NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
479726 |
2rr4   |
11115 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2rr4
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 1403
_Distance_constraint_stats_list.Viol_count 3
_Distance_constraint_stats_list.Viol_total 0.215
_Distance_constraint_stats_list.Viol_max 0.009
_Distance_constraint_stats_list.Viol_rms 0.0001
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0000
_Distance_constraint_stats_list.Viol_average_violations_only 0.0036
_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 8 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 9 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 10 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 11 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 12 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 13 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 14 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 15 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 16 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 17 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 18 TRP 0.010 0.009 17 0 "[ . 1 . 2]"
1 19 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 20 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 21 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 22 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 23 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 24 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 25 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 26 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 27 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 28 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 29 TRP 0.000 0.000 . 0 "[ . 1 . 2]"
1 30 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 31 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 32 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 33 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 34 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 35 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 36 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 37 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 38 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 39 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 40 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 41 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 42 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 43 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 44 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 45 TRP 0.000 0.000 . 0 "[ . 1 . 2]"
1 46 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 47 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 48 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 49 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 50 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 51 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 52 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 53 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 54 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 55 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 56 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 57 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 58 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 59 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 60 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 61 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 62 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 63 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 64 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 65 TRP 0.000 0.000 . 0 "[ . 1 . 2]"
1 66 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 68 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 69 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
2 1 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
2 2 ARG 0.001 0.001 14 0 "[ . 1 . 2]"
2 3 THR 0.001 0.001 14 0 "[ . 1 . 2]"
2 4 . 0.000 0.000 . 0 "[ . 1 . 2]"
2 5 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
2 6 THR 0.010 0.009 17 0 "[ . 1 . 2]"
2 7 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
2 8 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
2 9 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 8 GLU HA 1 9 ILE H 2.870 . 3.370 2.350 2.159 2.901 . 0 0 "[ . 1 . 2]" 1
2 1 8 GLU QB 1 9 ILE H 4.770 . 5.270 3.145 2.239 4.057 . 0 0 "[ . 1 . 2]" 1
3 1 9 ILE HA 1 10 SER H 3.230 . 3.730 2.223 2.133 2.547 . 0 0 "[ . 1 . 2]" 1
4 1 9 ILE HA 1 9 ILE HG12 4.000 . 4.500 3.008 2.489 3.739 . 0 0 "[ . 1 . 2]" 1
5 1 9 ILE HA 1 9 ILE HG13 4.000 . 4.500 3.171 2.472 3.850 . 0 0 "[ . 1 . 2]" 1
6 1 9 ILE H 1 9 ILE HB 3.200 . 3.700 2.638 2.477 2.999 . 0 0 "[ . 1 . 2]" 1
7 1 9 ILE H 1 9 ILE HG12 3.840 . 4.340 3.487 2.093 3.915 . 0 0 "[ . 1 . 2]" 1
8 1 9 ILE H 1 9 ILE HG13 3.840 . 4.340 3.033 2.085 3.893 . 0 0 "[ . 1 . 2]" 1
9 1 10 SER H 1 10 SER HB2 4.200 . 4.700 3.055 2.484 3.976 . 0 0 "[ . 1 . 2]" 1
10 1 10 SER H 1 10 SER HB3 4.200 . 4.700 3.220 2.358 4.086 . 0 0 "[ . 1 . 2]" 1
11 1 11 GLY HA2 1 12 PHE H 3.530 . 4.030 2.882 2.125 3.525 . 0 0 "[ . 1 . 2]" 1
12 1 11 GLY HA3 1 12 PHE H 3.530 . 4.030 2.700 2.149 3.516 . 0 0 "[ . 1 . 2]" 1
13 1 11 GLY H 1 12 PHE H 5.010 . 5.510 4.048 2.696 4.669 . 0 0 "[ . 1 . 2]" 1
14 1 11 GLY QA 1 12 PHE H 3.330 . 3.830 2.318 2.090 2.949 . 0 0 "[ . 1 . 2]" 1
15 1 12 PHE HA 1 13 GLY H 3.530 . 4.030 2.615 2.125 3.501 . 0 0 "[ . 1 . 2]" 1
16 1 12 PHE HB2 1 13 GLY H 4.500 . 5.000 3.717 2.334 4.511 . 0 0 "[ . 1 . 2]" 1
17 1 12 PHE HB3 1 13 GLY H 4.500 . 5.000 3.656 2.513 4.485 . 0 0 "[ . 1 . 2]" 1
18 1 12 PHE H 1 12 PHE HB2 3.890 . 4.390 2.919 2.397 3.931 . 0 0 "[ . 1 . 2]" 1
19 1 12 PHE H 1 12 PHE HB3 3.890 . 4.390 3.233 2.342 3.857 . 0 0 "[ . 1 . 2]" 1
20 1 12 PHE H 1 12 PHE QB 3.500 . 4.000 2.547 2.193 3.159 . 0 0 "[ . 1 . 2]" 1
21 1 12 PHE H 1 12 PHE QD 4.740 . 5.240 3.021 2.142 4.255 . 0 0 "[ . 1 . 2]" 1
22 1 12 PHE H 1 13 GLY H 5.300 . 5.800 3.955 2.266 4.669 . 0 0 "[ . 1 . 2]" 1
23 1 12 PHE QB 1 13 GLY H 4.420 . 4.920 3.123 2.311 3.947 . 0 0 "[ . 1 . 2]" 1
24 1 13 GLY H 1 14 GLN H 4.000 . 4.500 3.236 2.134 4.071 . 0 0 "[ . 1 . 2]" 1
25 1 13 GLY QA 1 14 GLN H 3.480 . 3.980 2.601 2.111 2.961 . 0 0 "[ . 1 . 2]" 1
26 1 14 GLN HA 1 14 GLN HG2 4.190 . 4.690 3.310 2.448 4.244 . 0 0 "[ . 1 . 2]" 1
27 1 14 GLN HA 1 14 GLN HG3 4.190 . 4.690 3.279 2.378 4.234 . 0 0 "[ . 1 . 2]" 1
28 1 14 GLN HA 1 15 CYS H 3.520 . 4.020 2.468 2.136 3.395 . 0 0 "[ . 1 . 2]" 1
29 1 14 GLN HB2 1 15 CYS H 4.740 . 5.240 3.761 2.265 4.606 . 0 0 "[ . 1 . 2]" 1
30 1 14 GLN HB3 1 15 CYS H 4.740 . 5.240 3.864 2.674 4.672 . 0 0 "[ . 1 . 2]" 1
31 1 14 GLN HG2 1 15 CYS H 5.500 . 6.000 4.459 3.166 5.103 . 0 0 "[ . 1 . 2]" 1
32 1 14 GLN HG3 1 15 CYS H 5.500 . 6.000 4.472 2.994 5.509 . 0 0 "[ . 1 . 2]" 1
33 1 14 GLN H 1 14 GLN HB2 3.980 . 4.480 3.049 2.403 4.004 . 0 0 "[ . 1 . 2]" 1
34 1 14 GLN H 1 14 GLN HB3 3.980 . 4.480 3.161 2.420 3.728 . 0 0 "[ . 1 . 2]" 1
35 1 14 GLN H 1 14 GLN HG2 5.120 . 5.620 3.415 2.195 4.717 . 0 0 "[ . 1 . 2]" 1
36 1 14 GLN H 1 14 GLN HG3 5.120 . 5.620 3.534 2.333 4.664 . 0 0 "[ . 1 . 2]" 1
37 1 14 GLN H 1 14 GLN QB 3.730 . 4.230 2.612 2.229 3.358 . 0 0 "[ . 1 . 2]" 1
38 1 14 GLN QB 1 15 CYS H 4.680 . 5.180 3.230 2.246 4.097 . 0 0 "[ . 1 . 2]" 1
39 1 15 CYS HB2 1 17 VAL MG2 6.610 . 7.110 4.707 3.686 5.523 . 0 0 "[ . 1 . 2]" 1
40 1 15 CYS HB3 1 17 VAL MG2 6.610 . 7.110 4.914 3.901 5.540 . 0 0 "[ . 1 . 2]" 1
41 1 16 LEU HA 1 16 LEU HG 3.770 . 4.270 3.014 2.505 3.722 . 0 0 "[ . 1 . 2]" 1
42 1 16 LEU HA 1 17 VAL HB 4.760 . 5.260 4.674 4.557 4.766 . 0 0 "[ . 1 . 2]" 1
43 1 16 LEU HA 1 17 VAL H 3.100 . 3.600 2.187 2.116 2.357 . 0 0 "[ . 1 . 2]" 1
44 1 16 LEU HA 1 17 VAL MG2 4.780 . 5.280 3.622 3.254 3.910 . 0 0 "[ . 1 . 2]" 1
45 1 16 LEU HB2 1 17 VAL H 4.700 . 5.200 4.250 2.445 4.555 . 0 0 "[ . 1 . 2]" 1
46 1 16 LEU HB2 1 18 TRP HE1 5.500 . 6.000 4.726 4.080 5.503 . 0 0 "[ . 1 . 2]" 1
47 1 16 LEU HB3 1 17 VAL H 4.700 . 5.200 4.213 3.653 4.528 . 0 0 "[ . 1 . 2]" 1
48 1 16 LEU HB3 1 18 TRP HE1 5.500 . 6.000 3.574 2.535 5.178 . 0 0 "[ . 1 . 2]" 1
49 1 16 LEU HG 1 17 VAL H 4.190 . 4.690 3.578 2.640 4.204 . 0 0 "[ . 1 . 2]" 1
50 1 16 LEU HG 1 18 TRP HD1 5.500 . 6.000 4.097 2.791 5.592 . 0 0 "[ . 1 . 2]" 1
51 1 16 LEU H 1 17 VAL MG2 5.720 . 6.220 4.404 3.477 4.839 . 0 0 "[ . 1 . 2]" 1
52 1 16 LEU QB 1 17 VAL H 4.520 . 5.020 3.747 2.410 4.003 . 0 0 "[ . 1 . 2]" 1
53 1 16 LEU QB 1 18 TRP HD1 5.050 . 5.550 4.059 3.290 4.543 . 0 0 "[ . 1 . 2]" 1
54 1 16 LEU QB 1 18 TRP HE1 5.200 . 5.700 3.434 2.512 4.279 . 0 0 "[ . 1 . 2]" 1
55 1 16 LEU MD1 1 17 VAL H 6.520 . 7.020 3.412 1.959 5.043 . 0 0 "[ . 1 . 2]" 1
56 1 16 LEU MD1 1 18 TRP HD1 5.610 . 6.110 4.299 3.601 4.706 . 0 0 "[ . 1 . 2]" 1
