 2.607 7.037 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
61 1 4 GLU HG3 1 8 THR MG 8.430 . 8.930 5.515 2.312 7.052 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
62 1 5 GLN H 1 5 GLN HB2 3.340 . 3.840 2.765 2.319 3.178 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
63 1 5 GLN H 1 5 GLN HB3 3.840 . 4.340 2.611 2.352 3.709 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
64 1 5 GLN H 1 5 GLN HG2 5.060 . 5.560 4.454 2.725 4.886 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
65 1 5 GLN H 1 5 GLN HG3 5.060 . 5.560 4.423 2.515 4.747 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
66 1 5 GLN HA 1 7 CYS H 4.720 . 5.220 4.498 3.832 4.782 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
67 1 5 GLN QB 1 6 CYS H 3.740 . 4.240 2.434 2.195 2.759 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
68 1 5 GLN QB 1 11 CYS QB 8.500 . 9.000 3.897 2.423 5.507 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
69 1 5 GLN QE 1 11 CYS QB 9.590 . 10.090 4.105 2.409 6.570 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
70 1 5 GLN QG 1 6 CYS H 5.400 . 5.900 3.522 3.089 4.383 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
71 1 5 GLN QG 1 11 CYS QB 5.540 . 6.040 3.049 2.100 4.451 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
72 1 6 CYS CB 1 11 CYS SG 3.100 . 3.600 3.034 3.006 3.072 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
73 1 6 CYS H 1 6 CYS HB2 3.260 . 3.760 2.338 2.142 2.605 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
74 1 6 CYS H 1 6 CYS HB3 3.760 . 4.260 3.543 3.465 3.588 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
75 1 6 CYS H 1 7 CYS H 3.080 . 3.580 2.790 2.421 3.000 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
76 1 6 CYS H 1 7 CYS QB 6.030 . 6.530 4.604 4.006 5.042 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
77 1 6 CYS H 2 11 LEU CG 6.970 . 7.470 6.130 5.795 6.681 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
78 1 6 CYS HA 1 7 CYS H 3.710 . 4.210 3.544 3.407 3.596 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
79 1 6 CYS HA 1 11 CYS H 5.570 . 6.070 3.626 2.586 4.208 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
80 1 6 CYS HA 1 11 CYS QB 4.850 . 5.350 2.391 2.170 3.102 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
81 1 6 CYS HA 1 12 SER H 6.000 . 6.500 5.973 5.392 6.127 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
82 1 6 CYS QB 1 7 CYS H 4.470 . 4.970 2.919 2.584 3.189 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
83 1 6 CYS QB 2 6 LEU CG 5.390 . 5.890 4.205 3.950 4.448 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
84 1 6 CYS QB 2 6 LEU QB 4.760 . 5.260 2.197 2.060 2.408 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
85 1 6 CYS QB 2 11 LEU CG 4.650 . 5.150 3.775 3.467 4.169 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
86 1 6 CYS HB2 1 7 CYS H 3.930 . 4.430 3.040 2.649 3.421 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
87 1 6 CYS HB3 1 7 CYS H 4.230 . 4.730 3.781 3.591 4.045 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
88 1 6 CYS SG 1 11 CYS CB 3.100 . 3.600 3.018 2.975 3.073 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
89 1 6 CYS SG 1 11 CYS SG 2.100 . 2.600 2.035 2.025 2.045 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
90 1 7 CYS CB 2 7 CYS SG 3.100 . 3.600 3.044 3.013 3.081 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
91 1 7 CYS H 1 7 CYS QB 3.280 . 3.780 2.324 2.208 2.508 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
92 1 7 CYS H 1 8 THR H 2.940 . 3.440 2.504 2.217 2.925 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
93 1 7 CYS H 1 8 THR MG 7.650 . 8.150 4.915 3.780 5.873 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
94 1 7 CYS H 1 9 SER H 4.420 . 4.920 3.920 3.394 4.310 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
95 1 7 CYS HA 1 8 THR MG 8.430 . 8.930 5.479 4.402 6.241 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
96 1 7 CYS HA 2 5 HIS QB 4.790 . 5.290 3.596 2.841 4.279 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
97 1 7 CYS HA 2 6 LEU H 3.590 . 4.090 3.272 2.637 3.703 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
98 1 7 CYS HA 2 7 CYS H 5.510 . 6.010 4.819 4.423 5.242 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
99 1 7 CYS HA 2 7 CYS QB 5.540 . 6.040 2.862 2.203 4.342 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
100 1 7 CYS QB 1 8 THR H 3.430 . 3.930 2.611 2.246 3.067 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
101 1 7 CYS QB 1 8 THR MG 7.540 . 8.040 3.956 2.562 5.246 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
102 1 7 CYS QB 2 7 CYS H 6.610 . 7.110 5.223 4.290 5.950 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
103 1 7 CYS QB 2 7 CYS HA 5.160 . 5.660 3.159 2.195 4.314 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
104 1 7 CYS QB 2 7 CYS QB 7.070 . 7.570 3.126 2.820 3.580 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
105 1 7 CYS HB2 2 8 GLY H 6.000 . 6.500 4.644 3.661 6.020 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
106 1 7 CYS HB3 2 8 GLY H 6.000 . 6.500 5.566 4.963 6.040 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
107 1 7 CYS SG 2 7 CYS CB 3.100 . 3.600 3.028 2.999 3.092 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
108 1 7 CYS SG 2 7 CYS SG 2.100 . 2.600 2.040 2.034 2.046 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
109 1 8 THR H 1 8 THR HB 3.920 . 4.420 3.065 2.329 3.754 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
110 1 8 THR H 1 9 SER H 3.910 . 4.410 2.483 2.003 2.803 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
111 1 8 THR H 1 9 SER HA 5.440 . 5.940 5.186 4.746 5.422 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
112 1 8 THR H 1 9 SER QB 6.130 . 6.630 4.622 4.138 5.146 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
113 1 8 THR HA 2 5 HIS HE1 6.000 . 6.500 4.697 3.624 6.043 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
114 1 8 THR HB 1 9 SER H 4.550 . 5.050 3.289 2.277 4.120 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
115 1 8 THR MG 1 9 SER H 7.300 . 7.800 3.813 2.454 4.238 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
116 1 8 THR MG 1 9 SER HA 8.430 . 8.930 4.927 3.911 5.776 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
117 1 8 THR MG 1 9 SER QB 9.100 . 9.600 4.350 2.477 5.685 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
118 1 8 THR MG 2 5 HIS HE1 8.430 . 8.930 5.717 4.788 7.050 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
119 1 9 SER H 1 10 ILE HA 5.600 . 6.100 5.081 4.843 5.389 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
120 1 9 SER HA 1 10 ILE H 3.080 . 3.580 2.644 2.420 2.923 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
121 1 9 SER HA 1 10 ILE HB 5.030 . 5.530 4.773 4.266 5.045 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
122 1 9 SER HA 1 10 ILE MD 8.430 . 8.930 5.223 4.310 6.223 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
123 1 9 SER HA 1 10 ILE QG 6.520 . 7.020 4.050 3.290 5.794 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
124 1 9 SER HA 1 10 ILE MG 7.910 . 8.410 5.472 4.165 5.800 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
125 1 9 SER HA 2 5 HIS HD2 6.800 . 7.300 5.980 4.564 6.874 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
126 1 9 SER HA 2 5 HIS HE1 3.550 . 4.050 2.660 2.317 3.219 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
127 1 9 SER QB 1 10 ILE H 4.800 . 5.300 2.519 2.022 2.829 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
128 1 9 SER QB 1 10 ILE QG 7.070 . 7.570 4.721 3.962 5.669 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
129 1 9 SER QB 1 10 ILE MG 9.100 . 9.600 4.991 3.445 5.529 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
130 1 9 SER HB2 1 10 ILE H 3.550 . 4.050 3.470 2.394 3.607 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
131 1 9 SER HB2 2 5 HIS HE1 6.000 . 6.500 5.155 4.567 5.675 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
132 1 9 SER HB3 1 10 ILE H 4.250 . 4.750 2.672 2.045 3.816 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
133 1 9 SER HB3 2 5 HIS HE1 6.000 . 6.500 5.242 4.508 5.993 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
134 1 10 ILE H 1 10 ILE HB 2.720 . 3.220 2.422 2.213 2.691 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
135 1 10 ILE H 2 5 HIS HE1 5.640 . 6.140 4.231 3.162 4.991 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
136 1 10 ILE HA 1 11 CYS H 2.980 . 3.480 2.202 2.027 2.325 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
137 1 10 ILE HA 2 4 GLN H 5.860 . 6.360 4.366 3.964 5.343 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
138 1 10 ILE HA 2 5 HIS H 5.600 . 6.100 4.243 3.506 4.916 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
139 1 10 ILE HB 1 11 CYS H 6.000 . 6.500 4.247 3.908 4.423 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
140 1 10 ILE HB 2 5 HIS HA 5.860 . 6.360 5.750 4.925 6.001 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
141 1 10 ILE HB 2 5 HIS HE1 7.000 . 7.500 5.478 2.942 6.870 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
142 1 10 ILE MD 1 11 CYS H 8.430 . 8.930 4.673 3.391 5.380 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
143 1 10 ILE MD 2 3 ASN H 8.430 . 8.930 6.003 4.092 7.029 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
144 1 10 ILE MD 2 3 ASN HA 8.430 . 8.930 5.288 4.078 6.209 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