57 1 16 LEU MD1 1 18 TRP HE1 6.100 . 6.600 3.207 1.939 4.292 . 0 0 "[ . 1 . 2]" 1
58 1 16 LEU MD1 1 18 TRP HZ2 5.690 . 6.190 3.710 2.564 4.745 . 0 0 "[ . 1 . 2]" 1
59 1 16 LEU MD1 1 31 ARG HD2 5.520 . 6.020 2.751 2.030 4.071 . 0 0 "[ . 1 . 2]" 1
60 1 16 LEU MD1 1 31 ARG HD3 5.520 . 6.020 3.605 2.537 4.422 . 0 0 "[ . 1 . 2]" 1
61 1 16 LEU MD1 2 8 ARG HB2 7.210 . 7.710 5.093 2.347 6.057 . 0 0 "[ . 1 . 2]" 1
62 1 16 LEU MD1 2 8 ARG HD2 7.210 . 7.710 3.707 2.314 5.647 . 0 0 "[ . 1 . 2]" 1
63 1 16 LEU MD1 2 8 ARG HG2 7.210 . 7.710 3.506 2.137 5.233 . 0 0 "[ . 1 . 2]" 1
64 1 16 LEU MD2 1 17 VAL H 6.520 . 7.020 3.774 2.005 5.158 . 0 0 "[ . 1 . 2]" 1
65 1 16 LEU MD2 1 18 TRP HD1 5.610 . 6.110 3.504 2.466 4.641 . 0 0 "[ . 1 . 2]" 1
66 1 16 LEU MD2 1 18 TRP HE1 6.100 . 6.600 2.358 1.928 3.152 . 0 0 "[ . 1 . 2]" 1
67 1 16 LEU MD2 1 18 TRP HZ2 5.690 . 6.190 3.091 2.369 3.977 . 0 0 "[ . 1 . 2]" 1
68 1 16 LEU MD2 1 31 ARG HD2 5.520 . 6.020 3.083 2.346 4.612 . 0 0 "[ . 1 . 2]" 1
69 1 16 LEU MD2 1 31 ARG HD3 5.520 . 6.020 3.876 2.537 4.642 . 0 0 "[ . 1 . 2]" 1
70 1 16 LEU MD2 2 8 ARG HB2 7.210 . 7.710 5.145 3.947 6.125 . 0 0 "[ . 1 . 2]" 1
71 1 16 LEU MD2 2 8 ARG HD2 7.210 . 7.710 4.104 2.217 6.033 . 0 0 "[ . 1 . 2]" 1
72 1 16 LEU MD2 2 8 ARG HG2 7.210 . 7.710 3.482 2.065 5.413 . 0 0 "[ . 1 . 2]" 1
73 1 16 LEU QD 1 17 VAL H 5.580 . 6.080 2.457 1.955 3.795 . 0 0 "[ . 1 . 2]" 1
74 1 16 LEU QD 1 18 TRP HB3 7.330 . 7.830 5.145 4.296 5.496 . 0 0 "[ . 1 . 2]" 1
75 1 16 LEU QD 1 18 TRP HD1 5.490 . 5.990 3.272 2.451 3.945 . 0 0 "[ . 1 . 2]" 1
76 1 16 LEU QD 1 18 TRP HE1 6.010 . 6.510 2.156 1.891 2.524 . 0 0 "[ . 1 . 2]" 1
77 1 16 LEU QD 1 18 TRP HE3 7.330 . 7.830 4.960 4.195 5.389 . 0 0 "[ . 1 . 2]" 1
78 1 16 LEU QD 1 18 TRP HH2 6.820 . 7.320 4.203 3.807 4.878 . 0 0 "[ . 1 . 2]" 1
79 1 16 LEU QD 1 18 TRP HZ2 5.420 . 5.920 2.680 2.363 3.364 . 0 0 "[ . 1 . 2]" 1
80 1 16 LEU QD 1 31 ARG QB 5.930 . 6.430 2.961 1.976 3.834 . 0 0 "[ . 1 . 2]" 1
81 1 16 LEU QD 1 31 ARG QD 5.430 . 5.930 2.324 1.999 3.098 . 0 0 "[ . 1 . 2]" 1
82 1 16 LEU QD 1 31 ARG QG 5.540 . 6.040 2.342 1.945 3.677 . 0 0 "[ . 1 . 2]" 1
83 1 16 LEU QD 1 65 TRP HE3 7.330 . 7.830 5.131 4.100 5.452 . 0 0 "[ . 1 . 2]" 1
84 1 16 LEU QD 2 8 ARG HA 5.820 . 6.320 3.899 2.084 4.344 . 0 0 "[ . 1 . 2]" 1
85 1 16 LEU QD 2 8 ARG H 6.870 . 7.370 4.171 2.800 5.109 . 0 0 "[ . 1 . 2]" 1
86 1 16 LEU QD 2 8 ARG QB 7.340 . 7.840 3.701 2.041 4.369 . 0 0 "[ . 1 . 2]" 1
87 1 16 LEU QD 2 8 ARG QG 5.890 . 6.390 2.292 1.988 3.067 . 0 0 "[ . 1 . 2]" 1
88 1 16 LEU QD 2 9 LYS H 7.330 . 7.830 5.275 4.525 5.492 . 0 0 "[ . 1 . 2]" 1
89 1 17 VAL HB 1 32 LEU HB2 3.790 . 4.290 2.381 2.333 2.450 . 0 0 "[ . 1 . 2]" 1
90 1 17 VAL HB 1 32 LEU HB3 3.970 . 4.470 3.797 3.684 3.891 . 0 0 "[ . 1 . 2]" 1
91 1 17 VAL HB 1 32 LEU H 4.920 . 5.420 3.932 3.674 4.215 . 0 0 "[ . 1 . 2]" 1
92 1 17 VAL HB 1 32 LEU MD1 4.550 . 5.050 3.037 2.733 3.283 . 0 0 "[ . 1 . 2]" 1
93 1 17 VAL H 1 17 VAL HB 3.680 . 4.180 2.597 2.510 2.775 . 0 0 "[ . 1 . 2]" 1
94 1 17 VAL H 1 17 VAL MG2 4.280 . 4.780 2.517 2.304 2.936 . 0 0 "[ . 1 . 2]" 1
95 1 17 VAL H 1 32 LEU HB2 4.540 . 5.040 3.905 3.620 4.061 . 0 0 "[ . 1 . 2]" 1
96 1 17 VAL MG1 1 18 TRP HA 5.570 . 6.070 3.685 3.549 3.853 . 0 0 "[ . 1 . 2]" 1
97 1 17 VAL MG1 1 18 TRP HD1 6.300 . 6.800 4.978 4.798 5.226 . 0 0 "[ . 1 . 2]" 1
98 1 17 VAL MG1 1 18 TRP H 5.510 . 6.010 2.558 2.461 2.774 . 0 0 "[ . 1 . 2]" 1
99 1 17 VAL MG1 1 19 VAL MG1 6.370 . 6.870 2.886 2.685 3.119 . 0 0 "[ . 1 . 2]" 1
100 1 17 VAL MG1 1 19 VAL MG2 6.890 . 7.390 3.934 3.763 4.068 . 0 0 "[ . 1 . 2]" 1
101 1 17 VAL MG1 1 32 LEU HB2 4.920 . 5.420 3.229 2.995 3.447 . 0 0 "[ . 1 . 2]" 1
102 1 17 VAL MG1 1 32 LEU HG 5.330 . 5.830 3.614 3.316 3.801 . 0 0 "[ . 1 . 2]" 1
103 1 17 VAL MG1 1 32 LEU H 5.920 . 6.420 4.477 4.200 4.862 . 0 0 "[ . 1 . 2]" 1
104 1 17 VAL MG1 1 32 LEU MD1 4.790 . 5.290 2.241 2.181 2.339 . 0 0 "[ . 1 . 2]" 1
105 1 17 VAL MG1 1 38 PRO HB2 5.180 . 5.680 4.053 3.866 4.218 . 0 0 "[ . 1 . 2]" 1
106 1 17 VAL MG1 1 38 PRO HB3 5.180 . 5.680 2.670 2.512 2.847 . 0 0 "[ . 1 . 2]" 1
107 1 17 VAL MG1 1 38 PRO HD2 6.110 . 6.610 3.723 3.597 3.930 . 0 0 "[ . 1 . 2]" 1
108 1 17 VAL MG1 1 38 PRO HD3 5.310 . 5.810 2.217 2.110 2.422 . 0 0 "[ . 1 . 2]" 1
109 1 17 VAL MG1 1 38 PRO HG2 5.030 . 5.530 4.135 3.953 4.199 . 0 0 "[ . 1 . 2]" 1
110 1 17 VAL MG1 1 38 PRO HG3 4.900 . 5.400 2.814 2.579 2.945 . 0 0 "[ . 1 . 2]" 1
111 1 17 VAL MG1 2 3 THR HB 4.780 . 5.280 3.762 3.498 3.998 . 0 0 "[ . 1 . 2]" 1
112 1 17 VAL MG1 2 4 . H 5.420 . 5.920 3.770 3.551 4.027 . 0 0 "[ . 1 . 2]" 1
113 1 17 VAL MG1 2 5 GLN HA 6.300 . 6.800 4.151 3.926 4.415 . 0 0 "[ . 1 . 2]" 1
114 1 17 VAL MG1 2 5 GLN QG 5.760 . 6.260 2.933 2.603 3.190 . 0 0 "[ . 1 . 2]" 1
115 1 17 VAL MG2 1 18 TRP H 5.980 . 6.480 4.034 3.943 4.117 . 0 0 "[ . 1 . 2]" 1
116 1 17 VAL MG2 1 32 LEU HB2 4.780 . 5.280 3.977 3.921 4.004 . 0 0 "[ . 1 . 2]" 1
117 1 17 VAL MG2 1 32 LEU H 6.360 . 6.860 5.186 4.961 5.307 . 0 0 "[ . 1 . 2]" 1
118 1 17 VAL MG2 1 32 LEU MD1 5.810 . 6.310 3.923 3.622 4.047 . 0 0 "[ . 1 . 2]" 1
119 1 17 VAL MG2 1 38 PRO HB3 5.600 . 6.100 4.354 4.127 4.623 . 0 0 "[ . 1 . 2]" 1
120 1 17 VAL MG2 1 38 PRO HD2 5.340 . 5.840 3.480 3.212 3.881 . 0 0 "[ . 1 . 2]" 1
121 1 17 VAL MG2 1 38 PRO HD3 5.220 . 5.720 2.437 2.185 2.800 . 0 0 "[ . 1 . 2]" 1
122 1 17 VAL MG2 2 5 GLN HA 5.840 . 6.340 4.032 3.836 4.208 . 0 0 "[ . 1 . 2]" 1
123 1 17 VAL MG2 2 5 GLN HB2 6.000 . 6.500 4.920 4.754 5.003 . 0 0 "[ . 1 . 2]" 1
124 1 17 VAL MG2 2 5 GLN HB3 6.000 . 6.500 4.116 3.822 4.322 . 0 0 "[ . 1 . 2]" 1
125 1 17 VAL MG2 2 5 GLN HE21 6.380 . 6.880 3.249 1.987 5.082 . 0 0 "[ . 1 . 2]" 1
126 1 17 VAL MG2 2 5 GLN HE22 6.380 . 6.880 3.833 3.054 4.768 . 0 0 "[ . 1 . 2]" 1
127 1 17 VAL MG2 2 5 GLN QB 6.430 . 6.930 3.917 3.673 4.055 . 0 0 "[ . 1 . 2]" 1
128 1 17 VAL MG2 2 5 GLN QE 6.230 . 6.730 3.016 1.973 4.372 . 0 0 "[ . 1 . 2]" 1
129 1 17 VAL MG2 2 5 GLN QG 5.070 . 5.570 2.252 2.149 2.416 . 0 0 "[ . 1 . 2]" 1
130 1 18 TRP HA 1 18 TRP HD1 4.660 . 5.160 4.043 3.968 4.195 . 0 0 "[ . 1 . 2]" 1
131 1 18 TRP HA 1 18 TRP HE3 4.260 . 4.760 3.564 3.379 3.795 . 0 0 "[ . 1 . 2]" 1
132 1 18 TRP HA 1 19 VAL H 3.190 . 3.690 2.190 2.156 2.241 . 0 0 "[ . 1 . 2]" 1
133 1 18 TRP HA 1 19 VAL MG1 5.730 . 6.230 4.110 3.963 4.211 . 0 0 "[ . 1 . 2]" 1
134 1 18 TRP HA 1 19 VAL MG2 5.920 . 6.420 3.246 3.100 3.369 . 0 0 "[ . 1 . 2]" 1
135 1 18 TRP HA 1 29 TRP HE3 4.840 . 5.340 4.147 4.002 4.239 . 0 0 "[ . 1 . 2]" 1
136 1 18 TRP HA 1 30 ARG H 4.960 . 5.460 4.594 4.369 4.973 . 0 0 "[ . 1 . 2]" 1
137 1 18 TRP HA 1 31 ARG HA 3.510 . 4.010 2.739 2.312 2.922 . 0 0 "[ . 1 . 2]" 1
138 1 18 TRP HA 1 32 LEU HG 4.280 . 4.780 3.492 3.212 3.709 . 0 0 "[ . 1 . 2]" 1
139 1 18 TRP HA 1 32 LEU H 3.820 . 4.320 3.541 3.257 3.829 . 0 0 "[ . 1 . 2]" 1
140 1 18 TRP HA 1 32 LEU MD2 5.940 . 6.440 4.834 4.594 4.967 . 0 0 "[ . 1 . 2]" 1
141 1 18 TRP HB2 1 19 VAL H 4.890 . 5.390 3.979 3.825 4.137 . 0 0 "[ . 1 . 2]" 1
142 1 18 TRP HB2 1 29 TRP HE3 4.020 . 4.520 3.070 2.854 3.261 . 0 0 "[ . 1 . 2]" 1
143 1 18 TRP HB2 2 4 . HB3 5.170 . 5.670 4.744 4.647 4.885 . 0 0 "[ . 1 . 2]" 1
144 1 18 TRP HB2 2 4 . HE3 5.050 . 5.550 2.366 2.127 2.609 . 0 0 "[ . 1 . 2]" 1
145 1 18 TRP HB2 2 4 . HG2 4.760 . 5.260 2.468 2.385 2.655 . 0 0 "[ . 1 . 2]" 1
146 1 18 TRP HB2 2 4 . HG3 4.760 . 5.260 2.183 2.120 2.234 . 0 0 "[ . 1 . 2]" 1
147 1 18 TRP HB2 2 4 . H 5.480 . 5.980 3.620 3.371 3.852 . 0 0 "[ . 1 . 2]" 1
148 1 18 TRP HB2 2 4 . HG2 4.590 . 5.090 2.044 1.986 2.084 . 0 0 "[ . 1 . 2]" 1
149 1 18 TRP HB2 2 4 . HM11 7.930 . 8.430 3.445 3.259 3.628 . 0 0 "[ . 1 . 2]" 1
150 1 18 TRP HB3 1 18 TRP HE3 3.770 . 4.270 2.575 2.459 2.628 . 0 0 "[ . 1 . 2]" 1
151 1 18 TRP HB3 1 19 VAL H 4.310 . 4.810 2.880 2.685 3.081 . 0 0 "[ . 1 . 2]" 1
152 1 18 TRP HB3 1 29 TRP HE3 3.660 . 4.160 2.303 2.159 2.495 . 0 0 "[ . 1 . 2]" 1
153 1 18 TRP HB3 1 30 ARG H 4.880 . 5.380 4.270 3.935 4.891 . 0 0 "[ . 1 . 2]" 1
154 1 18 TRP HB3 2 4 . HE2 4.730 . 5.230 4.121 3.697 4.415 . 0 0 "[ . 1 . 2]" 1
155 1 18 TRP HB3 2 4 . HG2 4.730 . 5.230 4.070 3.915 4.351 . 0 0 "[ . 1 . 2]" 1
156 1 18 TRP HB3 2 4 . HG3 4.730 . 5.230 3.340 3.210 3.536 . 0 0 "[ . 1 . 2]" 1
157 1 18 TRP HB3 2 4 . H 5.000 . 5.500 4.704 4.533 4.952 . 0 0 "[ . 1 . 2]" 1
158 1 18 TRP HB3 2 4 . HG2 4.580 . 5.080 3.194 3.077 3.390 . 0 0 "[ . 1 . 2]" 1
159 1 18 TRP HB3 2 4 . HM11 7.360 . 7.860 3.310 3.229 3.467 . 0 0 "[ . 1 . 2]" 1
160 1 18 TRP HD1 2 4 . HE2 4.140 . 4.640 3.284 2.652 3.846 . 0 0 "[ . 1 . 2]" 1
161 1 18 TRP HD1 2 4 . HE3 5.010 . 5.510 3.767 3.371 4.228 . 0 0 "[ . 1 . 2]" 1
162 1 18 TRP HD1 2 4 . HG2 5.500 . 6.000 3.252 2.729 3.556 . 0 0 "[ . 1 . 2]" 1
163 1 18 TRP HD1 2 4 . HG3 5.500 . 6.000 4.283 3.909 4.495 . 0 0 "[ . 1 . 2]" 1
164 1 18 TRP HD1 2 4 . H 6.000 . 6.500 5.484 5.106 5.873 . 0 0 "[ . 1 . 2]" 1
165 1 18 TRP HD1 2 4 . HG2 5.170 . 5.670 3.157 2.679 3.427 . 0 0 "[ . 1 . 2]" 1
166 1 18 TRP HD1 2 4 . HM11 7.280 . 7.780 3.718 3.317 4.153 . 0 0 "[ . 1 . 2]" 1
167 1 18 TRP HD1 2 5 GLN HA 5.210 . 5.710 3.105 2.633 3.691 . 0 0 "[ . 1 . 2]" 1
168 1 18 TRP HD1 2 6 THR HA 5.500 . 6.000 5.149 4.665 5.509 . 0 0 "[ . 1 . 2]" 1
169 1 18 TRP HD1 2 6 THR H 5.320 . 5.820 3.166 2.320 3.653 . 0 0 "[ . 1 . 2]" 1
170 1 18 TRP HE1 2 6 THR MG 6.000 . 6.500 2.649 1.791 4.822 0.009 17 0 "[ . 1 . 2]" 1
171 1 18 TRP HE3 1 19 VAL H 5.110 . 5.610 3.795 3.559 3.941 . 0 0 "[ . 1 . 2]" 1
172 1 18 TRP HE3 1 29 TRP HA 5.010 . 5.510 3.970 3.808 4.213 . 0 0 "[ . 1 . 2]" 1
173 1 18 TRP HE3 1 29 TRP HB2 3.910 . 4.410 3.349 3.259 3.445 . 0 0 "[ . 1 . 2]" 1
174 1 18 TRP HE3 1 29 TRP HB3 4.000 . 4.500 2.377 2.214 2.590 . 0 0 "[ . 1 . 2]" 1
175 1 18 TRP HE3 1 29 TRP H 5.000 . 5.500 5.059 5.025 5.087 . 0 0 "[ . 1 . 2]" 1
176 1 18 TRP HE3 1 30 ARG HA 5.120 . 5.620 3.444 3.182 3.869 . 0 0 "[ . 1 . 2]" 1
177 1 18 TRP HE3 1 30 ARG H 4.980 . 5.480 3.598 3.222 4.312 . 0 0 "[ . 1 . 2]" 1
178 1 18 TRP HE3 1 31 ARG HA 4.930 . 5.430 3.598 3.276 3.916 . 0 0 "[ . 1 . 2]" 1
179 1 18 TRP HE3 1 31 ARG QG 5.990 . 6.490 4.150 3.322 5.013 . 0 0 "[ . 1 . 2]" 1
180 1 18 TRP HE3 2 4 . HE3 5.500 . 6.000 4.288 4.109 4.440 . 0 0 "[ . 1 . 2]" 1
181 1 18 TRP HE3 2 4 . HG2 6.010 . 6.510 5.326 5.208 5.378 . 0 0 "[ . 1 . 2]" 1
182 1 18 TRP HE3 2 4 . HM11 7.110 . 7.610 3.466 3.269 3.732 . 0 0 "[ . 1 . 2]" 1
183 1 18 TRP HH2 1 31 ARG HA 5.500 . 6.000 5.326 5.103 5.541 . 0 0 "[ . 1 . 2]" 1
184 1 18 TRP HH2 1 31 ARG HB2 5.500 . 6.000 4.233 3.052 5.330 . 0 0 "[ . 1 . 2]" 1
185 1 18 TRP HH2 1 31 ARG HB3 5.500 . 6.000 4.836 3.293 5.570 . 0 0 "[ . 1 . 2]" 1
186 1 18 TRP HH2 1 31 ARG HG2 5.500 . 6.000 4.498 3.402 5.511 . 0 0 "[ . 1 . 2]" 1
187 1 18 TRP HH2 1 31 ARG HG3 5.500 . 6.000 3.818 2.867 5.529 . 0 0 "[ . 1 . 2]" 1
188 1 18 TRP HH2 1 31 ARG QD 4.800 . 5.300 3.357 2.295 4.302 . 0 0 "[ . 1 . 2]" 1
189 1 18 TRP HH2 1 63 GLU QB 4.920 . 5.420 3.503 2.879 4.368 . 0 0 "[ . 1 . 2]" 1
190 1 18 TRP HH2 1 63 GLU QG 5.150 . 5.650 3.639 2.432 4.602 . 0 0 "[ . 1 . 2]" 1
191 1 18 TRP HH2 1 65 TRP QB 4.910 . 5.410 2.509 2.257 2.978 . 0 0 "[ . 1 . 2]" 1
192 1 18 TRP HH2 2 4 . HM11 7.340 . 7.840 4.462 4.221 4.806 . 0 0 "[ . 1 . 2]" 1
193 1 18 TRP HZ2 1 31 ARG HD2 4.870 . 5.370 4.103 3.094 4.899 . 0 0 "[ . 1 . 2]" 1
194 1 18 TRP HZ2 1 31 ARG HD3 4.870 . 5.370 4.098 2.865 4.908 . 0 0 "[ . 1 . 2]" 1
195 1 18 TRP HZ2 1 31 ARG QD 4.670 . 5.170 3.464 2.819 4.175 . 0 0 "[ . 1 . 2]" 1
196 1 18 TRP HZ2 1 65 TRP HA 5.500 . 6.000 4.890 4.348 5.507 . 0 0 "[ . 1 . 2]" 1
197 1 18 TRP HZ2 1 65 TRP HB2 5.030 . 5.530 3.129 2.607 3.417 . 0 0 "[ . 1 . 2]" 1
198 1 18 TRP HZ2 1 65 TRP HB3 5.030 . 5.530 3.587 3.009 4.317 . 0 0 "[ . 1 . 2]" 1
199 1 18 TRP HZ2 1 65 TRP HE3 5.000 . 5.500 4.267 3.523 5.007 . 0 0 "[ . 1 . 2]" 1
200 1 18 TRP HZ2 1 65 TRP QB 4.840 . 5.340 2.928 2.458 3.281 . 0 0 "[ . 1 . 2]" 1
201 1 18 TRP HZ2 2 4 . HM11 7.020 . 7.520 3.949 3.615 4.304 . 0 0 "[ . 1 . 2]" 1
202 1 18 TRP HZ3 1 29 TRP HB2 4.300 . 4.800 4.171 3.961 4.321 . 0 0 "[ . 1 . 2]" 1
203 1 18 TRP HZ3 1 29 TRP HB3 4.920 . 5.420 4.206 3.988 4.483 . 0 0 "[ . 1 . 2]" 1
204 1 18 TRP HZ3 1 30 ARG HA 4.990 . 5.490 3.212 2.594 3.868 . 0 0 "[ . 1 . 2]" 1
205 1 18 TRP HZ3 1 31 ARG HA 5.500 . 6.000 4.469 4.066 4.731 . 0 0 "[ . 1 . 2]" 1
206 1 18 TRP HZ3 1 31 ARG HB2 5.500 . 6.000 4.014 2.602 5.332 . 0 0 "[ . 1 . 2]" 1
207 1 18 TRP HZ3 1 31 ARG HB3 5.500 . 6.000 4.762 3.388 5.588 . 0 0 "[ . 1 . 2]" 1
208 1 18 TRP HZ3 1 31 ARG HG2 5.500 . 6.000 4.700 3.679 5.610 . 0 0 "[ . 1 . 2]" 1
209 1 18 TRP HZ3 1 31 ARG HG3 5.500 . 6.000 4.031 2.623 5.560 . 0 0 "[ . 1 . 2]" 1
210 1 18 TRP HZ3 1 63 GLU HB2 5.040 . 5.540 4.591 4.142 5.058 . 0 0 "[ . 1 . 2]" 1
211 1 18 TRP HZ3 1 63 GLU HB3 5.040 . 5.540 3.323 2.883 4.497 . 0 0 "[ . 1 . 2]" 1
212 1 18 TRP HZ3 1 63 GLU QB 4.680 . 5.180 3.240 2.832 4.206 . 0 0 "[ . 1 . 2]" 1
213 1 18 TRP HZ3 1 63 GLU QG 5.990 . 6.490 4.463 2.279 5.320 . 0 0 "[ . 1 . 2]" 1
214 1 18 TRP HZ3 2 4 . HM11 7.930 . 8.430 4.236 4.017 4.491 . 0 0 "[ . 1 . 2]" 1
215 1 19 VAL HA 2 1 ALA MB 7.210 . 7.710 4.971 4.819 5.101 . 0 0 "[ . 1 . 2]" 1
216 1 19 VAL HA 2 3 THR MG 6.000 . 6.500 2.911 2.682 3.132 . 0 0 "[ . 1 . 2]" 1
217 1 19 VAL HA 2 4 . H 5.000 . 5.500 3.873 3.722 3.994 . 0 0 "[ . 1 . 2]" 1
218 1 19 VAL HB 1 20 GLN H 4.040 . 4.540 3.204 3.112 3.338 . 0 0 "[ . 1 . 2]" 1
219 1 19 VAL HB 1 29 TRP HE3 5.500 . 6.000 5.394 5.251 5.506 . 0 0 "[ . 1 . 2]" 1
220 1 19 VAL HB 1 32 LEU MD1 5.200 . 5.700 4.067 3.947 4.342 . 0 0 "[ . 1 . 2]" 1
221 1 19 VAL HB 1 32 LEU MD2 5.450 . 5.950 4.498 4.258 4.579 . 0 0 "[ . 1 . 2]" 1
222 1 19 VAL HB 1 41 LEU MD1 5.500 . 6.000 4.151 4.041 4.201 . 0 0 "[ . 1 . 2]" 1
223 1 19 VAL HB 1 41 LEU MD2 6.550 . 7.050 5.472 5.454 5.484 . 0 0 "[ . 1 . 2]" 1
224 1 19 VAL HB 1 45 TRP HD1 5.500 . 6.000 5.182 5.015 5.398 . 0 0 "[ . 1 . 2]" 1
225 1 19 VAL HB 1 45 TRP HZ2 5.500 . 6.000 4.588 4.341 4.710 . 0 0 "[ . 1 . 2]" 1
226 1 19 VAL HB 2 1 ALA MB 7.210 . 7.710 4.275 4.063 4.490 . 0 0 "[ . 1 . 2]" 1
227 1 19 VAL HB 2 3 THR HA 5.330 . 5.830 5.078 4.928 5.197 . 0 0 "[ . 1 . 2]" 1
228 1 19 VAL H 1 29 TRP HA 4.900 . 5.400 3.976 3.808 4.047 . 0 0 "[ . 1 . 2]" 1
229 1 19 VAL H 1 29 TRP HE3 4.990 . 5.490 3.271 3.121 3.388 . 0 0 "[ . 1 . 2]" 1
230 1 19 VAL H 1 30 ARG H 4.160 . 4.660 2.939 2.801 3.268 . 0 0 "[ . 1 . 2]" 1
231 1 19 VAL H 1 31 ARG HA 4.870 . 5.370 4.051 3.737 4.217 . 0 0 "[ . 1 . 2]" 1
232 1 19 VAL H 1 32 LEU HG 5.210 . 5.710 3.724 3.600 3.854 . 0 0 "[ . 1 . 2]" 1
233 1 19 VAL H 1 32 LEU MD1 6.210 . 6.710 4.279 4.135 4.626 . 0 0 "[ . 1 . 2]" 1
234 1 19 VAL MG1 1 20 GLN HA 6.610 . 7.110 5.477 5.449 5.511 . 0 0 "[ . 1 . 2]" 1
235 1 19 VAL MG1 1 20 GLN H 4.420 . 4.920 3.542 3.473 3.616 . 0 0 "[ . 1 . 2]" 1
236 1 19 VAL MG1 1 30 ARG HB2 6.590 . 7.090 5.190 5.008 5.320 . 0 0 "[ . 1 . 2]" 1
237 1 19 VAL MG1 1 32 LEU HB2 6.090 . 6.590 4.582 4.465 4.692 . 0 0 "[ . 1 . 2]" 1
238 1 19 VAL MG1 1 32 LEU HB3 6.000 . 6.500 5.019 5.008 5.035 . 0 0 "[ . 1 . 2]" 1
239 1 19 VAL MG1 1 32 LEU HG 5.690 . 6.190 3.314 3.063 3.452 . 0 0 "[ . 1 . 2]" 1
240 1 19 VAL MG1 1 32 LEU MD1 5.180 . 5.680 2.048 2.009 2.093 . 0 0 "[ . 1 . 2]" 1
241 1 19 VAL MG1 1 32 LEU MD2 5.550 . 6.050 3.306 2.840 3.478 . 0 0 "[ . 1 . 2]" 1
242 1 19 VAL MG1 1 38 PRO HB3 5.800 . 6.300 3.790 3.643 3.982 . 0 0 "[ . 1 . 2]" 1
243 1 19 VAL MG1 1 41 LEU HB2 5.910 . 6.410 3.892 3.783 4.108 . 0 0 "[ . 1 . 2]" 1
244 1 19 VAL MG1 1 41 LEU MD1 5.180 . 5.680 1.967 1.950 1.994 . 0 0 "[ . 1 . 2]" 1
245 1 19 VAL MG1 1 41 LEU MD2 5.740 . 6.240 3.479 3.405 3.555 . 0 0 "[ . 1 . 2]" 1
246 1 19 VAL MG1 1 45 TRP HB2 5.460 . 5.960 4.304 4.075 4.461 . 0 0 "[ . 1 . 2]" 1
247 1 19 VAL MG1 1 45 TRP HB3 4.980 . 5.480 4.059 3.865 4.158 . 0 0 "[ . 1 . 2]" 1
248 1 19 VAL MG1 1 45 TRP HD1 5.680 . 6.180 4.106 3.883 4.308 . 0 0 "[ . 1 . 2]" 1
249 1 19 VAL MG1 1 45 TRP HE3 5.730 . 6.230 4.392 4.273 4.500 . 0 0 "[ . 1 . 2]" 1
250 1 19 VAL MG1 1 45 TRP HH2 6.610 . 7.110 5.274 4.957 5.484 . 0 0 "[ . 1 . 2]" 1
251 1 19 VAL MG1 1 45 TRP HZ2 5.930 . 6.430 4.592 4.251 4.776 . 0 0 "[ . 1 . 2]" 1
252 1 19 VAL MG1 1 45 TRP HZ3 6.610 . 7.110 5.163 4.968 5.340 . 0 0 "[ . 1 . 2]" 1
253 1 19 VAL MG1 2 1 ALA MB 5.740 . 6.240 3.943 3.793 3.999 . 0 0 "[ . 1 . 2]" 1
254 1 19 VAL MG1 2 3 THR HA 6.260 . 6.760 3.459 3.269 3.620 . 0 0 "[ . 1 . 2]" 1
255 1 19 VAL MG1 2 3 THR HB 6.060 . 6.560 4.101 4.058 4.163 . 0 0 "[ . 1 . 2]" 1
256 1 19 VAL MG1 2 3 THR MG 5.110 . 5.610 2.049 2.027 2.082 . 0 0 "[ . 1 . 2]" 1
257 1 19 VAL MG2 1 20 GLN H 6.220 . 6.720 4.261 4.207 4.324 . 0 0 "[ . 1 . 2]" 1
258 1 19 VAL MG2 1 30 ARG HB2 5.740 . 6.240 2.428 2.254 2.564 . 0 0 "[ . 1 . 2]" 1
259 1 19 VAL MG2 1 30 ARG HB3 6.210 . 6.710 3.878 3.707 4.007 . 0 0 "[ . 1 . 2]" 1
260 1 19 VAL MG2 1 32 LEU HB2 6.410 . 6.910 4.253 4.140 4.387 . 0 0 "[ . 1 . 2]" 1
261 1 19 VAL MG2 1 32 LEU HB3 6.100 . 6.600 4.620 4.573 4.706 . 0 0 "[ . 1 . 2]" 1
262 1 19 VAL MG2 1 32 LEU HG 5.390 . 5.890 2.157 2.120 2.215 . 0 0 "[ . 1 . 2]" 1
263 1 19 VAL MG2 1 32 LEU MD1 5.440 . 5.940 2.377 2.239 2.785 . 0 0 "[ . 1 . 2]" 1
264 1 19 VAL MG2 1 32 LEU MD2 5.240 . 5.740 2.165 2.089 2.215 . 0 0 "[ . 1 . 2]" 1
265 1 19 VAL MG2 1 41 LEU MD2 6.810 . 7.310 4.406 4.347 4.582 . 0 0 "[ . 1 . 2]" 1
266 1 19 VAL MG2 1 45 TRP HE3 6.280 . 6.780 4.003 3.923 4.210 . 0 0 "[ . 1 . 2]" 1
267 1 19 VAL MG2 1 45 TRP HH2 5.600 . 6.100 2.892 2.758 3.006 . 0 0 "[ . 1 . 2]" 1
268 1 19 VAL MG2 1 45 TRP HZ2 5.640 . 6.140 2.724 2.620 2.779 . 0 0 "[ . 1 . 2]" 1
269 1 19 VAL MG2 1 45 TRP HZ3 6.220 . 6.720 3.477 3.409 3.538 . 0 0 "[ . 1 . 2]" 1
270 1 20 GLN HA 1 20 GLN HG2 3.770 . 4.270 3.081 2.994 3.123 . 0 0 "[ . 1 . 2]" 1
271 1 20 GLN HA 1 20 GLN HG3 3.470 . 3.970 2.373 2.322 2.469 . 0 0 "[ . 1 . 2]" 1
272 1 20 GLN HA 1 21 CYS HB2 4.520 . 5.020 4.229 4.177 4.280 . 0 0 "[ . 1 . 2]" 1
273 1 20 GLN HA 1 21 CYS HB3 4.890 . 5.390 4.621 4.586 4.647 . 0 0 "[ . 1 . 2]" 1