145 1 10 ILE MD 2 3 ASN QB 9.100 . 9.600 4.215 2.192 5.459 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
146 1 10 ILE MD 2 4 GLN H 8.430 . 8.930 4.575 3.301 5.469 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
147 1 10 ILE MD 2 5 HIS H 8.170 . 8.670 4.224 2.539 5.923 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
148 1 10 ILE MD 2 5 HIS HA 6.620 . 7.120 5.048 3.229 5.550 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
149 1 10 ILE MD 2 5 HIS HD2 7.220 . 7.720 3.479 2.198 4.725 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
150 1 10 ILE MD 2 5 HIS HE1 8.430 . 8.930 4.773 3.327 6.024 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
151 1 10 ILE HG12 2 5 HIS HE1 6.000 . 6.500 4.823 3.007 6.031 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
152 1 10 ILE HG13 2 5 HIS HE1 6.000 . 6.500 4.283 2.680 6.033 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
153 1 10 ILE MG 1 11 CYS H 6.920 . 7.420 2.789 2.308 3.963 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
154 1 10 ILE MG 1 12 SER H 8.430 . 8.930 4.852 4.345 5.888 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
155 1 10 ILE MG 1 12 SER HA 8.430 . 8.930 4.780 3.837 6.152 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
156 1 10 ILE MG 2 3 ASN H 8.430 . 8.930 4.972 2.614 6.880 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
157 1 10 ILE MG 2 3 ASN HA 7.430 . 7.930 3.663 2.271 5.669 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
158 1 10 ILE MG 2 3 ASN HB2 7.350 . 7.850 3.526 2.071 4.738 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
159 1 10 ILE MG 2 3 ASN QB 7.130 . 7.630 2.928 2.054 4.029 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
160 1 10 ILE MG 2 3 ASN HB3 7.350 . 7.850 3.546 2.071 5.272 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
161 1 10 ILE MG 2 4 GLN H 7.730 . 8.230 3.051 2.376 4.915 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
162 1 10 ILE MG 2 4 GLN HA 8.430 . 8.930 3.286 2.321 5.572 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
163 1 10 ILE MG 2 5 HIS HA 7.650 . 8.150 4.643 3.613 5.808 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
164 1 10 ILE MG 2 5 HIS HD2 8.430 . 8.930 4.996 4.007 6.418 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
165 1 10 ILE MG 2 5 HIS HE1 8.430 . 8.930 5.862 4.248 7.026 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
166 1 11 CYS H 1 12 SER H 4.670 . 5.170 4.460 4.287 4.645 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
167 1 11 CYS H 2 5 HIS HA 4.160 . 4.660 3.501 2.829 4.199 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
168 1 11 CYS HA 1 12 SER H 3.220 . 3.720 2.410 2.172 2.936 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
169 1 11 CYS HA 1 15 GLN QB 5.660 . 6.160 4.143 2.954 4.677 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
170 1 11 CYS HA 1 15 GLN QG 6.520 . 7.020 4.579 3.189 5.045 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
171 1 11 CYS QB 1 15 GLN QB 5.330 . 5.830 2.833 2.257 3.515 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
172 1 11 CYS QB 1 15 GLN QG 7.070 . 7.570 4.104 2.518 5.063 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
173 1 11 CYS QB 1 16 LEU CG 7.430 . 7.930 5.286 3.886 5.875 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
174 1 11 CYS QB 1 16 LEU HG 6.520 . 7.020 4.584 3.098 5.861 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
175 1 11 CYS HB2 1 12 SER H 3.810 . 4.310 2.611 2.024 3.920 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
176 1 11 CYS HB3 1 12 SER H 3.990 . 4.490 3.713 2.249 3.988 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
177 1 12 SER H 1 12 SER HB2 3.920 . 4.420 3.209 2.468 3.959 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
178 1 12 SER H 1 12 SER HB3 3.620 . 4.120 2.841 2.350 3.678 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
179 1 12 SER H 1 14 TYR H 6.000 . 6.500 4.968 4.730 5.239 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
180 1 12 SER H 1 15 GLN H 3.950 . 4.450 3.631 3.251 3.898 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
181 1 12 SER H 1 15 GLN HB2 3.730 . 4.230 2.646 2.029 2.941 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
182 1 12 SER H 1 15 GLN QB 3.490 . 3.990 2.614 2.018 2.893 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
183 1 12 SER H 1 15 GLN HB3 4.230 . 4.730 4.098 3.531 4.292 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
184 1 12 SER H 1 15 GLN HE21 6.000 . 6.500 4.470 2.372 5.382 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
185 1 12 SER H 1 15 GLN HE22 6.000 . 6.500 4.173 3.008 6.024 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
186 1 12 SER H 1 15 GLN QG 4.650 . 5.150 3.270 2.313 3.809 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
187 1 12 SER H 1 16 LEU H 4.730 . 5.230 4.575 3.459 4.787 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
188 1 12 SER HA 1 13 LEU H 2.720 . 3.220 2.353 2.251 2.481 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
189 1 12 SER HA 1 13 LEU QB 5.200 . 5.700 4.610 4.298 4.720 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
190 1 12 SER HA 1 14 TYR H 4.570 . 5.070 4.194 3.905 4.585 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
191 1 12 SER HA 1 15 GLN H 4.990 . 5.490 4.587 4.297 4.939 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
192 1 12 SER QB 1 13 LEU H 4.100 . 4.600 3.006 2.373 3.556 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
193 1 12 SER QB 1 14 TYR H 3.660 . 4.160 2.976 2.401 3.302 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
194 1 12 SER QB 1 14 TYR QD 9.790 . 10.290 4.474 3.637 5.424 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
195 1 12 SER QB 1 14 TYR QE 9.800 . 10.300 6.467 5.658 7.341 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
196 1 12 SER QB 1 15 GLN H 4.780 . 5.280 3.191 2.443 4.089 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
197 1 13 LEU CG 1 13 LEU H 4.560 . 5.060 2.851 2.573 3.290 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
198 1 13 LEU CG 1 16 LEU HG 5.540 . 6.040 5.264 4.686 5.604 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
199 1 13 LEU CG 2 3 ASN H 7.400 . 7.900 6.216 3.574 7.444 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
200 1 13 LEU CG 2 4 GLN QB 8.800 . 9.300 6.981 5.111 7.925 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
201 1 13 LEU H 1 13 LEU QB 3.130 . 3.630 2.451 2.192 2.595 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
202 1 13 LEU H 1 14 TYR H 2.980 . 3.480 2.722 2.562 2.908 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
203 1 13 LEU H 1 14 TYR HA 6.000 . 6.500 5.382 5.261 5.537 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
204 1 13 LEU H 1 14 TYR QB 5.500 . 6.000 4.403 4.274 4.584 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
205 1 13 LEU H 1 15 GLN H 4.530 . 5.030 4.222 4.022 4.423 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
206 1 13 LEU H 1 16 LEU H 5.170 . 5.670 4.821 4.687 4.989 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
207 1 13 LEU HA 1 14 TYR HA 6.000 . 6.500 4.856 4.792 4.916 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
208 1 13 LEU HA 1 16 LEU HB2 3.260 . 3.760 2.480 2.183 2.847 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
209 1 13 LEU HA 1 16 LEU QB 4.740 . 5.240 2.458 2.170 2.806 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
210 1 13 LEU HA 1 16 LEU HB3 4.260 . 4.760 4.050 3.793 4.251 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
211 1 13 LEU HA 1 16 LEU HG 4.810 . 5.310 2.784 2.149 3.256 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
212 1 13 LEU QB 1 14 TYR H 3.280 . 3.780 2.842 2.644 2.953 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
213 1 13 LEU QB 1 14 TYR HA 5.530 . 6.030 4.125 4.014 4.233 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
214 1 13 LEU QB 1 14 TYR QD 9.790 . 10.290 5.572 5.387 5.730 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
215 1 13 LEU QB 1 15 GLN H 6.290 . 6.790 4.738 4.619 4.898 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
216 1 13 LEU QB 1 16 LEU H 6.520 . 7.020 4.672 4.542 4.812 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
217 1 13 LEU QB 1 16 LEU QB 4.840 . 5.340 3.771 3.542 3.896 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
218 1 13 LEU QB 2 18 VAL CB 5.460 . 5.960 4.512 3.831 4.901 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
219 1 13 LEU HB2 1 14 TYR H 3.440 . 3.940 2.929 2.694 3.125 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
220 1 13 LEU HB2 1 14 TYR HA 4.900 . 5.400 4.580 4.339 4.925 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
221 1 13 LEU HB3 1 14 TYR H 3.990 . 4.490 3.870 3.625 4.028 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
222 1 13 LEU HB3 1 14 TYR HA 4.990 . 5.490 4.718 4.380 4.933 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
223 1 14 TYR H 1 14 TYR HB2 2.900 . 3.400 2.511 2.412 2.591 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
224 1 14 TYR H 1 14 TYR HB3 2.900 . 3.400 2.426 2.357 2.493 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
225 1 14 TYR H 1 15 GLN H 2.720 . 3.220 2.711 2.619 2.762 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
226 1 14 TYR HA 1 15 GLN H 3.520 . 4.020 3.540 3.513 3.569 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