274 1 20 GLN HA 1 21 CYS H 3.020 . 3.520 2.131 2.112 2.149 . 0 0 "[ . 1 . 2]" 1
275 1 20 GLN HA 1 29 TRP HA 3.160 . 3.660 2.513 2.446 2.591 . 0 0 "[ . 1 . 2]" 1
276 1 20 GLN HA 1 29 TRP HB3 4.830 . 5.330 4.601 4.530 4.688 . 0 0 "[ . 1 . 2]" 1
277 1 20 GLN HA 1 29 TRP HE3 4.470 . 4.970 3.920 3.798 4.139 . 0 0 "[ . 1 . 2]" 1
278 1 20 GLN HA 1 29 TRP HZ3 5.500 . 6.000 5.037 4.895 5.232 . 0 0 "[ . 1 . 2]" 1
279 1 20 GLN HA 1 30 ARG H 3.970 . 4.470 3.777 3.700 3.862 . 0 0 "[ . 1 . 2]" 1
280 1 20 GLN HB2 2 2 ARG HD2 5.000 . 5.500 4.627 4.142 5.031 . 0 0 "[ . 1 . 2]" 1
281 1 20 GLN HE21 1 27 GLY HA2 4.430 . 4.930 3.031 2.372 3.150 . 0 0 "[ . 1 . 2]" 1
282 1 20 GLN HE21 1 27 GLY HA3 4.540 . 5.040 3.217 3.107 3.466 . 0 0 "[ . 1 . 2]" 1
283 1 20 GLN HE22 1 27 GLY HA2 4.430 . 4.930 4.053 3.839 4.207 . 0 0 "[ . 1 . 2]" 1
284 1 20 GLN HE22 1 27 GLY HA3 4.540 . 5.040 4.159 3.980 4.405 . 0 0 "[ . 1 . 2]" 1
285 1 20 GLN HG2 1 21 CYS H 3.850 . 4.350 3.019 2.895 3.124 . 0 0 "[ . 1 . 2]" 1
286 1 20 GLN HG2 1 27 GLY HA2 3.770 . 4.270 2.646 2.598 2.662 . 0 0 "[ . 1 . 2]" 1
287 1 20 GLN HG2 1 27 GLY HA3 4.230 . 4.730 4.220 4.190 4.259 . 0 0 "[ . 1 . 2]" 1
288 1 20 GLN HG2 1 27 GLY H 4.410 . 4.910 4.404 4.295 4.442 . 0 0 "[ . 1 . 2]" 1
289 1 20 GLN HG2 1 29 TRP HA 5.500 . 6.000 5.277 5.173 5.370 . 0 0 "[ . 1 . 2]" 1
290 1 20 GLN HG2 1 29 TRP HZ2 5.500 . 6.000 5.507 5.481 5.523 . 0 0 "[ . 1 . 2]" 1
291 1 20 GLN HE22 1 20 GLN HG3 3.790 . 4.290 3.549 3.529 3.829 . 0 0 "[ . 1 . 2]" 1
292 1 20 GLN HG3 1 21 CYS HB2 5.290 . 5.790 4.815 4.771 5.033 . 0 0 "[ . 1 . 2]" 1
293 1 20 GLN HG3 1 21 CYS HB3 5.010 . 5.510 4.372 4.322 4.531 . 0 0 "[ . 1 . 2]" 1
294 1 20 GLN HG3 1 21 CYS H 3.910 . 4.410 2.957 2.912 3.160 . 0 0 "[ . 1 . 2]" 1
295 1 20 GLN HG3 1 27 GLY HA2 3.990 . 4.490 3.066 2.989 3.086 . 0 0 "[ . 1 . 2]" 1
296 1 20 GLN HG3 1 27 GLY HA3 4.100 . 4.600 4.135 4.068 4.150 . 0 0 "[ . 1 . 2]" 1
297 1 20 GLN HG3 1 27 GLY H 4.910 . 5.410 4.920 4.911 4.940 . 0 0 "[ . 1 . 2]" 1
298 1 20 GLN HG3 1 28 LYS H 5.120 . 5.620 4.146 4.065 4.336 . 0 0 "[ . 1 . 2]" 1
299 1 20 GLN HG3 1 29 TRP HA 4.370 . 4.870 3.933 3.846 4.143 . 0 0 "[ . 1 . 2]" 1
300 1 20 GLN HG3 1 29 TRP HD1 5.450 . 5.950 4.240 4.001 4.482 . 0 0 "[ . 1 . 2]" 1
301 1 20 GLN HG3 1 29 TRP HZ2 4.980 . 5.480 4.769 4.552 4.855 . 0 0 "[ . 1 . 2]" 1
302 1 20 GLN H 1 20 GLN HG2 5.000 . 5.500 4.548 4.516 4.571 . 0 0 "[ . 1 . 2]" 1
303 1 20 GLN H 1 20 GLN HG3 4.850 . 5.350 4.560 4.522 4.599 . 0 0 "[ . 1 . 2]" 1
304 1 20 GLN H 1 29 TRP HA 5.150 . 5.650 4.561 4.448 4.628 . 0 0 "[ . 1 . 2]" 1
305 1 20 GLN H 1 29 TRP HE3 5.080 . 5.580 3.761 3.629 3.901 . 0 0 "[ . 1 . 2]" 1
306 1 20 GLN H 1 29 TRP HZ3 4.670 . 5.170 3.475 3.318 3.657 . 0 0 "[ . 1 . 2]" 1
307 1 20 GLN H 2 1 ALA MB 6.000 . 6.500 4.142 3.934 4.281 . 0 0 "[ . 1 . 2]" 1
308 1 20 GLN H 2 2 ARG HB3 5.380 . 5.880 4.086 3.486 4.731 . 0 0 "[ . 1 . 2]" 1
309 1 20 GLN H 2 3 THR HA 4.840 . 5.340 3.519 3.403 3.655 . 0 0 "[ . 1 . 2]" 1
310 1 20 GLN H 2 3 THR MG 6.000 . 6.500 3.782 3.630 3.942 . 0 0 "[ . 1 . 2]" 1
311 1 20 GLN QB 1 21 CYS H 4.730 . 5.230 3.717 3.696 3.740 . 0 0 "[ . 1 . 2]" 1
312 1 20 GLN QB 1 29 TRP HA 5.020 . 5.520 3.961 3.853 4.057 . 0 0 "[ . 1 . 2]" 1
313 1 20 GLN QB 1 29 TRP HE3 5.980 . 6.480 3.509 3.393 3.755 . 0 0 "[ . 1 . 2]" 1
314 1 20 GLN QB 1 29 TRP HZ2 5.680 . 6.180 3.416 3.335 3.505 . 0 0 "[ . 1 . 2]" 1
315 1 20 GLN QB 1 29 TRP HZ3 5.990 . 6.490 3.450 3.288 3.684 . 0 0 "[ . 1 . 2]" 1
316 1 20 GLN QB 2 2 ARG HB3 4.250 . 4.750 2.796 2.137 3.542 . 0 0 "[ . 1 . 2]" 1
317 1 20 GLN QE 1 27 GLY HA3 4.290 . 4.790 3.114 3.007 3.345 . 0 0 "[ . 1 . 2]" 1
318 1 20 GLN QE 1 29 TRP HE1 5.380 . 5.880 2.746 2.523 4.475 . 0 0 "[ . 1 . 2]" 1
319 1 20 GLN QE 1 29 TRP HZ2 5.070 . 5.570 3.548 3.354 4.548 . 0 0 "[ . 1 . 2]" 1
320 1 21 CYS HA 1 22 SER H 2.870 . 3.370 2.191 2.150 2.213 . 0 0 "[ . 1 . 2]" 1
321 1 21 CYS HA 1 45 TRP HE3 3.130 . 3.630 2.497 2.450 2.551 . 0 0 "[ . 1 . 2]" 1
322 1 21 CYS HA 1 45 TRP HZ3 3.790 . 4.290 2.619 2.574 2.664 . 0 0 "[ . 1 . 2]" 1
323 1 21 CYS HA 1 46 SER HA 3.190 . 3.690 2.152 2.107 2.182 . 0 0 "[ . 1 . 2]" 1
324 1 21 CYS HA 1 46 SER HB2 4.740 . 5.240 4.256 4.227 4.301 . 0 0 "[ . 1 . 2]" 1
325 1 21 CYS HA 1 46 SER HB3 4.740 . 5.240 4.308 4.264 4.369 . 0 0 "[ . 1 . 2]" 1
326 1 21 CYS HA 1 46 SER H 4.950 . 5.450 4.674 4.611 4.706 . 0 0 "[ . 1 . 2]" 1
327 1 21 CYS HA 1 46 SER QB 4.560 . 5.060 3.815 3.782 3.861 . 0 0 "[ . 1 . 2]" 1
328 1 21 CYS HA 1 47 CYS H 3.890 . 4.390 3.473 3.428 3.517 . 0 0 "[ . 1 . 2]" 1
329 1 21 CYS HB2 1 27 GLY HA2 5.180 . 5.680 4.769 4.750 4.798 . 0 0 "[ . 1 . 2]" 1
330 1 21 CYS HB2 1 27 GLY H 4.130 . 4.630 4.171 4.164 4.176 . 0 0 "[ . 1 . 2]" 1
331 1 21 CYS HB2 1 28 LYS HB2 4.230 . 4.730 2.955 2.853 3.044 . 0 0 "[ . 1 . 2]" 1
332 1 21 CYS HB2 1 28 LYS HG3 4.750 . 5.250 4.670 4.576 4.756 . 0 0 "[ . 1 . 2]" 1
333 1 21 CYS HB2 1 28 LYS H 3.480 . 3.980 3.119 3.047 3.192 . 0 0 "[ . 1 . 2]" 1
334 1 21 CYS HB2 1 45 TRP HE3 4.720 . 5.220 4.589 4.530 4.648 . 0 0 "[ . 1 . 2]" 1
335 1 21 CYS HB2 1 45 TRP HZ3 3.920 . 4.420 3.099 2.988 3.189 . 0 0 "[ . 1 . 2]" 1
336 1 21 CYS HB2 1 46 SER HA 4.210 . 4.710 3.905 3.866 3.943 . 0 0 "[ . 1 . 2]" 1
337 1 21 CYS HB2 1 47 CYS H 3.980 . 4.480 3.458 3.370 3.532 . 0 0 "[ . 1 . 2]" 1
338 1 21 CYS HB3 1 22 SER HA 5.500 . 6.000 5.247 5.213 5.291 . 0 0 "[ . 1 . 2]" 1
339 1 21 CYS HB3 1 23 PHE H 4.200 . 4.700 3.633 3.570 3.717 . 0 0 "[ . 1 . 2]" 1
340 1 21 CYS HB3 1 27 GLY HA2 3.710 . 4.210 3.351 3.311 3.386 . 0 0 "[ . 1 . 2]" 1
341 1 21 CYS HB3 1 27 GLY HA3 4.850 . 5.350 4.580 4.546 4.617 . 0 0 "[ . 1 . 2]" 1
342 1 21 CYS HB3 1 27 GLY H 3.530 . 4.030 2.524 2.510 2.540 . 0 0 "[ . 1 . 2]" 1
343 1 21 CYS HB3 1 28 LYS HB2 4.150 . 4.650 3.724 3.628 3.834 . 0 0 "[ . 1 . 2]" 1
344 1 21 CYS HB3 1 28 LYS HG3 4.920 . 5.420 4.532 4.416 4.636 . 0 0 "[ . 1 . 2]" 1
345 1 21 CYS HB3 1 28 LYS H 3.290 . 3.790 2.566 2.488 2.646 . 0 0 "[ . 1 . 2]" 1
346 1 21 CYS HB3 1 45 TRP HE3 5.500 . 6.000 5.399 5.356 5.459 . 0 0 "[ . 1 . 2]" 1
347 1 21 CYS HB3 1 45 TRP HZ3 5.060 . 5.560 4.539 4.441 4.619 . 0 0 "[ . 1 . 2]" 1
348 1 21 CYS HB3 1 46 SER HA 4.630 . 5.130 4.552 4.524 4.584 . 0 0 "[ . 1 . 2]" 1
349 1 21 CYS HB3 1 47 CYS H 5.180 . 5.680 4.564 4.484 4.621 . 0 0 "[ . 1 . 2]" 1
350 1 21 CYS H 1 21 CYS HB2 3.160 . 3.660 2.187 2.161 2.213 . 0 0 "[ . 1 . 2]" 1
351 1 21 CYS H 1 21 CYS HB3 3.160 . 3.660 2.588 2.568 2.606 . 0 0 "[ . 1 . 2]" 1
352 1 21 CYS H 1 27 GLY HA2 4.710 . 5.210 4.060 4.001 4.083 . 0 0 "[ . 1 . 2]" 1
353 1 21 CYS H 1 27 GLY HA3 5.460 . 5.960 5.456 5.411 5.467 . 0 0 "[ . 1 . 2]" 1
354 1 21 CYS H 1 27 GLY H 5.020 . 5.520 4.587 4.537 4.610 . 0 0 "[ . 1 . 2]" 1
355 1 21 CYS H 1 28 LYS H 3.900 . 4.400 3.553 3.476 3.622 . 0 0 "[ . 1 . 2]" 1
356 1 21 CYS H 1 29 TRP HA 3.930 . 4.430 3.804 3.739 3.896 . 0 0 "[ . 1 . 2]" 1
357 1 21 CYS H 1 45 TRP HE3 4.990 . 5.490 4.106 4.019 4.170 . 0 0 "[ . 1 . 2]" 1
358 1 21 CYS H 1 45 TRP HZ3 4.350 . 4.850 3.063 2.986 3.145 . 0 0 "[ . 1 . 2]" 1
359 1 22 SER HA 1 22 SER HB2 2.900 . 3.400 2.448 2.365 2.474 . 0 0 "[ . 1 . 2]" 1
360 1 22 SER HA 1 22 SER HB3 2.900 . 3.400 2.547 2.386 2.992 . 0 0 "[ . 1 . 2]" 1
361 1 22 SER HA 1 44 ASN HA 4.600 . 5.100 4.632 4.614 4.656 . 0 0 "[ . 1 . 2]" 1
362 1 22 SER HA 1 46 SER QB 5.990 . 6.490 5.126 5.074 5.214 . 0 0 "[ . 1 . 2]" 1
363 1 22 SER HB2 1 23 PHE H 4.540 . 5.040 4.096 3.988 4.334 . 0 0 "[ . 1 . 2]" 1
364 1 22 SER HB2 1 44 ASN HA 3.340 . 3.840 3.051 2.570 3.333 . 0 0 "[ . 1 . 2]" 1
365 1 22 SER HB2 2 1 ALA MB 6.000 . 6.500 4.215 2.881 4.828 . 0 0 "[ . 1 . 2]" 1
366 1 22 SER HB3 1 23 PHE H 4.540 . 5.040 4.027 3.160 4.336 . 0 0 "[ . 1 . 2]" 1
367 1 22 SER HB3 1 44 ASN HA 3.340 . 3.840 2.830 2.584 3.386 . 0 0 "[ . 1 . 2]" 1
368 1 22 SER H 1 22 SER HB2 3.640 . 4.140 3.364 2.526 3.625 . 0 0 "[ . 1 . 2]" 1
369 1 22 SER H 1 22 SER HB3 3.640 . 4.140 2.614 2.414 2.676 . 0 0 "[ . 1 . 2]" 1
370 1 22 SER H 1 22 SER QB 3.510 . 4.010 2.507 2.242 2.600 . 0 0 "[ . 1 . 2]" 1
371 1 22 SER H 1 23 PHE H 3.370 . 3.870 2.807 2.782 2.842 . 0 0 "[ . 1 . 2]" 1
372 1 22 SER H 1 45 TRP HE3 3.700 . 4.200 3.586 3.478 3.648 . 0 0 "[ . 1 . 2]" 1
373 1 22 SER H 1 45 TRP HZ3 4.640 . 5.140 4.665 4.649 4.687 . 0 0 "[ . 1 . 2]" 1
374 1 22 SER H 1 46 SER HA 3.360 . 3.860 2.325 2.293 2.385 . 0 0 "[ . 1 . 2]" 1
375 1 22 SER H 1 46 SER HB2 4.500 . 5.000 3.783 3.712 3.884 . 0 0 "[ . 1 . 2]" 1
376 1 22 SER H 1 46 SER HB3 4.500 . 5.000 3.090 3.028 3.150 . 0 0 "[ . 1 . 2]" 1
377 1 22 SER H 1 46 SER QB 4.290 . 4.790 2.959 2.905 3.020 . 0 0 "[ . 1 . 2]" 1
378 1 22 SER H 1 47 CYS H 4.310 . 4.810 4.342 4.322 4.378 . 0 0 "[ . 1 . 2]" 1
379 1 22 SER QB 1 23 PHE H 4.480 . 4.980 3.552 3.081 3.737 . 0 0 "[ . 1 . 2]" 1
380 1 22 SER QB 1 44 ASN HA 3.280 . 3.780 2.523 2.464 2.583 . 0 0 "[ . 1 . 2]" 1
381 1 22 SER QB 1 44 ASN QB 5.190 . 5.690 3.741 3.643 4.136 . 0 0 "[ . 1 . 2]" 1
382 1 22 SER QB 1 46 SER QB 5.660 . 6.160 3.445 2.869 3.667 . 0 0 "[ . 1 . 2]" 1
383 1 23 PHE HA 1 23 PHE QD 3.720 . 4.220 2.583 2.517 2.627 . 0 0 "[ . 1 . 2]" 1
384 1 23 PHE HA 1 24 PRO HA 4.630 . 5.130 4.441 4.426 4.481 . 0 0 "[ . 1 . 2]" 1
385 1 23 PHE HA 1 24 PRO HB2 5.500 . 6.000 5.574 5.568 5.578 . 0 0 "[ . 1 . 2]" 1
386 1 23 PHE HA 1 24 PRO HB3 4.850 . 5.350 4.771 4.748 4.806 . 0 0 "[ . 1 . 2]" 1
387 1 23 PHE HA 1 24 PRO HD2 2.680 . 3.180 2.221 2.190 2.240 . 0 0 "[ . 1 . 2]" 1
388 1 23 PHE HA 1 24 PRO HD3 2.840 . 3.340 2.259 2.240 2.299 . 0 0 "[ . 1 . 2]" 1
389 1 23 PHE HA 1 24 PRO HG2 4.570 . 5.070 4.406 4.370 4.419 . 0 0 "[ . 1 . 2]" 1
390 1 23 PHE HA 1 24 PRO HG3 4.730 . 5.230 4.423 4.414 4.437 . 0 0 "[ . 1 . 2]" 1
391 1 23 PHE HA 1 26 CYS HB2 4.810 . 5.310 4.827 4.810 4.846 . 0 0 "[ . 1 . 2]" 1
392 1 23 PHE HA 1 26 CYS HB3 5.500 . 6.000 5.358 5.331 5.438 . 0 0 "[ . 1 . 2]" 1
393 1 23 PHE HB2 1 24 PRO HD2 4.070 . 4.570 4.073 4.020 4.084 . 0 0 "[ . 1 . 2]" 1
394 1 23 PHE HB2 1 24 PRO HD3 5.080 . 5.580 4.933 4.926 4.947 . 0 0 "[ . 1 . 2]" 1
395 1 23 PHE HB2 1 25 ASN H 4.610 . 5.110 4.227 3.930 4.355 . 0 0 "[ . 1 . 2]" 1
396 1 23 PHE HB2 1 25 ASN QD 4.710 . 5.210 4.183 4.112 4.221 . 0 0 "[ . 1 . 2]" 1
397 1 23 PHE HB2 1 26 CYS HB2 3.860 . 4.360 2.105 2.084 2.134 . 0 0 "[ . 1 . 2]" 1
398 1 23 PHE HB2 1 26 CYS H 3.560 . 4.060 3.260 3.094 3.358 . 0 0 "[ . 1 . 2]" 1
399 1 23 PHE HB2 1 27 GLY H 4.060 . 4.560 3.911 3.866 3.957 . 0 0 "[ . 1 . 2]" 1
400 1 23 PHE HB3 1 24 PRO HD2 3.950 . 4.450 2.621 2.567 2.634 . 0 0 "[ . 1 . 2]" 1
401 1 23 PHE HB3 1 24 PRO HD3 3.910 . 4.410 3.939 3.930 3.952 . 0 0 "[ . 1 . 2]" 1
402 1 23 PHE HB3 1 25 ASN H 3.790 . 4.290 2.961 2.703 3.083 . 0 0 "[ . 1 . 2]" 1
403 1 23 PHE HB3 1 26 CYS HB2 3.850 . 4.350 3.136 3.086 3.292 . 0 0 "[ . 1 . 2]" 1
404 1 23 PHE HB3 1 26 CYS H 4.210 . 4.710 3.217 3.160 3.266 . 0 0 "[ . 1 . 2]" 1
405 1 23 PHE H 1 23 PHE HB2 3.060 . 3.560 2.403 2.368 2.485 . 0 0 "[ . 1 . 2]" 1
406 1 23 PHE H 1 23 PHE HB3 3.640 . 4.140 3.600 3.583 3.641 . 0 0 "[ . 1 . 2]" 1
407 1 23 PHE H 1 23 PHE QD 4.620 . 5.120 2.784 2.740 2.849 . 0 0 "[ . 1 . 2]" 1
408 1 23 PHE H 1 23 PHE QE 5.160 . 5.660 4.617 4.608 4.622 . 0 0 "[ . 1 . 2]" 1
409 1 23 PHE H 1 24 PRO HD2 4.860 . 5.360 4.892 4.878 4.897 . 0 0 "[ . 1 . 2]" 1
410 1 23 PHE H 1 24 PRO HD3 5.170 . 5.670 4.909 4.888 4.947 . 0 0 "[ . 1 . 2]" 1
411 1 23 PHE H 1 26 CYS HB2 4.300 . 4.800 3.920 3.845 3.997 . 0 0 "[ . 1 . 2]" 1
412 1 23 PHE H 1 26 CYS HB3 4.220 . 4.720 3.787 3.740 3.880 . 0 0 "[ . 1 . 2]" 1
413 1 23 PHE H 1 26 CYS H 4.950 . 5.450 4.800 4.697 4.902 . 0 0 "[ . 1 . 2]" 1
414 1 23 PHE H 1 27 GLY H 5.370 . 5.870 4.198 4.147 4.312 . 0 0 "[ . 1 . 2]" 1
415 1 23 PHE H 1 46 SER HA 4.260 . 4.760 4.237 4.185 4.266 . 0 0 "[ . 1 . 2]" 1
416 1 23 PHE H 1 46 SER HB2 4.860 . 5.360 4.308 4.209 4.364 . 0 0 "[ . 1 . 2]" 1
417 1 23 PHE H 1 46 SER HB3 4.860 . 5.360 4.181 4.002 4.295 . 0 0 "[ . 1 . 2]" 1
418 1 23 PHE H 1 46 SER QB 4.690 . 5.190 3.778 3.649 3.854 . 0 0 "[ . 1 . 2]" 1
419 1 23 PHE HZ 1 46 SER HB2 5.500 . 6.000 5.343 5.249 5.397 . 0 0 "[ . 1 . 2]" 1
420 1 23 PHE HZ 1 46 SER HB3 5.500 . 6.000 5.274 5.154 5.380 . 0 0 "[ . 1 . 2]" 1
421 1 23 PHE QD 1 24 PRO HD2 4.400 . 4.900 2.740 2.718 2.792 . 0 0 "[ . 1 . 2]" 1
422 1 23 PHE QD 1 24 PRO HD3 4.360 . 4.860 3.778 3.709 3.850 . 0 0 "[ . 1 . 2]" 1
423 1 23 PHE QD 1 24 PRO HG2 5.370 . 5.870 4.806 4.801 4.811 . 0 0 "[ . 1 . 2]" 1
424 1 23 PHE QD 1 26 CYS HB2 5.150 . 5.650 3.691 3.586 3.795 . 0 0 "[ . 1 . 2]" 1
425 1 23 PHE QD 1 46 SER HA 5.310 . 5.810 4.464 4.392 4.537 . 0 0 "[ . 1 . 2]" 1
426 1 23 PHE QD 1 46 SER HB2 4.600 . 5.100 3.038 2.902 3.136 . 0 0 "[ . 1 . 2]" 1
427 1 23 PHE QD 1 46 SER HB3 4.600 . 5.100 3.764 3.567 3.893 . 0 0 "[ . 1 . 2]" 1
428 1 23 PHE QD 1 46 SER QB 4.110 . 4.610 2.917 2.782 3.012 . 0 0 "[ . 1 . 2]" 1
429 1 23 PHE QD 1 47 CYS H 4.740 . 5.240 4.213 4.175 4.229 . 0 0 "[ . 1 . 2]" 1
430 1 23 PHE QD 1 48 ASP H 6.170 . 6.670 5.475 5.354 5.509 . 0 0 "[ . 1 . 2]" 1
431 1 23 PHE QE 1 58 CYS HB3 6.170 . 6.670 5.519 5.505 5.523 . 0 0 "[ . 1 . 2]" 1
432 1 24 PRO HA 1 25 ASN HA 5.080 . 5.580 4.816 4.805 4.896 . 0 0 "[ . 1 . 2]" 1
433 1 24 PRO HA 1 26 CYS H 4.060 . 4.560 3.697 3.665 3.737 . 0 0 "[ . 1 . 2]" 1
434 1 24 PRO HA 1 27 GLY HA3 4.590 . 5.090 4.601 4.593 4.609 . 0 0 "[ . 1 . 2]" 1
435 1 24 PRO HA 1 27 GLY H 4.890 . 5.390 4.106 4.058 4.151 . 0 0 "[ . 1 . 2]" 1
436 1 24 PRO HB2 1 25 ASN HA 4.920 . 5.420 4.414 4.394 4.458 . 0 0 "[ . 1 . 2]" 1
437 1 24 PRO HB2 1 25 ASN H 3.820 . 4.320 3.433 3.402 3.502 . 0 0 "[ . 1 . 2]" 1
438 1 24 PRO HB3 1 25 ASN H 4.110 . 4.610 4.147 4.141 4.154 . 0 0 "[ . 1 . 2]" 1
439 1 24 PRO HD2 1 25 ASN H 4.150 . 4.650 2.555 2.438 2.593 . 0 0 "[ . 1 . 2]" 1
440 1 24 PRO HD2 1 26 CYS HB2 5.500 . 6.000 5.384 5.319 5.464 . 0 0 "[ . 1 . 2]" 1
441 1 24 PRO HD2 1 26 CYS H 4.330 . 4.830 4.341 4.334 4.364 . 0 0 "[ . 1 . 2]" 1
442 1 24 PRO HD3 1 25 ASN H 3.880 . 4.380 3.787 3.714 3.813 . 0 0 "[ . 1 . 2]" 1
443 1 24 PRO HG2 1 25 ASN H 3.680 . 4.180 2.291 2.252 2.328 . 0 0 "[ . 1 . 2]" 1
444 1 24 PRO HG2 1 25 ASN QB 5.990 . 6.490 3.543 3.471 4.259 . 0 0 "[ . 1 . 2]" 1
445 1 24 PRO HG2 1 26 CYS H 4.820 . 5.320 4.784 4.749 4.829 . 0 0 "[ . 1 . 2]" 1
446 1 25 ASN HA 1 25 ASN HB2 3.000 . 3.500 2.479 2.437 3.030 . 0 0 "[ . 1 . 2]" 1
447 1 25 ASN HA 1 25 ASN HB3 3.000 . 3.500 2.430 2.413 2.451 . 0 0 "[ . 1 . 2]" 1
448 1 25 ASN HA 1 26 CYS H 3.530 . 4.030 3.342 3.317 3.411 . 0 0 "[ . 1 . 2]" 1
449 1 25 ASN HB2 1 26 CYS H 4.620 . 5.120 4.243 3.221 4.314 . 0 0 "[ . 1 . 2]" 1
450 1 25 ASN HB3 1 26 CYS H 4.620 . 5.120 4.378 4.201 4.399 . 0 0 "[ . 1 . 2]" 1
451 1 25 ASN H 1 25 ASN HB2 3.670 . 4.170 3.550 2.601 3.608 . 0 0 "[ . 1 . 2]" 1
452 1 25 ASN H 1 25 ASN HB3 3.670 . 4.170 2.679 2.592 3.583 . 0 0 "[ . 1 . 2]" 1
453 1 25 ASN H 1 25 ASN HD21 4.610 . 5.110 3.497 2.712 4.403 . 0 0 "[ . 1 . 2]" 1
454 1 25 ASN H 1 25 ASN HD22 4.610 . 5.110 3.818 3.392 4.315 . 0 0 "[ . 1 . 2]" 1
455 1 25 ASN H 1 25 ASN QD 4.420 . 4.920 3.202 2.609 3.882 . 0 0 "[ . 1 . 2]" 1
456 1 25 ASN H 1 26 CYS H 3.020 . 3.520 2.650 2.620 2.677 . 0 0 "[ . 1 . 2]" 1
457 1 25 ASN H 1 27 GLY H 5.020 . 5.520 5.026 5.010 5.038 . 0 0 "[ . 1 . 2]" 1
458 1 25 ASN QB 1 26 CYS H 4.330 . 4.830 3.830 3.123 3.874 . 0 0 "[ . 1 . 2]" 1
459 1 26 CYS HB2 1 27 GLY HA2 5.500 . 6.000 5.310 5.274 5.332 . 0 0 "[ . 1 . 2]" 1
460 1 26 CYS HB2 1 27 GLY HA3 5.500 . 6.000 5.613 5.603 5.628 . 0 0 "[ . 1 . 2]" 1
461 1 26 CYS HB2 1 27 GLY H 3.180 . 3.680 3.037 3.003 3.064 . 0 0 "[ . 1 . 2]" 1
462 1 26 CYS HB2 1 28 LYS H 4.320 . 4.820 4.235 4.195 4.268 . 0 0 "[ . 1 . 2]" 1
463 1 26 CYS HB3 1 27 GLY HA2 4.200 . 4.700 3.872 3.852 3.889 . 0 0 "[ . 1 . 2]" 1
464 1 26 CYS HB3 1 27 GLY HA3 4.450 . 4.950 4.420 4.405 4.429 . 0 0 "[ . 1 . 2]" 1
465 1 26 CYS HB3 1 27 GLY H 2.920 . 3.420 1.838 1.816 1.858 . 0 0 "[ . 1 . 2]" 1
466 1 26 CYS HB3 1 28 LYS HA 5.430 . 5.930 5.508 5.495 5.514 . 0 0 "[ . 1 . 2]" 1
467 1 26 CYS HB3 1 28 LYS HG3 4.470 . 4.970 3.775 3.680 3.855 . 0 0 "[ . 1 . 2]" 1
468 1 26 CYS HB3 1 28 LYS H 4.090 . 4.590 2.666 2.633 2.677 . 0 0 "[ . 1 . 2]" 1
469 1 26 CYS H 1 26 CYS HB2 3.120 . 3.620 2.423 2.374 2.447 . 0 0 "[ . 1 . 2]" 1
470 1 26 CYS H 1 26 CYS HB3 3.200 . 3.700 2.989 2.957 3.020 . 0 0 "[ . 1 . 2]" 1
471 1 26 CYS H 1 27 GLY HA2 5.150 . 5.650 4.691 4.658 4.730 . 0 0 "[ . 1 . 2]" 1
472 1 26 CYS H 1 27 GLY HA3 4.920 . 5.420 4.527 4.504 4.602 . 0 0 "[ . 1 . 2]" 1
473 1 26 CYS H 1 27 GLY H 3.070 . 3.570 2.689 2.659 2.719 . 0 0 "[ . 1 . 2]" 1
474 1 26 CYS H 1 28 LYS H 5.070 . 5.570 4.819 4.798 4.838 . 0 0 "[ . 1 . 2]" 1
475 1 27 GLY H 1 28 LYS HG3 4.720 . 5.220 4.332 4.252 4.398 . 0 0 "[ . 1 . 2]" 1
476 1 27 GLY H 1 28 LYS H 3.470 . 3.970 2.716 2.702 2.737 . 0 0 "[ . 1 . 2]" 1
477 1 28 LYS HA 1 28 LYS HD3 4.560 . 5.060 4.260 4.211 4.289 . 0 0 "[ . 1 . 2]" 1
478 1 28 LYS HA 1 28 LYS HG2 3.240 . 3.740 2.503 2.418 2.557 . 0 0 "[ . 1 . 2]" 1
479 1 28 LYS HA 1 28 LYS HG3 3.280 . 3.780 3.068 2.998 3.121 . 0 0 "[ . 1 . 2]" 1
480 1 28 LYS HA 1 29 TRP HB2 4.870 . 5.370 4.564 4.500 4.618 . 0 0 "[ . 1 . 2]" 1
481 1 28 LYS HA 1 29 TRP HD1 4.170 . 4.670 3.652 3.521 3.750 . 0 0 "[ . 1 . 2]" 1
482 1 28 LYS HA 1 29 TRP H 2.840 . 3.340 2.253 2.206 2.315 . 0 0 "[ . 1 . 2]" 1
483 1 28 LYS HA 1 62 GLU HB2 4.170 . 4.670 4.030 3.855 4.187 . 0 0 "[ . 1 . 2]" 1
484 1 28 LYS HA 1 62 GLU HG2 4.310 . 4.810 3.703 2.866 4.357 . 0 0 "[ . 1 . 2]" 1
485 1 28 LYS HA 1 62 GLU HG3 4.310 . 4.810 2.830 2.685 2.929 . 0 0 "[ . 1 . 2]" 1
486 1 28 LYS HA 1 62 GLU QG 4.090 . 4.590 2.708 2.543 2.835 . 0 0 "[ . 1 . 2]" 1
487 1 28 LYS HB2 1 28 LYS HD2 3.650 . 4.150 2.430 2.375 2.507 . 0 0 "[ . 1 . 2]" 1
488 1 28 LYS HB2 1 29 TRP HA 5.090 . 5.590 4.977 4.928 5.065 . 0 0 "[ . 1 . 2]" 1
489 1 28 LYS HB2 1 58 CYS HA 5.500 . 6.000 5.048 4.852 5.179 . 0 0 "[ . 1 . 2]" 1
490 1 28 LYS HB3 1 28 LYS HD3 3.320 . 3.820 2.392 2.379 2.416 . 0 0 "[ . 1 . 2]" 1