227 1 14 TYR QB 1 15 GLN H 4.740 . 5.240 2.844 2.700 2.997 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
228 1 14 TYR QB 1 15 GLN QG 5.870 . 6.370 3.371 3.089 3.748 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
229 1 14 TYR HB2 1 15 GLN H 4.270 . 4.770 4.089 4.007 4.163 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
230 1 14 TYR HB3 1 15 GLN H 3.370 . 3.870 2.902 2.744 3.073 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
231 1 14 TYR QD 1 15 GLN H 9.130 . 9.630 3.860 3.602 4.158 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
232 1 14 TYR QD 1 15 GLN HA 9.130 . 9.630 3.968 3.710 4.319 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
233 1 14 TYR QD 1 15 GLN QG 9.790 . 10.290 3.011 2.597 3.717 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
234 1 14 TYR QE 1 18 ASN QD 9.790 . 10.290 5.822 2.839 7.774 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
235 1 15 GLN H 1 15 GLN HB2 3.190 . 3.690 2.443 2.345 2.659 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
236 1 15 GLN H 1 15 GLN QB 2.970 . 3.470 2.407 2.317 2.601 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
237 1 15 GLN H 1 15 GLN HB3 3.690 . 4.190 3.635 3.598 3.678 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
238 1 15 GLN H 1 15 GLN HG2 4.280 . 4.780 3.705 2.292 4.038 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
239 1 15 GLN H 1 15 GLN QG 3.570 . 4.070 2.531 2.273 2.694 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
240 1 15 GLN H 1 15 GLN HG3 3.880 . 4.380 2.681 2.360 3.847 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
241 1 15 GLN H 1 16 LEU H 3.050 . 3.550 2.445 2.295 2.675 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
242 1 15 GLN H 1 16 LEU HG 6.000 . 6.500 4.282 3.943 5.924 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
243 1 15 GLN H 1 17 GLU H 4.230 . 4.730 4.075 3.868 4.264 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
244 1 15 GLN HA 1 18 ASN H 5.460 . 5.960 3.294 2.954 3.609 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
245 1 15 GLN HA 1 18 ASN HB2 3.700 . 4.200 3.098 2.192 3.652 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
246 1 15 GLN HA 1 18 ASN HB3 3.700 . 4.200 3.003 2.311 3.729 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
247 1 15 GLN HA 1 18 ASN QD 6.530 . 7.030 4.827 3.360 5.749 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
248 1 15 GLN HA 1 19 TYR QD 9.130 . 9.630 4.557 3.236 5.584 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
249 1 15 GLN HA 1 19 TYR QE 8.210 . 8.710 5.000 4.261 7.155 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
250 1 15 GLN QB 1 16 LEU CG 7.430 . 7.930 4.513 4.318 4.906 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
251 1 15 GLN QB 1 16 LEU QB 6.920 . 7.420 4.659 4.496 4.845 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
252 1 15 GLN QB 1 16 LEU HG 6.520 . 7.020 3.805 3.501 5.549 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
253 1 15 GLN QG 1 16 LEU H 5.800 . 6.300 4.257 4.104 4.448 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
254 1 16 LEU CG 1 16 LEU H 4.090 . 4.590 2.878 2.731 3.248 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
255 1 16 LEU CG 1 17 GLU H 4.590 . 5.090 4.364 4.197 4.530 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
256 1 16 LEU CG 1 19 TYR QD 8.710 . 9.210 6.193 4.229 7.034 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
257 1 16 LEU CG 2 11 LEU HA 6.720 . 7.220 6.140 5.795 6.463 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
258 1 16 LEU H 1 16 LEU HB2 3.190 . 3.690 2.505 2.322 2.653 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
259 1 16 LEU H 1 16 LEU QB 3.080 . 3.580 2.460 2.294 2.591 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
260 1 16 LEU H 1 16 LEU HB3 3.690 . 4.190 3.608 3.566 3.637 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
261 1 16 LEU H 1 16 LEU HG 4.490 . 4.990 2.364 2.115 3.855 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
262 1 16 LEU H 1 18 ASN H 4.270 . 4.770 4.122 3.863 4.291 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
263 1 16 LEU H 1 19 TYR QE 9.130 . 9.630 6.612 4.428 8.176 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
264 1 16 LEU H 2 18 VAL CB 7.000 . 7.500 6.385 6.012 6.871 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
265 1 16 LEU HA 1 19 TYR QB 4.320 . 4.820 3.446 2.624 3.881 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
266 1 16 LEU HA 1 19 TYR QD 6.380 . 6.880 3.648 2.222 4.771 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
267 1 16 LEU HA 1 19 TYR QE 9.050 . 9.550 5.493 3.717 6.847 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
268 1 16 LEU HA 2 15 LEU CG 5.840 . 6.340 4.604 4.205 5.335 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
269 1 16 LEU HA 2 15 LEU MD1 8.380 . 8.880 4.132 2.245 4.953 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
270 1 16 LEU HA 2 15 LEU MD2 8.380 . 8.880 2.858 2.171 4.763 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
271 1 16 LEU QB 1 17 GLU H 3.390 . 3.890 2.497 2.353 2.695 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
272 1 16 LEU QB 2 18 VAL CB 4.460 . 4.960 3.462 3.104 3.917 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
273 1 16 LEU HB2 1 17 GLU H 3.550 . 4.050 2.552 2.393 2.775 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
274 1 16 LEU HB3 1 17 GLU H 3.550 . 4.050 3.554 3.266 3.649 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
275 1 16 LEU MD1 1 19 TYR QD 12.330 . 12.830 6.507 4.519 7.278 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
276 1 16 LEU MD2 1 19 TYR QD 12.330 . 12.830 4.511 2.334 5.535 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
277 1 16 LEU HG 1 17 GLU H 5.500 . 6.000 4.390 4.117 4.984 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
278 1 16 LEU HG 1 19 TYR QD 9.130 . 9.630 6.370 4.555 7.962 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
279 1 16 LEU HG 2 14 ALA MB 6.220 . 6.720 4.620 2.901 5.196 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
280 1 17 GLU H 1 17 GLU QB 3.170 . 3.670 2.341 2.013 2.477 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
281 1 17 GLU H 1 17 GLU HG2 4.310 . 4.810 3.432 2.517 4.420 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
282 1 17 GLU H 1 17 GLU QG 4.010 . 4.510 2.598 2.260 3.695 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
283 1 17 GLU H 1 17 GLU HG3 4.310 . 4.810 2.865 2.295 3.963 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
284 1 17 GLU H 1 18 ASN H 3.620 . 4.120 2.892 2.746 3.018 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
285 1 17 GLU H 1 18 ASN HA 5.880 . 6.380 5.472 5.357 5.594 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
286 1 17 GLU H 1 18 ASN QB 5.720 . 6.220 4.590 4.460 4.743 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
287 1 17 GLU HA 1 20 CYS HB2 4.450 . 4.950 2.933 2.216 3.646 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
288 1 17 GLU HA 1 20 CYS QB 4.200 . 4.700 2.820 2.173 3.510 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
289 1 17 GLU HA 1 20 CYS HB3 4.450 . 4.950 3.912 2.478 4.572 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
290 1 17 GLU HA 2 18 VAL CB 5.740 . 6.240 5.268 4.389 5.823 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
291 1 17 GLU QB 1 18 ASN H 4.280 . 4.780 2.914 2.674 3.236 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
292 1 17 GLU QG 2 18 VAL CB 5.740 . 6.240 4.109 3.895 4.540 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
293 1 17 GLU HG2 2 18 VAL MG1 7.650 . 8.150 2.487 2.188 3.702 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
294 1 17 GLU HG2 2 18 VAL MG2 7.650 . 8.150 4.900 4.042 6.190 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
295 1 17 GLU HG3 2 18 VAL MG1 7.650 . 8.150 2.502 2.148 3.753 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
296 1 17 GLU HG3 2 18 VAL MG2 7.650 . 8.150 4.575 3.780 5.782 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
297 1 18 ASN H 1 18 ASN HB2 3.050 . 3.550 2.465 2.203 2.608 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
298 1 18 ASN H 1 18 ASN QB 2.810 . 3.310 2.208 2.172 2.261 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
299 1 18 ASN H 1 18 ASN HB3 3.550 . 4.050 2.516 2.398 3.498 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
300 1 18 ASN H 1 18 ASN HD21 5.860 . 6.360 4.523 2.655 4.705 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
301 1 18 ASN H 1 18 ASN HD22 5.860 . 6.360 5.722 4.268 5.815 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
302 1 18 ASN HA 1 18 ASN HB2 2.980 . 3.480 2.482 2.425 2.994 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
303 1 18 ASN HA 1 18 ASN HB3 2.980 . 3.480 3.023 2.700 3.035 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
304 1 18 ASN QB 1 19 TYR H 3.690 . 4.190 2.940 2.659 3.117 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
305 1 18 ASN QB 1 19 TYR QD 8.930 . 9.430 3.051 2.477 4.498 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
306 1 18 ASN HB2 1 19 TYR H 4.370 . 4.870 4.110 3.247 4.210 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
307 1 18 ASN HB2 1 19 TYR QE 9.130 . 9.630 5.440 4.508 8.137 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
308 1 18 ASN HB3 1 19 TYR H 3.770 . 4.270 3.020 2.701 3.588 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
309 1 18 ASN HB3 1 19 TYR QE 9.130 . 9.630 3.966 2.976 6.617 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