491 1 28 LYS HB3 1 28 LYS HE2 4.970 . 5.470 4.645 4.632 4.655 . 0 0 "[ . 1 . 2]" 1
492 1 28 LYS HB3 1 28 LYS HE3 4.120 . 4.620 4.210 4.182 4.229 . 0 0 "[ . 1 . 2]" 1
493 1 28 LYS HB3 1 29 TRP HD1 5.490 . 5.990 5.514 5.497 5.537 . 0 0 "[ . 1 . 2]" 1
494 1 28 LYS HB3 1 29 TRP H 3.800 . 4.300 2.935 2.874 3.001 . 0 0 "[ . 1 . 2]" 1
495 1 28 LYS HB3 1 30 ARG HD2 5.220 . 5.720 4.749 4.613 4.851 . 0 0 "[ . 1 . 2]" 1
496 1 28 LYS HB3 1 30 ARG HD3 4.620 . 5.120 3.265 3.144 3.365 . 0 0 "[ . 1 . 2]" 1
497 1 28 LYS HB3 1 62 GLU HA 4.390 . 4.890 3.522 3.290 3.892 . 0 0 "[ . 1 . 2]" 1
498 1 28 LYS HB3 1 62 GLU HB2 4.130 . 4.630 3.718 3.569 3.990 . 0 0 "[ . 1 . 2]" 1
499 1 28 LYS HB3 1 62 GLU HB3 5.050 . 5.550 4.978 4.862 5.065 . 0 0 "[ . 1 . 2]" 1
500 1 28 LYS HB3 1 62 GLU HG2 3.970 . 4.470 3.017 2.099 3.900 . 0 0 "[ . 1 . 2]" 1
501 1 28 LYS HB3 1 62 GLU HG3 3.970 . 4.470 2.855 2.225 3.521 . 0 0 "[ . 1 . 2]" 1
502 1 28 LYS HD2 1 30 ARG HH21 5.150 . 5.650 2.751 2.727 2.770 . 0 0 "[ . 1 . 2]" 1
503 1 28 LYS HD2 1 30 ARG HH22 5.320 . 5.820 2.687 2.620 2.745 . 0 0 "[ . 1 . 2]" 1
504 1 28 LYS HD2 1 58 CYS HA 4.560 . 5.060 3.531 3.383 3.660 . 0 0 "[ . 1 . 2]" 1
505 1 28 LYS HD2 1 60 ILE H 5.040 . 5.540 4.932 4.798 5.046 . 0 0 "[ . 1 . 2]" 1
506 1 28 LYS HD3 1 29 TRP H 5.070 . 5.570 5.099 5.077 5.124 . 0 0 "[ . 1 . 2]" 1
507 1 28 LYS HD3 1 30 ARG HH11 4.340 . 4.840 3.290 3.243 3.321 . 0 0 "[ . 1 . 2]" 1
508 1 28 LYS HD3 1 30 ARG HH12 4.280 . 4.780 2.648 2.596 2.697 . 0 0 "[ . 1 . 2]" 1
509 1 28 LYS HD3 1 30 ARG HH21 5.500 . 6.000 3.608 3.548 3.683 . 0 0 "[ . 1 . 2]" 1
510 1 28 LYS HD3 1 30 ARG HH22 5.500 . 6.000 2.869 2.759 2.991 . 0 0 "[ . 1 . 2]" 1
511 1 28 LYS HD3 1 61 PRO HA 3.690 . 4.190 3.704 3.686 3.717 . 0 0 "[ . 1 . 2]" 1
512 1 28 LYS HD3 1 62 GLU HA 4.190 . 4.690 3.047 2.777 3.302 . 0 0 "[ . 1 . 2]" 1
513 1 28 LYS HD3 1 62 GLU HB3 5.060 . 5.560 4.804 4.706 4.894 . 0 0 "[ . 1 . 2]" 1
514 1 28 LYS HD3 1 62 GLU HG2 4.690 . 5.190 3.949 2.862 4.705 . 0 0 "[ . 1 . 2]" 1
515 1 28 LYS HD3 1 62 GLU HG3 4.690 . 5.190 3.914 3.333 4.562 . 0 0 "[ . 1 . 2]" 1
516 1 28 LYS HD3 1 62 GLU H 3.730 . 4.230 3.442 3.369 3.541 . 0 0 "[ . 1 . 2]" 1
517 1 28 LYS HD3 1 62 GLU QG 4.360 . 4.860 3.263 2.819 3.541 . 0 0 "[ . 1 . 2]" 1
518 1 28 LYS HE2 1 30 ARG HH11 5.500 . 6.000 5.120 5.017 5.208 . 0 0 "[ . 1 . 2]" 1
519 1 28 LYS HE2 1 30 ARG HH12 5.000 . 5.500 3.756 3.655 3.836 . 0 0 "[ . 1 . 2]" 1
520 1 28 LYS HE2 1 60 ILE H 4.960 . 5.460 4.201 4.020 4.334 . 0 0 "[ . 1 . 2]" 1
521 1 28 LYS HE2 1 61 PRO HA 3.300 . 3.800 2.606 2.471 2.756 . 0 0 "[ . 1 . 2]" 1
522 1 28 LYS HE2 1 61 PRO QB 5.490 . 5.990 4.460 4.341 4.587 . 0 0 "[ . 1 . 2]" 1
523 1 28 LYS HE2 1 62 GLU H 3.830 . 4.330 3.785 3.669 3.840 . 0 0 "[ . 1 . 2]" 1
524 1 28 LYS HE3 1 30 ARG HH11 5.500 . 6.000 5.535 5.513 5.556 . 0 0 "[ . 1 . 2]" 1
525 1 28 LYS HE3 1 30 ARG HH12 5.500 . 6.000 4.545 4.513 4.606 . 0 0 "[ . 1 . 2]" 1
526 1 28 LYS HE3 1 61 PRO HA 3.380 . 3.880 2.929 2.797 3.098 . 0 0 "[ . 1 . 2]" 1
527 1 28 LYS HE3 1 62 GLU HB2 4.060 . 4.560 3.316 3.219 3.389 . 0 0 "[ . 1 . 2]" 1
528 1 28 LYS HE3 1 62 GLU HB3 4.950 . 5.450 4.958 4.813 5.007 . 0 0 "[ . 1 . 2]" 1
529 1 28 LYS HE3 1 62 GLU H 3.750 . 4.250 3.088 2.913 3.273 . 0 0 "[ . 1 . 2]" 1
530 1 28 LYS HE2 1 28 LYS HG2 3.700 . 4.200 3.711 3.659 3.724 . 0 0 "[ . 1 . 2]" 1
531 1 28 LYS HE3 1 28 LYS HG2 3.490 . 3.990 2.462 2.380 2.489 . 0 0 "[ . 1 . 2]" 1
532 1 28 LYS HG2 1 29 TRP H 4.460 . 4.960 4.144 4.073 4.225 . 0 0 "[ . 1 . 2]" 1
533 1 28 LYS HG2 1 62 GLU HA 4.810 . 5.310 4.123 3.794 4.626 . 0 0 "[ . 1 . 2]" 1
534 1 28 LYS HG2 1 62 GLU HB2 4.010 . 4.510 2.675 2.447 2.899 . 0 0 "[ . 1 . 2]" 1
535 1 28 LYS HG2 1 62 GLU HB3 4.700 . 5.200 4.348 4.178 4.506 . 0 0 "[ . 1 . 2]" 1
536 1 28 LYS HG2 1 62 GLU HG2 4.400 . 4.900 3.781 2.674 4.454 . 0 0 "[ . 1 . 2]" 1
537 1 28 LYS HG2 1 62 GLU HG3 4.400 . 4.900 3.066 2.846 3.329 . 0 0 "[ . 1 . 2]" 1
538 1 28 LYS HG2 1 62 GLU H 4.360 . 4.860 3.955 3.752 4.184 . 0 0 "[ . 1 . 2]" 1
539 1 28 LYS HG2 1 62 GLU QG 4.280 . 4.780 2.851 2.551 3.000 . 0 0 "[ . 1 . 2]" 1
540 1 28 LYS HE2 1 28 LYS HG3 3.890 . 4.390 3.778 3.762 3.809 . 0 0 "[ . 1 . 2]" 1
541 1 28 LYS HE3 1 28 LYS HG3 3.690 . 4.190 2.979 2.922 3.053 . 0 0 "[ . 1 . 2]" 1
542 1 28 LYS HG3 1 29 TRP H 5.130 . 5.630 5.023 4.965 5.064 . 0 0 "[ . 1 . 2]" 1
543 1 28 LYS HG3 1 62 GLU QG 5.990 . 6.490 4.237 3.924 4.334 . 0 0 "[ . 1 . 2]" 1
544 1 28 LYS H 1 28 LYS HB2 3.030 . 3.530 2.426 2.361 2.476 . 0 0 "[ . 1 . 2]" 1
545 1 28 LYS H 1 28 LYS HB3 3.740 . 4.240 3.582 3.548 3.603 . 0 0 "[ . 1 . 2]" 1
546 1 28 LYS H 1 28 LYS HD2 4.380 . 4.880 4.025 3.967 4.101 . 0 0 "[ . 1 . 2]" 1
547 1 28 LYS H 1 28 LYS HG2 3.730 . 4.230 3.527 3.470 3.610 . 0 0 "[ . 1 . 2]" 1
548 1 28 LYS H 1 28 LYS HG3 3.260 . 3.760 2.341 2.282 2.394 . 0 0 "[ . 1 . 2]" 1
549 1 28 LYS H 1 29 TRP H 4.790 . 5.290 4.662 4.638 4.705 . 0 0 "[ . 1 . 2]" 1
550 1 29 TRP HA 1 29 TRP HE3 3.850 . 4.350 3.220 3.044 3.354 . 0 0 "[ . 1 . 2]" 1
551 1 29 TRP HA 1 30 ARG HB2 4.910 . 5.410 4.842 4.782 4.911 . 0 0 "[ . 1 . 2]" 1
552 1 29 TRP HA 1 30 ARG H 3.070 . 3.570 2.147 2.103 2.186 . 0 0 "[ . 1 . 2]" 1
553 1 29 TRP HA 1 45 TRP HH2 5.500 . 6.000 5.523 5.514 5.532 . 0 0 "[ . 1 . 2]" 1
554 1 29 TRP HB2 1 29 TRP HD1 3.670 . 4.170 2.685 2.667 2.723 . 0 0 "[ . 1 . 2]" 1
555 1 29 TRP HB2 1 29 TRP HE3 4.150 . 4.650 4.159 4.138 4.170 . 0 0 "[ . 1 . 2]" 1
556 1 29 TRP HB2 1 30 ARG H 4.440 . 4.940 4.357 4.293 4.487 . 0 0 "[ . 1 . 2]" 1
557 1 29 TRP HB2 2 4 . HM11 5.490 . 5.990 2.844 2.739 2.921 . 0 0 "[ . 1 . 2]" 1
558 1 29 TRP HB3 1 30 ARG H 4.530 . 5.030 3.492 3.366 3.857 . 0 0 "[ . 1 . 2]" 1
559 1 29 TRP HB3 2 4 . HE2 5.500 . 6.000 5.176 4.896 5.435 . 0 0 "[ . 1 . 2]" 1
560 1 29 TRP HB3 2 4 . HM11 6.760 . 7.260 2.760 2.588 2.897 . 0 0 "[ . 1 . 2]" 1
561 1 29 TRP HD1 2 4 . HM11 5.810 . 6.310 3.173 2.997 3.474 . 0 0 "[ . 1 . 2]" 1
562 1 29 TRP HE1 2 4 . HM11 7.860 . 8.360 3.287 3.031 3.737 . 0 0 "[ . 1 . 2]" 1
563 1 29 TRP HE3 1 30 ARG H 4.660 . 5.160 4.125 3.830 4.664 . 0 0 "[ . 1 . 2]" 1
564 1 29 TRP HE3 2 3 THR HA 5.300 . 5.800 4.346 4.186 4.596 . 0 0 "[ . 1 . 2]" 1
565 1 29 TRP HE3 2 4 . HE2 5.080 . 5.580 5.054 4.846 5.116 . 0 0 "[ . 1 . 2]" 1
566 1 29 TRP HE3 2 4 . HG2 5.400 . 5.900 4.620 4.516 4.755 . 0 0 "[ . 1 . 2]" 1
567 1 29 TRP HE3 2 4 . HG3 5.400 . 5.900 3.098 2.958 3.311 . 0 0 "[ . 1 . 2]" 1
568 1 29 TRP HE3 2 4 . H 6.000 . 6.500 4.246 4.054 4.416 . 0 0 "[ . 1 . 2]" 1
569 1 29 TRP HE3 2 4 . HG2 5.150 . 5.650 3.053 2.921 3.252 . 0 0 "[ . 1 . 2]" 1
570 1 29 TRP HE3 2 4 . HM11 7.010 . 7.510 3.455 3.274 3.634 . 0 0 "[ . 1 . 2]" 1
571 1 29 TRP H 1 29 TRP HB2 3.510 . 4.010 2.450 2.406 2.484 . 0 0 "[ . 1 . 2]" 1
572 1 29 TRP H 1 29 TRP HB3 4.200 . 4.700 3.651 3.613 3.672 . 0 0 "[ . 1 . 2]" 1
573 1 29 TRP H 1 29 TRP HD1 3.820 . 4.320 2.817 2.735 2.933 . 0 0 "[ . 1 . 2]" 1
574 1 29 TRP H 1 30 ARG H 4.840 . 5.340 4.384 4.096 4.476 . 0 0 "[ . 1 . 2]" 1
575 1 29 TRP H 1 62 GLU HB2 4.660 . 5.160 4.568 4.439 4.706 . 0 0 "[ . 1 . 2]" 1
576 1 29 TRP H 1 62 GLU HG2 3.920 . 4.420 2.920 2.325 3.334 . 0 0 "[ . 1 . 2]" 1
577 1 29 TRP H 1 62 GLU HG3 3.920 . 4.420 2.568 2.377 2.831 . 0 0 "[ . 1 . 2]" 1
578 1 29 TRP H 1 62 GLU QG 3.840 . 4.340 2.354 2.190 2.426 . 0 0 "[ . 1 . 2]" 1
579 1 29 TRP HZ2 2 2 ARG HB2 5.000 . 5.500 4.230 3.498 4.872 . 0 0 "[ . 1 . 2]" 1
580 1 29 TRP HZ2 2 2 ARG HB3 5.090 . 5.590 3.609 3.313 3.752 . 0 0 "[ . 1 . 2]" 1
581 1 29 TRP HZ2 2 2 ARG HD2 5.500 . 6.000 3.374 2.533 3.981 . 0 0 "[ . 1 . 2]" 1
582 1 29 TRP HZ2 2 2 ARG HD3 5.500 . 6.000 3.934 2.531 5.546 . 0 0 "[ . 1 . 2]" 1
583 1 29 TRP HZ2 2 2 ARG HG2 5.500 . 6.000 5.150 4.240 5.529 . 0 0 "[ . 1 . 2]" 1
584 1 29 TRP HZ2 2 2 ARG HG3 5.500 . 6.000 5.083 3.896 5.511 . 0 0 "[ . 1 . 2]" 1
585 1 29 TRP HZ2 2 4 . HB2 5.500 . 6.000 4.775 4.601 5.115 . 0 0 "[ . 1 . 2]" 1
586 1 29 TRP HZ2 2 4 . HM11 6.490 . 6.990 3.708 3.421 4.072 . 0 0 "[ . 1 . 2]" 1
587 1 29 TRP HZ3 2 3 THR HA 4.500 . 5.000 2.431 2.310 2.586 . 0 0 "[ . 1 . 2]" 1
588 1 29 TRP HZ3 2 3 THR HB 5.500 . 6.000 4.719 4.569 4.903 . 0 0 "[ . 1 . 2]" 1
589 1 29 TRP HZ3 2 4 . H 5.090 . 5.590 2.575 2.435 2.680 . 0 0 "[ . 1 . 2]" 1
590 1 29 TRP HZ3 2 4 . HG2 5.700 . 6.200 2.481 2.389 2.556 . 0 0 "[ . 1 . 2]" 1
591 1 30 ARG HA 1 30 ARG HD2 3.640 . 4.140 2.934 2.847 3.022 . 0 0 "[ . 1 . 2]" 1
592 1 30 ARG HA 1 30 ARG HD3 3.590 . 4.090 2.563 2.413 2.679 . 0 0 "[ . 1 . 2]" 1
593 1 30 ARG HB2 1 30 ARG HD2 3.860 . 4.360 3.768 3.737 3.803 . 0 0 "[ . 1 . 2]" 1
594 1 30 ARG HB2 1 32 LEU MD2 4.980 . 5.480 3.843 3.658 3.950 . 0 0 "[ . 1 . 2]" 1
595 1 30 ARG HB2 1 45 TRP HH2 3.670 . 4.170 2.289 2.203 2.391 . 0 0 "[ . 1 . 2]" 1
596 1 30 ARG HB2 1 45 TRP HZ2 4.410 . 4.910 3.412 3.274 3.568 . 0 0 "[ . 1 . 2]" 1
597 1 30 ARG HB2 1 45 TRP HZ3 4.830 . 5.330 4.093 4.040 4.139 . 0 0 "[ . 1 . 2]" 1
598 1 30 ARG HB2 1 50 ASN HD21 5.120 . 5.620 5.132 5.114 5.151 . 0 0 "[ . 1 . 2]" 1
599 1 30 ARG HB2 1 50 ASN HD22 5.120 . 5.620 4.253 4.158 4.337 . 0 0 "[ . 1 . 2]" 1
600 1 30 ARG HB2 1 50 ASN QD 4.960 . 5.460 4.058 3.989 4.117 . 0 0 "[ . 1 . 2]" 1
601 1 30 ARG HB3 1 30 ARG HD2 3.800 . 4.300 2.616 2.576 2.652 . 0 0 "[ . 1 . 2]" 1
602 1 30 ARG HB3 1 30 ARG HD3 3.960 . 4.460 3.340 3.301 3.385 . 0 0 "[ . 1 . 2]" 1
603 1 30 ARG HB3 1 32 LEU MD2 5.400 . 5.900 4.374 4.093 4.511 . 0 0 "[ . 1 . 2]" 1
604 1 30 ARG HB3 1 45 TRP HH2 4.130 . 4.630 3.491 3.448 3.541 . 0 0 "[ . 1 . 2]" 1
605 1 30 ARG HB3 1 45 TRP HZ3 5.500 . 6.000 5.509 5.474 5.531 . 0 0 "[ . 1 . 2]" 1
606 1 30 ARG HB3 1 50 ASN HB2 5.500 . 6.000 4.052 3.890 4.208 . 0 0 "[ . 1 . 2]" 1
607 1 30 ARG HB3 1 50 ASN HD21 4.920 . 5.420 3.978 3.927 4.040 . 0 0 "[ . 1 . 2]" 1
608 1 30 ARG HB3 1 50 ASN HD22 4.920 . 5.420 2.936 2.851 3.001 . 0 0 "[ . 1 . 2]" 1
609 1 30 ARG HB3 1 55 TYR HB3 5.500 . 6.000 4.142 4.015 4.250 . 0 0 "[ . 1 . 2]" 1
610 1 30 ARG HD2 1 30 ARG HH22 4.980 . 5.480 4.725 4.711 4.747 . 0 0 "[ . 1 . 2]" 1
611 1 30 ARG HD2 1 45 TRP HH2 4.830 . 5.330 4.586 4.562 4.631 . 0 0 "[ . 1 . 2]" 1
612 1 30 ARG HD2 1 50 ASN QD 4.860 . 5.360 3.940 3.818 4.041 . 0 0 "[ . 1 . 2]" 1
613 1 30 ARG HD2 1 55 TYR HB2 4.020 . 4.520 2.899 2.876 2.922 . 0 0 "[ . 1 . 2]" 1
614 1 30 ARG HD2 1 55 TYR HB3 3.570 . 4.070 2.119 2.083 2.160 . 0 0 "[ . 1 . 2]" 1
615 1 30 ARG HD2 1 55 TYR QD 4.740 . 5.240 3.692 3.667 3.730 . 0 0 "[ . 1 . 2]" 1
616 1 30 ARG HD2 1 55 TYR QE 6.170 . 6.670 5.514 5.499 5.527 . 0 0 "[ . 1 . 2]" 1
617 1 30 ARG HD2 1 60 ILE MG 6.410 . 6.910 5.230 5.163 5.293 . 0 0 "[ . 1 . 2]" 1
618 1 30 ARG HD2 1 62 GLU HA 4.830 . 5.330 4.778 4.681 4.856 . 0 0 "[ . 1 . 2]" 1
619 1 30 ARG HD3 1 30 ARG HH12 4.760 . 5.260 3.932 3.909 3.961 . 0 0 "[ . 1 . 2]" 1
620 1 30 ARG HD3 1 30 ARG HH21 4.450 . 4.950 4.459 4.454 4.462 . 0 0 "[ . 1 . 2]" 1
621 1 30 ARG HD3 1 30 ARG HH22 4.850 . 5.350 4.840 4.817 4.851 . 0 0 "[ . 1 . 2]" 1
622 1 30 ARG HD3 1 45 TRP HH2 4.800 . 5.300 4.681 4.603 4.731 . 0 0 "[ . 1 . 2]" 1
623 1 30 ARG HD3 1 55 TYR HB2 4.570 . 5.070 4.599 4.580 4.615 . 0 0 "[ . 1 . 2]" 1
624 1 30 ARG HD3 1 55 TYR HB3 4.290 . 4.790 3.647 3.625 3.676 . 0 0 "[ . 1 . 2]" 1
625 1 30 ARG HD3 1 55 TYR QD 5.050 . 5.550 4.508 4.465 4.527 . 0 0 "[ . 1 . 2]" 1
626 1 30 ARG HD3 1 62 GLU HA 4.500 . 5.000 3.974 3.824 4.106 . 0 0 "[ . 1 . 2]" 1
627 1 30 ARG HE 1 45 TRP HH2 4.980 . 5.480 3.903 3.808 4.014 . 0 0 "[ . 1 . 2]" 1
628 1 30 ARG HE 1 45 TRP HZ3 5.110 . 5.610 4.567 4.463 4.649 . 0 0 "[ . 1 . 2]" 1
629 1 30 ARG HE 1 30 ARG HG2 4.100 . 4.600 2.546 2.493 2.585 . 0 0 "[ . 1 . 2]" 1
630 1 30 ARG HG2 1 45 TRP HH2 3.840 . 4.340 2.399 2.284 2.469 . 0 0 "[ . 1 . 2]" 1
631 1 30 ARG HG2 1 45 TRP HZ3 4.370 . 4.870 3.134 3.109 3.160 . 0 0 "[ . 1 . 2]" 1
632 1 30 ARG HG2 1 50 ASN HB2 5.500 . 6.000 4.657 4.482 4.767 . 0 0 "[ . 1 . 2]" 1
633 1 30 ARG HE 1 30 ARG HG3 4.100 . 4.600 2.365 2.342 2.398 . 0 0 "[ . 1 . 2]" 1
634 1 30 ARG HG3 1 45 TRP HH2 3.840 . 4.340 2.196 2.145 2.271 . 0 0 "[ . 1 . 2]" 1
635 1 30 ARG HG3 1 45 TRP HZ3 4.370 . 4.870 4.008 3.926 4.098 . 0 0 "[ . 1 . 2]" 1
636 1 30 ARG HG3 1 50 ASN HB2 5.500 . 6.000 3.101 2.977 3.193 . 0 0 "[ . 1 . 2]" 1
637 1 30 ARG HH12 1 55 TYR HB3 4.350 . 4.850 3.520 3.451 3.620 . 0 0 "[ . 1 . 2]" 1
638 1 30 ARG HH12 1 55 TYR QD 5.020 . 5.520 2.461 2.393 2.520 . 0 0 "[ . 1 . 2]" 1
639 1 30 ARG HH12 1 60 ILE HB 4.200 . 4.700 3.423 3.304 3.526 . 0 0 "[ . 1 . 2]" 1
640 1 30 ARG HH12 1 60 ILE MG 5.540 . 6.040 3.106 3.040 3.161 . 0 0 "[ . 1 . 2]" 1
641 1 30 ARG HH22 1 55 TYR HB3 5.320 . 5.820 4.370 4.292 4.466 . 0 0 "[ . 1 . 2]" 1
642 1 30 ARG HH22 1 55 TYR QD 4.610 . 5.110 4.108 4.035 4.126 . 0 0 "[ . 1 . 2]" 1
643 1 30 ARG HH22 1 60 ILE HB 5.010 . 5.510 2.765 2.735 2.787 . 0 0 "[ . 1 . 2]" 1
644 1 30 ARG HH22 1 60 ILE H 4.880 . 5.380 3.054 2.967 3.139 . 0 0 "[ . 1 . 2]" 1
645 1 30 ARG HH22 1 60 ILE MG 5.490 . 5.990 3.753 3.712 3.786 . 0 0 "[ . 1 . 2]" 1
646 1 30 ARG HH22 1 62 GLU HA 4.730 . 5.230 4.698 4.581 4.750 . 0 0 "[ . 1 . 2]" 1
647 1 30 ARG H 1 30 ARG HB2 3.770 . 4.270 2.757 2.704 2.819 . 0 0 "[ . 1 . 2]" 1
648 1 30 ARG H 1 30 ARG HD2 5.030 . 5.530 4.726 4.492 4.854 . 0 0 "[ . 1 . 2]" 1
649 1 30 ARG H 1 30 ARG HD3 4.930 . 5.430 3.689 3.389 3.829 . 0 0 "[ . 1 . 2]" 1
650 1 30 ARG H 1 30 ARG HG2 4.460 . 4.960 2.713 2.434 2.854 . 0 0 "[ . 1 . 2]" 1
651 1 30 ARG H 1 30 ARG HG3 4.460 . 4.960 4.106 3.896 4.223 . 0 0 "[ . 1 . 2]" 1
652 1 30 ARG H 1 30 ARG QG 4.300 . 4.800 2.677 2.411 2.811 . 0 0 "[ . 1 . 2]" 1
653 1 30 ARG H 1 32 LEU MD2 6.610 . 7.110 5.473 5.225 5.525 . 0 0 "[ . 1 . 2]" 1
654 1 30 ARG H 1 45 TRP HH2 4.840 . 5.340 3.897 3.648 4.039 . 0 0 "[ . 1 . 2]" 1
655 1 30 ARG QG 1 45 TRP HH2 3.680 . 4.180 2.032 1.998 2.076 . 0 0 "[ . 1 . 2]" 1
656 1 30 ARG QG 1 45 TRP HZ2 5.020 . 5.520 3.846 3.762 3.925 . 0 0 "[ . 1 . 2]" 1
657 1 30 ARG QG 1 45 TRP HZ3 4.220 . 4.720 3.028 3.008 3.047 . 0 0 "[ . 1 . 2]" 1
658 1 30 ARG QG 1 47 CYS HA 4.340 . 4.840 2.755 2.638 2.853 . 0 0 "[ . 1 . 2]" 1
659 1 30 ARG QG 1 50 ASN HB2 5.220 . 5.720 3.058 2.937 3.147 . 0 0 "[ . 1 . 2]" 1
660 1 30 ARG QG 1 50 ASN QD 5.220 . 5.720 3.779 3.660 3.924 . 0 0 "[ . 1 . 2]" 1
661 1 31 ARG HA 1 32 LEU HG 4.550 . 5.050 3.816 3.523 4.012 . 0 0 "[ . 1 . 2]" 1
662 1 31 ARG HA 1 32 LEU H 3.280 . 3.780 2.239 2.167 2.325 . 0 0 "[ . 1 . 2]" 1
663 1 31 ARG HG2 1 32 LEU H 4.820 . 5.320 3.517 2.391 4.865 . 0 0 "[ . 1 . 2]" 1
664 1 31 ARG HG3 1 32 LEU H 4.820 . 5.320 4.162 3.038 4.897 . 0 0 "[ . 1 . 2]" 1
665 1 31 ARG H 1 31 ARG HG2 5.320 . 5.820 3.783 1.937 4.543 . 0 0 "[ . 1 . 2]" 1
666 1 31 ARG H 1 31 ARG HG3 5.320 . 5.820 3.542 2.409 4.511 . 0 0 "[ . 1 . 2]" 1
667 1 31 ARG QG 1 32 LEU H 4.730 . 5.230 3.210 2.372 3.898 . 0 0 "[ . 1 . 2]" 1
668 1 32 LEU HA 1 32 LEU HG 4.180 . 4.680 3.234 3.175 3.298 . 0 0 "[ . 1 . 2]" 1
669 1 32 LEU HA 1 32 LEU MD2 3.520 . 4.020 2.177 2.134 2.231 . 0 0 "[ . 1 . 2]" 1
670 1 32 LEU HA 1 33 CYS H 2.950 . 3.450 2.414 2.287 2.684 . 0 0 "[ . 1 . 2]" 1
671 1 32 LEU HB2 1 33 CYS H 4.830 . 5.330 3.456 3.077 3.640 . 0 0 "[ . 1 . 2]" 1
672 1 32 LEU HB3 1 33 CYS H 3.940 . 4.440 2.261 1.975 2.399 . 0 0 "[ . 1 . 2]" 1
673 1 32 LEU HB3 1 33 CYS QB 5.400 . 5.900 3.966 3.770 4.168 . 0 0 "[ . 1 . 2]" 1
674 1 32 LEU HB3 1 36 ILE MD 4.620 . 5.120 2.601 2.332 3.347 . 0 0 "[ . 1 . 2]" 1
675 1 32 LEU HG 1 45 TRP HZ2 5.500 . 6.000 5.195 5.008 5.422 . 0 0 "[ . 1 . 2]" 1
676 1 32 LEU H 1 32 LEU HB2 3.510 . 4.010 2.591 2.500 2.681 . 0 0 "[ . 1 . 2]" 1
677 1 32 LEU H 1 32 LEU HB3 3.780 . 4.280 3.754 3.689 3.809 . 0 0 "[ . 1 . 2]" 1
678 1 32 LEU H 1 32 LEU HG 3.900 . 4.400 2.963 2.657 3.229 . 0 0 "[ . 1 . 2]" 1
679 1 32 LEU H 1 32 LEU MD1 5.390 . 5.890 4.086 3.939 4.249 . 0 0 "[ . 1 . 2]" 1
680 1 32 LEU H 1 32 LEU MD2 4.900 . 5.400 3.751 3.477 3.974 . 0 0 "[ . 1 . 2]" 1
681 1 32 LEU MD1 1 33 CYS H 5.030 . 5.530 4.127 3.900 4.221 . 0 0 "[ . 1 . 2]" 1
682 1 32 LEU MD1 1 36 ILE HB 4.620 . 5.120 3.130 2.427 3.382 . 0 0 "[ . 1 . 2]" 1
683 1 32 LEU MD1 1 36 ILE QG 6.440 . 6.940 4.301 3.593 4.479 . 0 0 "[ . 1 . 2]" 1
684 1 32 LEU MD1 1 36 ILE MG 4.720 . 5.220 2.401 2.179 3.282 . 0 0 "[ . 1 . 2]" 1
685 1 32 LEU MD1 1 38 PRO HD3 5.940 . 6.440 4.564 4.267 4.857 . 0 0 "[ . 1 . 2]" 1
686 1 32 LEU MD1 1 45 TRP HE1 5.400 . 5.900 4.169 3.783 4.504 . 0 0 "[ . 1 . 2]" 1
687 1 32 LEU MD1 1 45 TRP HZ2 6.020 . 6.520 4.677 4.398 4.973 . 0 0 "[ . 1 . 2]" 1
688 1 32 LEU MD2 1 33 CYS H 4.920 . 5.420 3.441 3.274 3.541 . 0 0 "[ . 1 . 2]" 1
689 1 32 LEU MD2 1 45 TRP HD1 6.390 . 6.890 5.158 4.981 5.326 . 0 0 "[ . 1 . 2]" 1
690 1 32 LEU MD2 1 45 TRP HE1 5.260 . 5.760 3.404 3.208 3.567 . 0 0 "[ . 1 . 2]" 1
691 1 32 LEU MD2 1 45 TRP HH2 5.420 . 5.920 4.516 4.452 4.539 . 0 0 "[ . 1 . 2]" 1
692 1 32 LEU MD2 1 45 TRP HZ2 4.480 . 4.980 3.025 2.913 3.150 . 0 0 "[ . 1 . 2]" 1
693 1 32 LEU MD2 1 50 ASN HA 5.200 . 5.700 3.150 2.866 3.369 . 0 0 "[ . 1 . 2]" 1
694 1 32 LEU MD2 1 51 THR H 5.330 . 5.830 2.800 2.566 3.007 . 0 0 "[ . 1 . 2]" 1
695 1 33 CYS HA 1 34 GLY H 3.560 . 4.060 2.546 2.230 3.447 . 0 0 "[ . 1 . 2]" 1
696 1 33 CYS HB2 1 36 ILE HB 5.500 . 6.000 4.749 3.762 5.507 . 0 0 "[ . 1 . 2]" 1
697 1 33 CYS HB2 1 36 ILE HG12 5.500 . 6.000 4.921 4.026 5.517 . 0 0 "[ . 1 . 2]" 1
698 1 33 CYS HB2 1 36 ILE HG13 5.500 . 6.000 3.823 2.392 5.564 . 0 0 "[ . 1 . 2]" 1
699 1 33 CYS HB2 1 36 ILE MD 5.680 . 6.180 2.863 1.973 3.477 . 0 0 "[ . 1 . 2]" 1
700 1 33 CYS HB3 1 36 ILE HB 5.500 . 6.000 4.529 3.618 5.536 . 0 0 "[ . 1 . 2]" 1
701 1 33 CYS HB3 1 36 ILE HG12 5.500 . 6.000 4.692 3.900 5.582 . 0 0 "[ . 1 . 2]" 1
702 1 33 CYS HB3 1 36 ILE HG13 5.500 . 6.000 3.395 2.342 5.537 . 0 0 "[ . 1 . 2]" 1
703 1 33 CYS HB3 1 36 ILE MD 5.680 . 6.180 2.944 2.089 3.991 . 0 0 "[ . 1 . 2]" 1
704 1 33 CYS H 1 33 CYS QB 3.670 . 4.170 2.276 2.101 2.480 . 0 0 "[ . 1 . 2]" 1
705 1 33 CYS H 1 36 ILE MD 5.540 . 6.040 2.403 1.851 3.089 . 0 0 "[ . 1 . 2]" 1
706 1 33 CYS H 1 51 THR MG 4.260 . 4.760 3.342 2.982 3.555 . 0 0 "[ . 1 . 2]" 1