310 1 19 TYR H 1 19 TYR QB 3.460 . 3.960 2.320 2.091 2.522 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
311 1 19 TYR H 1 20 CYS H 2.620 . 3.120 2.489 2.361 2.662 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
312 1 19 TYR H 1 20 CYS HA 6.000 . 6.500 5.029 4.797 5.321 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
313 1 19 TYR H 1 20 CYS QB 5.290 . 5.790 4.382 3.888 4.740 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
314 1 19 TYR H 2 15 LEU CG 7.570 . 8.070 6.556 5.854 7.288 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
315 1 19 TYR H 2 15 LEU MD1 9.030 . 9.530 5.506 3.460 6.447 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
316 1 19 TYR H 2 15 LEU MD2 8.430 . 8.930 4.350 3.671 6.018 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
317 1 19 TYR QB 1 20 CYS H 4.930 . 5.430 3.454 2.629 3.827 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
318 1 19 TYR QB 2 15 LEU CG 5.750 . 6.250 4.565 3.797 5.163 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
319 1 19 TYR QB 2 18 VAL CB 9.680 . 10.180 7.848 6.838 8.672 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
320 1 19 TYR QB 2 25 PHE H 6.520 . 7.020 3.730 2.682 5.812 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
321 1 19 TYR HB2 1 20 CYS H 4.350 . 4.850 3.705 2.914 4.169 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
322 1 19 TYR HB3 1 20 CYS H 4.650 . 5.150 4.169 2.747 4.454 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
323 1 19 TYR QD 2 15 LEU CG 9.070 . 9.570 6.065 4.159 7.115 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
324 1 19 TYR QD 2 15 LEU MD1 12.330 . 12.830 4.597 2.360 5.633 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
325 1 19 TYR QD 2 15 LEU MD2 12.330 . 12.830 4.074 2.298 5.561 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
326 1 19 TYR QD 2 26 TYR HA 9.130 . 9.630 4.057 2.202 5.992 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
327 1 20 CYS CB 2 19 CYS SG 3.100 . 3.600 3.030 2.949 3.096 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
328 1 20 CYS H 1 20 CYS HB2 3.010 . 3.510 2.482 2.306 2.695 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
329 1 20 CYS H 1 20 CYS HB3 3.910 . 4.410 3.319 2.423 3.744 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
330 1 20 CYS H 1 21 ASN H 4.600 . 5.100 4.587 4.182 4.652 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
331 1 20 CYS HA 1 21 ASN H 3.470 . 3.970 2.345 2.082 2.988 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
332 1 20 CYS HA 2 24 PHE QB 5.080 . 5.580 3.061 2.101 4.573 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
333 1 20 CYS QB 1 21 ASN H 3.470 . 3.970 2.769 2.056 3.171 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
334 1 20 CYS QB 2 19 CYS QB 7.520 . 8.020 2.593 2.226 2.883 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
335 1 20 CYS QB 2 22 ARG HE 6.520 . 7.020 4.389 2.543 5.823 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
336 1 20 CYS QB 2 22 ARG QG 8.350 . 8.850 5.191 3.331 6.650 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
337 1 20 CYS SG 2 19 CYS CB 3.100 . 3.600 3.032 2.951 3.080 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
338 1 20 CYS SG 2 19 CYS SG 2.100 . 2.600 2.027 2.006 2.037 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
339 1 21 ASN H 1 21 ASN HB2 4.200 . 4.700 2.986 2.286 4.142 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
340 1 21 ASN H 1 21 ASN HB3 4.200 . 4.700 3.209 2.294 3.855 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
341 1 21 ASN H 2 19 CYS QB 6.110 . 6.610 4.169 3.186 5.158 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
342 1 21 ASN H 2 22 ARG QB 4.620 . 5.120 3.571 2.855 4.147 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
343 1 21 ASN H 2 24 PHE HA 5.540 . 6.040 3.137 2.311 4.821 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
344 1 21 ASN QD 2 24 PHE HA 6.360 . 6.860 4.391 2.709 5.717 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
345 1 21 ASN QD 2 25 PHE HA 6.520 . 7.020 5.266 3.670 5.877 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
346 2 1 PHE HA 2 2 VAL CB 8.100 . 8.600 5.081 4.647 5.845 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
347 2 1 PHE HA 2 2 VAL H 3.710 . 4.210 2.748 2.173 3.664 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
348 2 1 PHE QB 2 2 VAL H 4.070 . 4.570 2.721 1.934 3.531 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
349 2 1 PHE HB2 2 2 VAL H 4.380 . 4.880 3.309 2.195 4.412 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
350 2 1 PHE HB3 2 2 VAL H 4.380 . 4.880 3.172 2.015 4.105 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
351 2 2 VAL CB 2 3 ASN H 7.060 . 7.560 3.360 2.619 4.022 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
352 2 2 VAL CB 2 3 ASN QB 8.050 . 8.550 4.859 3.866 5.773 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
353 2 2 VAL CB 2 4 GLN HA 9.100 . 9.600 7.876 6.227 9.013 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
354 2 2 VAL CB 2 4 GLN QG 10.080 . 10.580 6.712 3.919 8.292 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
355 2 2 VAL H 2 2 VAL HB 3.960 . 4.460 3.171 2.305 4.003 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
356 2 2 VAL HA 2 3 ASN H 3.820 . 4.320 2.769 2.069 3.628 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
357 2 2 VAL HA 2 3 ASN QB 6.520 . 7.020 4.700 3.803 5.510 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
358 2 2 VAL HB 2 3 ASN H 4.460 . 4.960 3.666 1.955 4.481 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
359 2 3 ASN H 2 3 ASN HB3 3.820 . 4.320 3.193 2.366 3.823 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
360 2 3 ASN H 2 4 GLN HA 5.990 . 6.490 5.371 4.647 5.888 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
361 2 3 ASN HA 2 4 GLN H 2.920 . 3.420 2.307 2.163 2.915 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
362 2 3 ASN HA 2 4 GLN QG 7.720 . 8.220 5.038 3.460 6.264 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
363 2 3 ASN QB 2 4 GLN H 5.370 . 5.870 3.417 2.568 4.115 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
364 2 3 ASN QB 2 5 HIS H 8.320 . 8.820 6.589 5.741 7.300 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
365 2 3 ASN HB2 2 4 GLN H 4.780 . 5.280 3.942 2.603 4.683 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
366 2 3 ASN HB3 2 4 GLN H 4.880 . 5.380 4.000 2.847 4.621 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
367 2 3 ASN QD 2 5 HIS H 8.770 . 9.270 6.858 5.867 7.874 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
368 2 4 GLN H 2 4 GLN HB2 3.440 . 3.940 2.982 2.335 3.412 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
369 2 4 GLN H 2 4 GLN HB3 3.940 . 4.440 3.465 2.643 3.937 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
370 2 4 GLN H 2 5 HIS H 5.350 . 5.850 4.429 4.347 4.557 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
371 2 4 GLN H 2 5 HIS HD2 7.000 . 7.500 6.527 5.385 7.045 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
372 2 4 GLN HA 2 5 HIS H 2.720 . 3.220 2.499 2.327 2.743 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
373 2 4 GLN HA 2 5 HIS HD2 5.350 . 5.850 4.235 3.571 4.928 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
374 2 4 GLN HA 2 6 LEU CG 6.900 . 7.400 6.484 5.837 6.911 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
375 2 4 GLN QB 2 5 HIS H 4.480 . 4.980 2.728 1.939 3.413 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
376 2 4 GLN QB 2 5 HIS HD2 6.520 . 7.020 5.254 3.979 5.848 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
377 2 4 GLN QB 2 6 LEU CG 5.960 . 6.460 4.006 3.214 4.735 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
378 2 4 GLN HB2 2 5 HIS H 4.360 . 4.860 3.848 3.158 4.135 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
379 2 4 GLN HB3 2 5 HIS H 3.660 . 4.160 2.822 1.957 3.687 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
380 2 4 GLN QG 2 5 HIS H 7.520 . 8.020 3.029 1.769 4.223 0.031 46 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
381 2 4 GLN QG 2 6 LEU CG 8.680 . 9.180 5.548 3.777 6.639 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
382 2 5 HIS H 2 5 HIS QB 3.490 . 3.990 2.365 2.286 2.443 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
383 2 5 HIS H 2 5 HIS HD2 3.800 . 4.300 2.922 2.377 3.669 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
384 2 5 HIS H 2 6 LEU H 4.550 . 5.050 4.538 3.482 4.630 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
385 2 5 HIS H 2 6 LEU HG 5.860 . 6.360 4.533 3.831 4.949 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
386 2 5 HIS HA 2 5 HIS HE1 6.000 . 6.500 5.222 4.946 5.518 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
387 2 5 HIS HA 2 6 LEU CG 6.750 . 7.250 4.961 4.656 5.435 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
388 2 5 HIS HA 2 6 LEU QB 5.340 . 5.840 4.274 4.086 4.676 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
389 2 5 HIS HA 2 6 LEU MD1 6.950 . 7.450 4.978 3.293 5.184 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
390 2 5 HIS HA 2 6 LEU MD2 8.150 . 8.650 5.209 4.895 5.786 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
391 2 5 HIS HA 2 6 LEU HG 6.000 . 6.500 4.199 3.803 5.020 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
392 2 5 HIS QB 2 6 LEU H 5.580 . 6.080 2.967 1.871 3.215 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
393 2 5 HIS HB2 2 6 LEU H 4.960 . 5.460 4.095 2.420 4.306 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
394 2 5 HIS HB3 2 6 LEU H 4.160 . 4.660 3.046 1.948 3.319 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
395 2 6 LEU CG 2 7 CYS H 4.780 . 5.280 4.596 4.389 4.800 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
396 2 6 LEU CG 2 10 HIS HA 6.660 . 7.160 6.611 6.272 6.726 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
397 2 6 LEU CG 2 10 HIS QB 6.010 . 6.510 4.752 4.201 5.244 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
398 2 6 LEU CG 2 10 HIS HE1 9.900 . 10.400 8.068 4.402 9.944 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
399 2 6 LEU CG 2 11 LEU HA 6.310 . 6.810 3.947 3.759 4.217 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
400 2 6 LEU CG 2 14 ALA H 5.910 . 6.410 5.873 5.731 5.942 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
401 2 6 LEU CG 2 14 ALA HA 6.690 . 7.190 6.442 6.219 6.695 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
402 2 6 LEU CG 2 14 ALA MB 7.720 . 8.220 3.539 3.383 3.744 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
403 2 6 LEU H 2 6 LEU HB3 4.160 . 4.660 3.829 3.723 4.215 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
404 2 6 LEU H 2 6 LEU HG 4.740 . 5.240 3.522 3.230 4.072 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
405 2 6 LEU H 2 7 CYS H 4.340 . 4.840 4.245 3.650 4.360 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
406 2 6 LEU HA 2 7 CYS H 2.690 . 3.190 2.210 2.150 2.274 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
407 2 6 LEU HA 2 7 CYS HB2 5.890 . 6.390 4.203 3.935 4.499 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
408 2 6 LEU HA 2 7 CYS QB 5.810 . 6.310 3.971 3.780 4.337 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
409 2 6 LEU HA 2 7 CYS HB3 5.890 . 6.390 4.908 4.640 5.681 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
410 2 6 LEU QB 2 7 CYS H 4.430 . 4.930 3.209 2.800 3.510 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
411 2 6 LEU QB 2 10 HIS QB 7.070 . 7.570 3.895 3.325 4.285 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
412 2 6 LEU QB 2 11 LEU HA 4.380 . 4.880 2.324 2.146 2.531 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
413 2 6 LEU QB 2 11 LEU QB 7.030 . 7.530 2.462 2.236 2.781 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
414 2 7 CYS H 2 7 CYS HB2 3.050 . 3.550 2.929 2.423 3.104 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
415 2 7 CYS H 2 7 CYS HB3 3.550 . 4.050 3.092 2.868 3.671 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
416 2 7 CYS H 2 8 GLY H 5.030 . 5.530 4.428 4.314 4.503 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
417 2 7 CYS H 2 10 HIS HA 5.750 . 6.250 5.327 4.955 5.610 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
418 2 7 CYS H 2 10 HIS QB 3.500 . 4.000 2.493 1.956 2.969 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
419 2 7 CYS H 2 10 HIS HD2 6.000 . 6.500 4.965 3.615 5.975 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
420 2 7 CYS H 2 11 LEU H 4.850 . 5.350 3.310 2.951 3.627 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
421 2 7 CYS HA 2 8 GLY H 2.620 . 3.120 2.230 2.153 2.310 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
422 2 7 CYS HA 2 11 LEU CG 5.540 . 6.040 4.422 4.027 5.235 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
423 2 7 CYS HA 2 11 LEU HB2 4.960 . 5.460 2.829 2.438 3.506 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
424 2 7 CYS HA 2 11 LEU QB 4.580 . 5.080 2.714 2.355 3.320 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
425 2 7 CYS HA 2 11 LEU HB3 4.960 . 5.460 3.502 3.110 4.135 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
426 2 7 CYS HA 2 11 LEU MD1 8.430 . 8.930 4.409 4.017 5.040 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
427 2 7 CYS HA 2 11 LEU MD2 8.430 . 8.930 3.016 2.644 3.815 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
428 2 7 CYS QB 2 8 GLY H 4.480 . 4.980 3.444 2.896 3.725 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
429 2 7 CYS QB 2 8 GLY QA 5.730 . 6.230 3.976 3.552 4.236 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
430 2 8 GLY H 2 11 LEU CG 5.850 . 6.350 4.878 4.699 5.177 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
431 2 8 GLY H 2 11 LEU QB 4.620 . 5.120 3.097 2.967 3.344 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
432 2 8 GLY H 2 11 LEU MD1 7.600 . 8.100 5.365 5.180 5.609 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
433 2 8 GLY H 2 11 LEU MD2 7.600 . 8.100 3.382 3.154 3.631 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
434 2 8 GLY HA2 2 9 SER H 3.440 . 3.940 3.178 3.062 3.285 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
435 2 8 GLY HA3 2 9 SER H 2.940 . 3.440 2.140 2.118 2.191 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
436 2 9 SER H 2 10 HIS H 3.010 . 3.510 2.916 2.807 3.007 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
437 2 9 SER H 2 12 VAL CB 6.620 . 7.120 5.784 5.616 6.031 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
438 2 9 SER HA 2 11 LEU H 4.850 . 5.350 4.454 4.310 4.581 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
439 2 9 SER HA 2 12 VAL CB 4.960 . 5.460 3.445 3.145 3.765 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
440 2 9 SER HA 2 12 VAL H 4.090 . 4.590 3.468 3.177 3.672 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
441 2 9 SER HA 2 12 VAL HA 6.000 . 6.500 5.298 4.965 5.592 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
442 2 9 SER QB 2 10 HIS H 5.340 . 5.840 3.082 2.653 3.522 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
443 2 9 SER QB 2 10 HIS HA 7.040 . 7.540 4.157 3.893 4.394 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
444 2 9 SER QB 2 10 HIS HD2 7.720 . 8.220 5.760 4.146 6.915 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
445 2 9 SER QB 2 12 VAL CB 8.680 . 9.180 5.118 4.895 5.507 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
446 2 9 SER QB 2 12 VAL H 6.990 . 7.490 4.965 4.843 5.110 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
447 2 10 HIS H 2 10 HIS HB2 3.080 . 3.580 2.461 2.326 2.693 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
448 2 10 HIS H 2 10 HIS QB 2.920 . 3.420 2.357 2.196 2.617 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
449 2 10 HIS H 2 10 HIS HB3 3.500 . 4.000 3.203 2.515 3.576 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
450 2 10 HIS H 2 11 LEU H 3.340 . 3.840 2.626 2.495 2.798 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
451 2 10 HIS H 2 11 LEU QB 6.020 . 6.520 4.367 4.226 4.580 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
452 2 10 HIS HA 2 13 GLU H 3.660 . 4.160 3.402 3.155 3.665 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
453 2 10 HIS HA 2 13 GLU QB 3.850 . 4.350 2.474 2.091 2.797 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
454 2 10 HIS HA 2 13 GLU HG2 6.000 . 6.500 4.640 3.828 5.475 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
455 2 10 HIS HA 2 13 GLU HG3 6.000 . 6.500 4.616 3.158 5.759 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
456 2 10 HIS HA 2 14 ALA H 4.160 . 4.660 3.878 3.670 4.038 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
457 2 10 HIS HA 2 14 ALA MB 8.430 . 8.930 4.568 4.385 4.726 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
458 2 10 HIS QB 2 11 LEU H 4.800 . 5.300 2.750 2.517 2.962 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
459 2 10 HIS QB 2 14 ALA MB 9.100 . 9.600 4.479 4.158 4.997 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
460 2 10 HIS HB2 2 11 LEU H 4.200 . 4.700 3.240 2.554 4.021 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
461 2 10 HIS HB3 2 11 LEU H 3.800 . 4.300 3.433 2.708 3.835 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
462 2 10 HIS HD2 2 13 GLU QB 8.430 . 8.930 5.758 2.949 6.890 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
463 2 11 LEU H 2 11 LEU HB2 3.230 . 3.730 2.600 2.545 2.669 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
464 2 11 LEU H 2 11 LEU QB 3.170 . 3.670 2.229 2.192 2.282 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
465 2 11 LEU H 2 11 LEU HB3 3.230 . 3.730 2.425 2.350 2.493 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
466 2 11 LEU H 2 11 LEU HG 5.210 . 5.710 4.459 4.397 4.506 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
467 2 11 LEU H 2 12 VAL CB 6.450 . 6.950 5.118 5.014 5.219 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
468 2 11 LEU H 2 12 VAL H 3.660 . 4.160 2.615 2.552 2.676 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
469 2 11 LEU HA 2 12 VAL CB 6.900 . 7.400 5.794 5.776 5.815 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
470 2 11 LEU HA 2 14 ALA H 3.520 . 4.020 3.348 3.159 3.520 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
471 2 11 LEU HA 2 14 ALA MB 6.440 . 6.940 2.480 2.363 2.664 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
472 2 11 LEU QB 2 12 VAL CB 5.650 . 6.150 4.770 4.634 4.884 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
473 2 11 LEU QB 2 12 VAL H 4.680 . 5.180 2.574 2.480 2.659 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
474 2 11 LEU QB 2 12 VAL HA 5.420 . 5.920 4.397 4.231 4.482 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
475 2 11 LEU QB 2 14 ALA MB 7.750 . 8.250 4.265 4.135 4.461 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
476 2 11 LEU HB2 2 12 VAL H 4.190 . 4.690 3.917 3.837 3.990 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
477 2 11 LEU HB3 2 12 VAL H 3.590 . 4.090 2.611 2.511 2.701 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
478 2 11 LEU MD1 2 12 VAL HA 7.390 . 7.890 4.760 4.592 4.914 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
479 2 11 LEU MD2 2 12 VAL HA 7.390 . 7.890 5.134 4.725 5.361 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
480 2 11 LEU HG 2 12 VAL CB 5.480 . 5.980 5.298 5.015 5.485 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
481 2 11 LEU HG 2 12 VAL H 5.710 . 6.210 3.715 3.560 3.853 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
482 2 11 LEU HG 2 12 VAL HA 6.000 . 6.500 3.939 3.612 4.154 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
483 2 11 LEU HG 2 12 VAL MG1 7.730 . 8.230 5.765 5.448 5.960 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
484 2 11 LEU HG 2 12 VAL MG2 7.730 . 8.230 3.941 3.686 4.174 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
485 2 11 LEU HG 2 15 LEU CG 4.870 . 5.370 4.088 3.429 4.957 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
486 2 11 LEU HG 2 15 LEU H 5.420 . 5.920 4.576 4.312 4.783 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
487 2 11 LEU HG 2 15 LEU MD1 7.570 . 8.070 2.879 2.076 4.984 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
488 2 11 LEU HG 2 15 LEU MD2 7.570 . 8.070 4.015 2.278 4.526 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
489 2 11 LEU HG 2 16 TYR H 7.000 . 7.500 6.852 6.363 7.052 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
490 2 12 VAL CB 2 13 GLU H 4.470 . 4.970 3.108 3.010 3.154 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
491 2 12 VAL CB 2 13 GLU QB 6.760 . 7.260 4.917 4.614 5.339 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
492 2 12 VAL CB 2 14 ALA H 6.720 . 7.220 5.331 5.262 5.393 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
493 2 12 VAL CB 2 15 LEU H 6.900 . 7.400 5.246 5.136 5.382 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
494 2 12 VAL CB 2 16 TYR H 5.860 . 6.360 5.390 5.224 5.639 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
495 2 12 VAL CB 2 16 TYR QD 8.050 . 8.550 4.514 4.181 5.329 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
496 2 12 VAL CB 2 16 TYR QE 8.050 . 8.550 4.732 4.347 6.862 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
497 2 12 VAL CB 2 24 PHE QE 8.770 . 9.270 4.638 3.696 7.820 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
498 2 12 VAL H 2 12 VAL HB 2.830 . 3.330 2.410 2.315 2.536 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
499 2 12 VAL H 2 13 GLU H 3.480 . 3.980 2.854 2.795 2.913 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
500 2 12 VAL H 2 13 GLU QB 5.580 . 6.080 4.581 4.324 4.764 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
501 2 12 VAL H 2 14 ALA H 4.270 . 4.770 4.266 4.209 4.313 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
502 2 12 VAL H 2 15 LEU H 4.670 . 5.170 4.731 4.697 4.759 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
503 2 12 VAL HA 2 13 GLU H 3.880 . 4.380 3.619 3.591 3.635 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
504 2 12 VAL HA 2 14 ALA H 4.670 . 5.170 4.633 4.510 4.691 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
505 2 12 VAL HA 2 14 ALA MB 8.430 . 8.930 5.067 4.938 5.226 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
506 2 12 VAL HA 2 15 LEU CG 5.450 . 5.950 4.101 3.799 4.717 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
507 2 12 VAL HA 2 15 LEU H 3.840 . 4.340 3.544 3.369 3.694 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
508 2 12 VAL HA 2 15 LEU QB 4.160 . 4.660 2.618 2.416 2.807 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
509 2 12 VAL HA 2 16 TYR H 4.380 . 4.880 4.123 3.816 4.382 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
510 2 12 VAL HA 2 24 PHE QE 9.130 . 9.630 3.860 2.785 7.544 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
511 2 12 VAL HB 2 13 GLU H 2.690 . 3.190 2.691 2.574 2.728 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
512 2 12 VAL MG1 2 24 PHE QE 12.330 . 12.830 3.082 2.198 5.235 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
513 2 12 VAL MG2 2 24 PHE QE 12.330 . 12.830 3.467 2.460 7.085 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
514 2 13 GLU H 2 13 GLU HB2 2.980 . 3.480 2.425 2.340 2.510 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
515 2 13 GLU H 2 13 GLU HB3 3.980 . 4.480 2.948 2.314 3.643 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
516 2 13 GLU H 2 14 ALA H 3.480 . 3.980 2.860 2.800 2.936 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
517 2 13 GLU H 2 14 ALA MB 7.090 . 7.590 4.475 4.416 4.550 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
518 2 13 GLU HA 2 16 TYR QB 4.530 . 5.030 2.775 2.302 4.091 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
519 2 13 GLU QB 2 14 ALA HA 6.520 . 7.020 4.159 3.777 4.391 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
520 2 13 GLU QB 2 14 ALA MB 8.380 . 8.880 3.868 3.593 4.057 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
521 2 13 GLU HB2 2 14 ALA H 3.930 . 4.430 3.395 2.440 3.965 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
522 2 13 GLU HB3 2 14 ALA H 3.730 . 4.230 2.957 2.474 3.587 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
523 2 13 GLU QG 2 14 ALA H 6.520 . 7.020 3.888 3.340 4.391 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
524 2 14 ALA H 2 15 LEU H 2.900 . 3.400 2.817 2.703 2.882 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
525 2 14 ALA H 2 16 TYR H 4.310 . 4.810 4.329 4.240 4.406 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
526 2 14 ALA MB 2 15 LEU CG 8.450 . 8.950 4.605 4.277 5.694 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
527 2 14 ALA MB 2 15 LEU H 5.220 . 5.720 2.575 2.495 2.640 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
528 2 14 ALA MB 2 15 LEU MD1 11.600 . 12.100 4.477 2.972 4.978 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
529 2 14 ALA MB 2 15 LEU MD2 11.600 . 12.100 4.446 3.099 5.420 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
530 2 14 ALA MB 2 16 TYR H 6.440 . 6.940 4.692 4.634 4.789 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
531 2 14 ALA MB 2 17 LEU QB 7.980 . 8.480 3.933 3.768 4.158 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
532 2 14 ALA MB 2 17 LEU MD1 11.600 . 12.100 3.985 3.527 5.151 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
533 2 14 ALA MB 2 17 LEU MD2 11.600 . 12.100 5.553 4.323 6.029 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
534 2 14 ALA MB 2 18 VAL H 7.480 . 7.980 4.391 4.255 4.526 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
535 2 14 ALA MB 2 18 VAL HB 7.430 . 7.930 4.570 4.173 4.901 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
536 2 15 LEU CG 2 16 TYR H 6.150 . 6.650 4.518 3.951 4.756 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
537 2 15 LEU CG 2 16 TYR QE 10.000 . 10.500 7.532 4.971 8.853 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
538 2 15 LEU CG 2 18 VAL CB 7.680 . 8.180 6.444 6.010 6.871 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
539 2 15 LEU CG 2 18 VAL HB 5.760 . 6.260 5.374 4.964 5.783 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
540 2 15 LEU CG 2 24 PHE QD 10.000 . 10.500 4.260 3.381 6.154 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
541 2 15 LEU CG 2 24 PHE QE 10.000 . 10.500 4.888 3.859 7.862 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
542 2 15 LEU CG 2 26 TYR QB 7.430 . 7.930 4.893 3.189 6.268 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
543 2 15 LEU H 2 15 LEU HB2 3.410 . 3.910 2.337 2.146 2.432 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
544 2 15 LEU H 2 15 LEU QB 2.870 . 3.370 2.282 2.126 2.362 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
545 2 15 LEU H 2 15 LEU HB3 3.810 . 4.310 3.429 2.377 3.601 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
546 2 15 LEU H 2 16 TYR H 3.770 . 4.270 2.853 2.766 2.954 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
547 2 15 LEU H 2 16 TYR QB 5.900 . 6.400 4.736 4.560 5.213 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
548 2 15 LEU H 2 16 TYR QE 9.130 . 9.630 6.866 6.263 7.204 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
549 2 15 LEU H 2 18 VAL CB 6.900 . 7.400 5.994 5.776 6.144 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
550 2 15 LEU H 2 18 VAL H 4.930 . 5.430 4.748 4.690 4.805 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
551 2 15 LEU HA 2 16 TYR QE 9.130 . 9.630 7.622 6.737 8.118 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
552 2 15 LEU HA 2 17 LEU H 5.170 . 5.670 4.556 4.340 4.781 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
553 2 15 LEU HA 2 18 VAL CB 4.170 . 4.670 3.930 3.594 4.232 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
554 2 15 LEU HA 2 18 VAL HB 3.480 . 3.980 2.851 2.506 3.150 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
555 2 15 LEU HA 2 18 VAL MG1 6.570 . 7.070 4.126 3.766 4.352 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
556 2 15 LEU HA 2 18 VAL MG2 6.570 . 7.070 3.908 3.576 4.228 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
557 2 15 LEU HA 2 19 CYS H 4.200 . 4.700 3.609 3.137 4.155 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
558 2 15 LEU QB 2 16 TYR H 3.870 . 4.370 2.649 2.457 2.880 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
559 2 15 LEU QB 2 16 TYR QB 8.340 . 8.840 4.382 3.815 4.743 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
560 2 15 LEU QB 2 26 TYR QB 7.070 . 7.570 4.662 2.773 5.678 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
561 2 15 LEU HB2 2 16 TYR H 4.060 . 4.560 2.900 2.611 4.010 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
562 2 15 LEU HB2 2 24 PHE QD 9.130 . 9.630 3.925 2.503 6.545 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
563 2 15 LEU HB2 2 24 PHE QE 9.130 . 9.630 3.976 2.874 7.969 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
564 2 15 LEU HB3 2 16 TYR H 4.060 . 4.560 3.378 2.488 3.647 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
565 2 15 LEU HB3 2 24 PHE QD 9.130 . 9.630 3.074 2.270 5.480 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
566 2 15 LEU HB3 2 24 PHE QE 9.130 . 9.630 3.890 3.106 6.769 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
567 2 15 LEU MD1 2 16 TYR H 8.430 . 8.930 4.580 4.423 4.791 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
568 2 15 LEU MD1 2 19 CYS H 8.430 . 8.930 6.001 3.765 6.761 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
569 2 15 LEU MD2 2 16 TYR H 8.430 . 8.930 4.770 4.171 4.934 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
570 2 15 LEU MD2 2 19 CYS H 8.430 . 8.930 4.943 4.324 6.441 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
571 2 15 LEU HG 2 16 TYR H 6.000 . 6.500 4.652 3.604 5.160 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
572 2 16 TYR H 2 17 LEU H 3.160 . 3.660 2.797 2.659 2.914 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
573 2 16 TYR H 2 17 LEU QB 5.670 . 6.170 4.682 4.568 4.794 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
574 2 16 TYR H 2 18 VAL H 4.380 . 4.880 4.372 4.287 4.412 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
575 2 16 TYR H 2 19 CYS H 5.240 . 5.740 4.864 4.713 5.022 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
576 2 16 TYR H 2 24 PHE QD 9.130 . 9.630 4.318 3.159 5.734 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
577 2 16 TYR H 2 24 PHE QE 9.130 . 9.630 4.009 3.017 7.010 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
578 2 16 TYR HA 2 18 VAL H 5.460 . 5.960 4.688 4.439 4.944 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
579 2 16 TYR HA 2 19 CYS H 4.240 . 4.740 3.846 3.290 4.257 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
580 2 16 TYR HA 2 24 PHE H 6.000 . 6.500 5.438 3.501 6.060 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
581 2 16 TYR HA 2 24 PHE QD 9.130 . 9.630 3.496 2.601 5.235 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
582 2 16 TYR HA 2 24 PHE QE 8.440 . 8.940 3.883 2.351 7.168 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
583 2 16 TYR QB 2 17 LEU CG 7.530 . 8.030 4.520 4.087 5.627 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
584 2 16 TYR QB 2 17 LEU H 4.690 . 5.190 2.755 2.516 3.743 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
585 2 16 TYR QB 2 17 LEU HA 7.040 . 7.540 4.039 3.783 4.896 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
586 2 16 TYR QB 2 17 LEU QB 8.340 . 8.840 4.460 4.025 5.413 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
587 2 16 TYR QB 2 18 VAL H 7.040 . 7.540 4.928 4.742 5.459 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
588 2 16 TYR QB 2 19 CYS H 7.720 . 8.220 5.259 4.924 5.431 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
589 2 16 TYR QB 2 24 PHE QD 11.350 . 11.850 4.713 2.260 5.720 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
590 2 16 TYR QB 2 24 PHE QE 11.350 . 11.850 4.098 2.257 7.305 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
591 2 16 TYR QD 2 17 LEU HA 8.470 . 8.970 5.564 3.189 6.005 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
592 2 16 TYR QD 2 17 LEU HG 7.830 . 8.330 5.544 2.794 7.017 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
593 2 16 TYR QD 2 20 GLY QA 11.350 . 11.850 4.871 2.335 6.420 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
594 2 16 TYR QE 2 17 LEU HA 9.130 . 9.630 7.570 3.945 8.141 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
595 2 17 LEU H 2 17 LEU HB2 3.300 . 3.800 2.328 2.167 2.382 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
596 2 17 LEU H 2 17 LEU QB 3.150 . 3.650 2.299 2.146 2.350 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
597 2 17 LEU H 2 17 LEU HB3 3.700 . 4.200 3.566 3.477 3.594 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
598 2 17 LEU H 2 17 LEU HG 4.160 . 4.660 2.779 2.414 4.100 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
599 2 17 LEU H 2 18 VAL CB 5.790 . 6.290 5.334 5.243 5.421 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
600 2 17 LEU H 2 18 VAL H 2.870 . 3.370 2.776 2.700 2.833 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
601 2 17 LEU H 2 19 CYS H 4.590 . 5.090 4.386 4.130 4.515 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
602 2 17 LEU HA 2 17 LEU HG 4.020 . 4.520 2.826 2.352 3.028 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
603 2 17 LEU HA 2 18 VAL CB 5.980 . 6.480 5.790 5.766 5.813 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
604 2 17 LEU HA 2 19 CYS H 4.930 . 5.430 4.813 4.355 4.951 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
605 2 17 LEU HA 2 20 GLY H 4.530 . 5.030 4.020 3.571 4.403 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
606 2 17 LEU QB 2 18 VAL HA 5.390 . 5.890 3.964 3.827 4.137 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
607 2 17 LEU QB 2 19 CYS H 6.170 . 6.670 4.904 4.678 5.010 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
608 2 17 LEU HB2 2 18 VAL H 3.340 . 3.840 2.714 2.487 2.946 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
609 2 17 LEU HB2 2 18 VAL HA 4.830 . 5.330 4.650 4.413 4.877 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
610 2 17 LEU HB3 2 18 VAL H 3.840 . 4.340 3.460 3.177 3.616 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
611 2 17 LEU HB3 2 18 VAL HA 4.630 . 5.130 4.309 4.035 4.542 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
612 2 17 LEU HG 2 18 VAL H 6.000 . 6.500 4.706 4.476 5.144 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
613 2 18 VAL CB 2 19 CYS H 4.510 . 5.010 3.149 3.047 3.266 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
614 2 18 VAL CB 2 19 CYS HA 5.810 . 6.310 4.631 4.501 4.816 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
615 2 18 VAL CB 2 19 CYS QB 7.430 . 7.930 4.879 3.682 5.262 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
616 2 18 VAL CB 2 20 GLY H 6.900 . 7.400 5.229 4.976 5.431 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
617 2 18 VAL H 2 18 VAL HA 2.870 . 3.370 2.884 2.860 2.901 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
618 2 18 VAL H 2 18 VAL HB 2.980 . 3.480 2.396 2.342 2.438 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
619 2 18 VAL H 2 19 CYS H 2.830 . 3.330 2.767 2.657 2.833 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
620 2 18 VAL H 2 19 CYS HA 6.000 . 6.500 5.396 5.333 5.444 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
621 2 18 VAL H 2 19 CYS QB 6.110 . 6.610 4.769 4.293 4.983 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
622 2 18 VAL H 2 20 GLY H 5.280 . 5.780 4.193 3.983 4.416 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
623 2 18 VAL HA 2 19 CYS QB 7.710 . 8.210 5.438 4.671 5.612 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
624 2 18 VAL HB 2 19 CYS H 2.870 . 3.370 2.747 2.594 2.901 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
625 2 18 VAL HB 2 19 CYS HA 4.740 . 5.240 4.635 4.468 4.791 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
626 2 18 VAL MG1 2 19 CYS H 6.220 . 6.720 3.293 3.144 3.530 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
627 2 18 VAL MG1 2 19 CYS HA 8.430 . 8.930 3.346 3.131 3.758 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
628 2 18 VAL MG2 2 19 CYS H 6.220 . 6.720 4.080 4.003 4.140 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
629 2 18 VAL MG2 2 19 CYS HA 8.430 . 8.930 5.480 5.380 5.613 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
630 2 19 CYS H 2 19 CYS HB2 3.050 . 3.550 2.494 2.406 2.710 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
631 2 19 CYS H 2 19 CYS HB3 3.650 . 4.150 3.299 2.354 3.655 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
632 2 19 CYS H 2 20 GLY H 2.690 . 3.190 2.571 2.282 2.725 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
633 2 19 CYS H 2 20 GLY QA 6.350 . 6.850 4.452 3.939 4.593 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
634 2 19 CYS H 2 21 GLU H 7.000 . 7.500 6.888 4.899 7.046 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
635 2 19 CYS H 2 24 PHE QB 6.520 . 7.020 4.999 3.865 5.839 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
636 2 19 CYS HA 2 20 GLY H 3.670 . 4.170 3.508 3.140 3.589 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
637 2 19 CYS HA 2 22 ARG QB 5.990 . 6.490 3.963 2.603 5.345 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
638 2 19 CYS HA 2 22 ARG HE 6.000 . 6.500 4.228 2.540 6.054 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
639 2 19 CYS HA 2 22 ARG QG 7.720 . 8.220 5.049 2.425 6.619 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
640 2 19 CYS QB 2 20 GLY H 5.230 . 5.730 2.950 2.545 3.729 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
641 2 19 CYS QB 2 22 ARG HE 6.520 . 7.020 4.460 3.422 5.845 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
642 2 19 CYS QB 2 23 GLY H 4.550 . 5.050 3.417 2.638 4.109 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
643 2 19 CYS QB 2 23 GLY QA 6.560 . 7.060 3.770 2.820 4.757 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
644 2 19 CYS QB 2 24 PHE H 6.520 . 7.020 4.524 3.474 5.524 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
645 2 19 CYS QB 2 24 PHE QE 9.800 . 10.300 5.401 3.708 7.800 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
646 2 19 CYS HB2 2 20 GLY H 4.660 . 5.160 3.351 2.603 4.342 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
647 2 19 CYS HB2 2 24 PHE QD 9.130 . 9.630 3.980 2.721 7.056 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
648 2 19 CYS HB3 2 20 GLY H 4.920 . 5.420 3.715 2.654 4.460 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
649 2 19 CYS HB3 2 24 PHE QD 9.130 . 9.630 4.530 2.369 6.724 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
650 2 21 GLU H 2 21 GLU HB2 3.840 . 4.340 2.951 2.291 3.644 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
651 2 21 GLU H 2 21 GLU HB3 3.440 . 3.940 2.550 2.431 2.738 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
652 2 21 GLU H 2 21 GLU QG 4.890 . 5.390 3.252 2.137 4.033 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
653 2 21 GLU H 2 22 ARG H 3.560 . 4.060 2.808 2.351 2.934 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
654 2 21 GLU H 2 22 ARG QB 5.540 . 6.040 4.861 4.342 4.986 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
655 2 21 GLU H 2 22 ARG QG 7.720 . 8.220 4.273 3.797 6.022 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
656 2 21 GLU HA 2 23 GLY H 4.060 . 4.560 3.934 3.615 4.144 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
657 2 21 GLU QB 2 22 ARG H 4.870 . 5.370 3.420 2.788 3.879 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
658 2 21 GLU HB2 2 22 ARG H 4.800 . 5.300 4.192 3.997 4.326 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
659 2 21 GLU HB3 2 22 ARG H 4.340 . 4.840 3.721 2.845 4.394 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
660 2 21 GLU QG 2 22 ARG H 6.110 . 6.610 3.534 2.717 4.246 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
661 2 21 GLU HG2 2 22 ARG HA 5.280 . 5.780 4.377 3.704 4.990 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
662 2 21 GLU HG3 2 22 ARG HA 5.680 . 6.180 5.053 3.527 5.701 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
663 2 22 ARG H 2 22 ARG QB 3.340 . 3.840 2.414 2.030 2.524 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
664 2 22 ARG H 2 22 ARG HE 6.000 . 6.500 4.166 2.355 6.040 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
665 2 22 ARG HA 2 22 ARG HE 5.500 . 6.000 4.828 3.719 5.424 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
666 2 22 ARG QB 2 23 GLY H 4.870 . 5.370 2.799 2.486 3.147 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
667 2 22 ARG HB2 2 22 ARG HE 4.630 . 5.130 2.914 2.123 4.553 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
668 2 22 ARG HB2 2 23 GLY H 3.840 . 4.340 2.898 2.564 3.727 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
669 2 22 ARG HB3 2 22 ARG HE 4.630 . 5.130 3.324 2.245 4.542 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
670 2 22 ARG HB3 2 23 GLY H 4.340 . 4.840 3.787 2.927 4.103 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
671 2 23 GLY H 2 24 PHE H 4.880 . 5.380 4.368 3.419 4.654 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
672 2 23 GLY QA 2 24 PHE H 3.410 . 3.910 2.211 2.129 2.297 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
673 2 23 GLY QA 2 24 PHE QD 9.790 . 10.290 3.375 2.738 5.444 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
674 2 24 PHE H 2 24 PHE HB2 4.080 . 4.580 3.731 2.537 3.965 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
675 2 24 PHE H 2 24 PHE HB3 3.080 . 3.580 3.027 2.282 3.213 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
676 2 24 PHE H 2 25 PHE H 4.900 . 5.400 4.494 4.257 4.672 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
677 2 24 PHE HA 2 25 PHE H 3.120 . 3.620 2.302 2.163 2.484 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
678 2 24 PHE HA 2 25 PHE QD 9.130 . 9.630 5.441 2.991 6.040 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
679 2 24 PHE HA 2 25 PHE QE 9.130 . 9.630 7.403 4.279 8.136 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
680 2 24 PHE QB 2 25 PHE H 4.480 . 4.980 2.597 2.284 3.543 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
681 2 24 PHE HB2 2 25 PHE H 3.950 . 4.450 2.663 2.305 3.971 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
682 2 24 PHE HB3 2 25 PHE H 3.950 . 4.450 3.819 3.550 3.996 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
683 2 24 PHE QD 2 25 PHE H 9.130 . 9.630 3.483 2.773 4.037 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
684 2 24 PHE QD 2 26 TYR H 9.130 . 9.630 3.167 2.030 4.553 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
685 2 24 PHE QE 2 26 TYR QB 9.800 . 10.300 3.278 2.238 6.492 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
686 2 25 PHE H 2 25 PHE QB 3.730 . 4.230 2.513 2.183 3.093 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
687 2 25 PHE H 2 26 TYR H 5.140 . 5.640 3.294 1.906 4.601 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
688 2 25 PHE QB 2 26 TYR H 6.170 . 6.670 3.546 2.348 4.093 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
689 2 25 PHE QD 2 26 TYR H 9.130 . 9.630 3.873 2.502 4.970 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
690 2 25 PHE QD 2 26 TYR QD 12.020 . 12.520 5.654 3.413 7.315 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
691 2 25 PHE QD 2 27 THR H 9.130 . 9.630 5.449 3.890 7.862 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
692 2 26 TYR H 2 26 TYR HB2 3.520 . 4.020 2.991 2.269 3.599 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
693 2 26 TYR H 2 26 TYR HB3 3.920 . 4.420 2.639 2.222 3.812 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
694 2 26 TYR H 2 27 THR H 4.700 . 5.200 4.429 2.817 4.702 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
695 2 26 TYR HA 2 27 THR H 3.080 . 3.580 2.225 2.078 2.887 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
696 2 26 TYR QB 2 27 THR H 4.550 . 5.050 3.529 2.327 4.054 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
697 2 26 TYR QD 2 27 THR H 9.130 . 9.630 3.481 2.451 4.958 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
698 2 26 TYR QD 2 28 PRO HA 9.130 . 9.630 4.909 3.167 7.227 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
699 2 26 TYR QD 2 28 PRO QD 11.360 . 11.860 3.765 2.144 5.761 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
700 2 26 TYR QE 2 28 PRO HA 9.130 . 9.630 4.191 2.115 7.573 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
701 2 26 TYR QE 2 28 PRO HB2 9.130 . 9.630 5.468 4.234 8.148 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
702 2 26 TYR QE 2 28 PRO HB3 9.130 . 9.630 4.229 2.578 8.161 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
703 2 26 TYR QE 2 28 PRO QD 11.360 . 11.860 4.045 2.402 6.545 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
704 2 27 THR H 2 27 THR HB 4.140 . 4.640 3.399 2.358 3.935 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
705 2 27 THR H 2 28 PRO QD 7.730 . 8.230 4.027 1.708 4.507 0.092 39 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
706 2 27 THR HB 2 28 PRO QD 7.730 . 8.230 3.568 2.065 4.469 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
707 2 27 THR MG 2 28 PRO HA 8.430 . 8.930 5.124 4.036 5.867 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
708 2 27 THR MG 2 28 PRO QD 9.930 . 10.430 3.221 2.191 4.245 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
709 2 28 PRO HA 2 29 LYS H 2.760 . 3.260 2.369 2.101 2.848 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
710 2 28 PRO HA 2 29 LYS QB 6.520 . 7.020 4.358 3.914 4.993 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
711 2 28 PRO QB 2 29 LYS H 4.140 . 4.640 2.776 1.908 3.670 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
712 2 28 PRO HB2 2 29 LYS H 4.200 . 4.700 2.992 1.918 4.032 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
713 2 28 PRO HB3 2 29 LYS H 4.200 . 4.700 3.589 2.412 4.253 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
714 2 28 PRO QD 2 32 ARG QB 8.350 . 8.850 4.775 2.163 6.657 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
715 2 29 LYS H 2 29 LYS HB2 3.930 . 4.430 2.735 2.089 3.875 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
716 2 29 LYS H 2 29 LYS HB3 4.130 . 4.630 2.989 2.224 4.153 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
717 2 29 LYS H 2 30 THR H 3.520 . 4.020 2.791 1.966 3.572 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
718 2 29 LYS QB 2 30 THR H 5.120 . 5.620 3.089 2.335 4.068 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
719 2 29 LYS QB 2 31 LYS H 6.270 . 6.770 4.896 2.682 5.646 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
720 2 29 LYS HB2 2 30 THR H 4.500 . 5.000 3.777 2.444 4.539 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
721 2 29 LYS HB3 2 30 THR H 4.800 . 5.300 3.525 2.358 4.628 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
722 2 30 THR H 2 31 LYS H 3.910 . 4.410 2.848 2.047 4.035 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
723 2 30 THR MG 2 31 LYS H 8.430 . 8.930 3.711 2.121 4.422 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
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