707 1 33 CYS QB 1 34 GLY H 4.100 . 4.600 3.324 2.758 3.661 . 0 0 "[ . 1 . 2]" 1
708 1 33 CYS QB 1 36 ILE MD 5.280 . 5.780 2.367 1.935 3.003 . 0 0 "[ . 1 . 2]" 1
709 1 33 CYS QB 1 36 ILE QG 5.350 . 5.850 2.709 2.309 3.954 . 0 0 "[ . 1 . 2]" 1
710 1 33 CYS QB 1 51 THR MG 6.700 . 7.200 3.500 3.026 3.976 . 0 0 "[ . 1 . 2]" 1
711 1 35 ASN HB2 1 36 ILE H 5.300 . 5.800 3.981 3.368 4.629 . 0 0 "[ . 1 . 2]" 1
712 1 35 ASN HB3 1 36 ILE H 5.300 . 5.800 4.158 3.294 4.461 . 0 0 "[ . 1 . 2]" 1
713 1 35 ASN H 1 36 ILE H 4.940 . 5.440 2.600 2.473 3.011 . 0 0 "[ . 1 . 2]" 1
714 1 36 ILE HA 1 36 ILE HG12 3.750 . 4.250 2.790 2.531 3.729 . 0 0 "[ . 1 . 2]" 1
715 1 36 ILE HA 1 36 ILE HG13 3.750 . 4.250 2.986 2.507 3.217 . 0 0 "[ . 1 . 2]" 1
716 1 36 ILE HA 1 36 ILE QG 3.610 . 4.110 2.461 2.409 2.551 . 0 0 "[ . 1 . 2]" 1
717 1 36 ILE HA 1 37 ASP HB2 4.370 . 4.870 4.194 4.131 4.261 . 0 0 "[ . 1 . 2]" 1
718 1 36 ILE HA 1 37 ASP HB3 5.080 . 5.580 4.585 4.466 4.706 . 0 0 "[ . 1 . 2]" 1
719 1 36 ILE HA 1 37 ASP H 2.710 . 3.210 2.247 2.151 2.316 . 0 0 "[ . 1 . 2]" 1
720 1 36 ILE HA 1 40 VAL MG2 5.250 . 5.750 3.741 3.321 3.950 . 0 0 "[ . 1 . 2]" 1
721 1 36 ILE HB 1 37 ASP H 4.270 . 4.770 3.975 3.840 4.183 . 0 0 "[ . 1 . 2]" 1
722 1 36 ILE HG12 1 37 ASP H 5.240 . 5.740 4.492 4.265 5.248 . 0 0 "[ . 1 . 2]" 1
723 1 36 ILE HG13 1 37 ASP H 5.240 . 5.740 4.934 4.454 5.139 . 0 0 "[ . 1 . 2]" 1
724 1 36 ILE H 1 36 ILE HB 3.420 . 3.920 2.567 2.499 2.873 . 0 0 "[ . 1 . 2]" 1
725 1 36 ILE H 1 36 ILE HG12 4.050 . 4.550 3.875 3.559 4.116 . 0 0 "[ . 1 . 2]" 1
726 1 36 ILE H 1 36 ILE HG13 4.050 . 4.550 2.822 2.447 3.546 . 0 0 "[ . 1 . 2]" 1
727 1 36 ILE H 1 36 ILE MD 5.420 . 5.920 3.569 2.061 4.303 . 0 0 "[ . 1 . 2]" 1
728 1 36 ILE H 1 36 ILE QG 3.960 . 4.460 2.748 2.406 3.342 . 0 0 "[ . 1 . 2]" 1
729 1 36 ILE H 1 37 ASP H 4.720 . 5.220 4.542 4.377 4.601 . 0 0 "[ . 1 . 2]" 1
730 1 36 ILE MD 1 37 ASP H 6.030 . 6.530 4.949 4.854 5.060 . 0 0 "[ . 1 . 2]" 1
731 1 36 ILE MD 1 51 THR MG 5.550 . 6.050 2.214 2.029 3.141 . 0 0 "[ . 1 . 2]" 1
732 1 36 ILE QG 1 37 ASP H 5.140 . 5.640 4.117 4.039 4.261 . 0 0 "[ . 1 . 2]" 1
733 1 36 ILE MG 1 37 ASP HB2 5.580 . 6.080 4.662 4.645 4.685 . 0 0 "[ . 1 . 2]" 1
734 1 36 ILE MG 1 37 ASP HB3 5.450 . 5.950 4.409 4.278 4.462 . 0 0 "[ . 1 . 2]" 1
735 1 36 ILE MG 1 37 ASP H 4.170 . 4.670 2.317 2.181 2.580 . 0 0 "[ . 1 . 2]" 1
736 1 36 ILE MG 1 38 PRO HD2 6.450 . 6.950 5.285 5.161 5.389 . 0 0 "[ . 1 . 2]" 1
737 1 36 ILE MG 1 40 VAL HB 6.610 . 7.110 5.238 4.825 5.486 . 0 0 "[ . 1 . 2]" 1
738 1 37 ASP HA 1 38 PRO HD2 3.320 . 3.820 2.260 2.170 2.332 . 0 0 "[ . 1 . 2]" 1
739 1 37 ASP HA 1 38 PRO HD3 3.270 . 3.770 2.437 2.400 2.471 . 0 0 "[ . 1 . 2]" 1
740 1 37 ASP HA 1 38 PRO HG2 4.600 . 5.100 4.455 4.393 4.507 . 0 0 "[ . 1 . 2]" 1
741 1 37 ASP HA 1 38 PRO HG3 4.630 . 5.130 4.553 4.533 4.575 . 0 0 "[ . 1 . 2]" 1
742 1 37 ASP HB2 1 38 PRO HD2 4.260 . 4.760 4.048 3.987 4.084 . 0 0 "[ . 1 . 2]" 1
743 1 37 ASP HB2 1 38 PRO HD3 4.890 . 5.390 4.873 4.793 4.920 . 0 0 "[ . 1 . 2]" 1
744 1 37 ASP HB2 1 40 VAL H 4.980 . 5.480 5.007 4.978 5.023 . 0 0 "[ . 1 . 2]" 1
745 1 37 ASP HB2 1 40 VAL MG2 4.610 . 5.110 3.587 3.532 3.696 . 0 0 "[ . 1 . 2]" 1
746 1 37 ASP HB3 1 38 PRO HD2 4.610 . 5.110 4.140 4.106 4.171 . 0 0 "[ . 1 . 2]" 1
747 1 37 ASP HB3 1 38 PRO HD3 4.990 . 5.490 5.004 4.990 5.027 . 0 0 "[ . 1 . 2]" 1
748 1 37 ASP HB3 1 39 SER H 4.670 . 5.170 3.469 3.256 3.601 . 0 0 "[ . 1 . 2]" 1
749 1 37 ASP HB3 1 39 SER QB 5.940 . 6.440 3.840 3.658 4.371 . 0 0 "[ . 1 . 2]" 1
750 1 37 ASP HB3 1 40 VAL H 4.660 . 5.160 3.354 3.317 3.381 . 0 0 "[ . 1 . 2]" 1
751 1 37 ASP HB3 1 40 VAL MG1 4.490 . 4.990 3.091 2.745 3.298 . 0 0 "[ . 1 . 2]" 1
752 1 37 ASP HB3 1 40 VAL MG2 4.140 . 4.640 2.261 2.203 2.435 . 0 0 "[ . 1 . 2]" 1
753 1 37 ASP H 1 37 ASP HB2 3.340 . 3.840 2.899 2.550 3.058 . 0 0 "[ . 1 . 2]" 1
754 1 37 ASP H 1 37 ASP HB3 3.320 . 3.820 2.685 2.569 2.767 . 0 0 "[ . 1 . 2]" 1
755 1 37 ASP H 1 38 PRO HD2 5.150 . 5.650 4.937 4.907 4.955 . 0 0 "[ . 1 . 2]" 1
756 1 37 ASP H 1 38 PRO HD3 5.170 . 5.670 4.844 4.770 4.982 . 0 0 "[ . 1 . 2]" 1
757 1 37 ASP H 1 40 VAL MG2 4.920 . 5.420 2.496 2.119 2.664 . 0 0 "[ . 1 . 2]" 1
758 1 38 PRO HA 1 40 VAL H 4.440 . 4.940 3.586 3.525 3.664 . 0 0 "[ . 1 . 2]" 1
759 1 38 PRO HA 1 41 LEU HB2 3.950 . 4.450 2.914 2.700 3.100 . 0 0 "[ . 1 . 2]" 1
760 1 38 PRO HA 1 41 LEU HB3 4.850 . 5.350 4.328 4.180 4.439 . 0 0 "[ . 1 . 2]" 1
761 1 38 PRO HA 1 41 LEU HG 3.230 . 3.730 2.967 2.719 3.045 . 0 0 "[ . 1 . 2]" 1
762 1 38 PRO HA 1 41 LEU H 4.480 . 4.980 3.778 3.630 4.071 . 0 0 "[ . 1 . 2]" 1
763 1 38 PRO HA 1 41 LEU MD1 3.890 . 4.390 2.055 2.011 2.092 . 0 0 "[ . 1 . 2]" 1
764 1 38 PRO HA 1 41 LEU MD2 5.420 . 5.920 4.338 4.174 4.388 . 0 0 "[ . 1 . 2]" 1
765 1 38 PRO HA 2 3 THR MG 6.000 . 6.500 3.033 2.893 3.174 . 0 0 "[ . 1 . 2]" 1
766 1 38 PRO HB2 1 39 SER HA 4.960 . 5.460 4.536 4.451 4.579 . 0 0 "[ . 1 . 2]" 1
767 1 38 PRO HB2 1 41 LEU HB2 4.770 . 5.270 4.680 4.492 4.777 . 0 0 "[ . 1 . 2]" 1
768 1 38 PRO HB2 1 41 LEU MD1 4.860 . 5.360 4.000 3.837 4.053 . 0 0 "[ . 1 . 2]" 1
769 1 38 PRO HB2 2 3 THR MG 5.070 . 5.570 2.381 2.268 2.527 . 0 0 "[ . 1 . 2]" 1
770 1 38 PRO HB3 1 41 LEU HG 5.410 . 5.910 5.070 4.823 5.162 . 0 0 "[ . 1 . 2]" 1
771 1 38 PRO HB3 1 41 LEU MD1 4.880 . 5.380 3.084 2.984 3.122 . 0 0 "[ . 1 . 2]" 1
772 1 38 PRO HB3 2 3 THR MG 5.220 . 5.720 2.389 2.323 2.467 . 0 0 "[ . 1 . 2]" 1
773 1 38 PRO HD2 1 39 SER H 3.170 . 3.670 3.101 3.042 3.178 . 0 0 "[ . 1 . 2]" 1
774 1 38 PRO HD2 1 41 LEU MD1 6.180 . 6.680 5.137 5.088 5.175 . 0 0 "[ . 1 . 2]" 1
775 1 38 PRO HD3 1 39 SER H 4.240 . 4.740 4.175 4.130 4.226 . 0 0 "[ . 1 . 2]" 1
776 1 38 PRO HD3 1 41 LEU MD1 6.260 . 6.760 4.145 4.088 4.224 . 0 0 "[ . 1 . 2]" 1
777 1 38 PRO HG2 1 39 SER HA 5.380 . 5.880 4.814 4.728 4.922 . 0 0 "[ . 1 . 2]" 1
778 1 38 PRO HG2 1 39 SER H 3.700 . 4.200 3.077 3.030 3.188 . 0 0 "[ . 1 . 2]" 1
779 1 38 PRO HG2 1 41 LEU MD1 6.280 . 6.780 5.241 5.186 5.259 . 0 0 "[ . 1 . 2]" 1
780 1 38 PRO HG2 2 3 THR MG 5.490 . 5.990 4.425 4.330 4.567 . 0 0 "[ . 1 . 2]" 1
781 1 38 PRO HG3 1 39 SER H 5.090 . 5.590 4.537 4.507 4.614 . 0 0 "[ . 1 . 2]" 1
782 1 38 PRO HG3 1 41 LEU MD1 5.960 . 6.460 4.968 4.889 4.989 . 0 0 "[ . 1 . 2]" 1
783 1 39 SER HA 1 40 VAL MG1 6.080 . 6.580 4.612 4.545 4.704 . 0 0 "[ . 1 . 2]" 1
784 1 39 SER HA 1 41 LEU H 4.680 . 5.180 3.835 3.669 3.970 . 0 0 "[ . 1 . 2]" 1
785 1 39 SER HB2 1 40 VAL MG1 5.870 . 6.370 4.192 3.348 4.654 . 0 0 "[ . 1 . 2]" 1
786 1 39 SER HB3 1 40 VAL MG1 5.870 . 6.370 3.415 2.982 4.541 . 0 0 "[ . 1 . 2]" 1
787 1 39 SER H 1 39 SER HB2 3.530 . 4.030 2.465 2.382 3.574 . 0 0 "[ . 1 . 2]" 1
788 1 39 SER H 1 39 SER HB3 3.530 . 4.030 2.905 2.450 3.582 . 0 0 "[ . 1 . 2]" 1
789 1 39 SER H 1 39 SER QB 3.410 . 3.910 2.281 2.213 2.410 . 0 0 "[ . 1 . 2]" 1
790 1 39 SER H 1 40 VAL H 3.220 . 3.720 2.659 2.608 2.709 . 0 0 "[ . 1 . 2]" 1
791 1 39 SER H 1 40 VAL MG1 5.520 . 6.020 4.197 4.049 4.282 . 0 0 "[ . 1 . 2]" 1
792 1 39 SER H 1 40 VAL MG2 5.310 . 5.810 4.101 4.029 4.179 . 0 0 "[ . 1 . 2]" 1
793 1 39 SER H 1 41 LEU MD1 6.610 . 7.110 5.047 4.949 5.113 . 0 0 "[ . 1 . 2]" 1
794 1 39 SER QB 1 40 VAL H 4.680 . 5.180 3.330 3.214 3.777 . 0 0 "[ . 1 . 2]" 1
795 1 39 SER QB 1 40 VAL MG1 5.690 . 6.190 3.119 2.942 3.702 . 0 0 "[ . 1 . 2]" 1
796 1 40 VAL HA 1 40 VAL HB 2.940 . 3.440 2.395 2.376 2.421 . 0 0 "[ . 1 . 2]" 1
797 1 40 VAL HA 1 40 VAL MG1 3.480 . 3.980 2.347 2.326 2.366 . 0 0 "[ . 1 . 2]" 1
798 1 40 VAL HB 1 41 LEU H 5.000 . 5.500 4.529 4.510 4.537 . 0 0 "[ . 1 . 2]" 1
799 1 40 VAL H 1 40 VAL HB 4.010 . 4.510 3.886 3.851 3.912 . 0 0 "[ . 1 . 2]" 1
800 1 40 VAL H 1 40 VAL MG1 3.990 . 4.490 2.886 2.758 2.943 . 0 0 "[ . 1 . 2]" 1
801 1 40 VAL H 1 40 VAL MG2 3.700 . 4.200 2.425 2.341 2.489 . 0 0 "[ . 1 . 2]" 1
802 1 40 VAL H 1 41 LEU HA 4.920 . 5.420 4.872 4.834 4.935 . 0 0 "[ . 1 . 2]" 1
803 1 40 VAL H 1 41 LEU HB2 4.630 . 5.130 4.275 4.180 4.393 . 0 0 "[ . 1 . 2]" 1
804 1 40 VAL H 1 41 LEU HG 4.420 . 4.920 3.487 3.354 3.620 . 0 0 "[ . 1 . 2]" 1
805 1 40 VAL H 1 41 LEU H 3.690 . 4.190 2.596 2.426 2.716 . 0 0 "[ . 1 . 2]" 1
806 1 40 VAL H 1 41 LEU MD2 6.320 . 6.820 4.821 4.735 4.940 . 0 0 "[ . 1 . 2]" 1
807 1 40 VAL MG1 1 41 LEU H 5.390 . 5.890 4.416 4.384 4.430 . 0 0 "[ . 1 . 2]" 1
808 1 40 VAL MG2 1 41 LEU HA 4.980 . 5.480 4.127 4.023 4.159 . 0 0 "[ . 1 . 2]" 1
809 1 40 VAL MG2 1 41 LEU HG 4.920 . 5.420 3.097 2.789 3.339 . 0 0 "[ . 1 . 2]" 1
810 1 40 VAL MG2 1 41 LEU H 4.980 . 5.480 3.783 3.627 3.845 . 0 0 "[ . 1 . 2]" 1
811 1 40 VAL MG2 1 41 LEU MD2 5.470 . 5.970 3.431 3.201 3.571 . 0 0 "[ . 1 . 2]" 1
812 1 41 LEU HA 1 41 LEU HG 3.830 . 4.330 2.957 2.930 3.003 . 0 0 "[ . 1 . 2]" 1
813 1 41 LEU HA 1 41 LEU MD2 3.420 . 3.920 2.098 2.086 2.117 . 0 0 "[ . 1 . 2]" 1
814 1 41 LEU HA 1 42 PRO HD2 2.880 . 3.380 2.537 2.501 2.579 . 0 0 "[ . 1 . 2]" 1
815 1 41 LEU HA 1 42 PRO HD3 2.800 . 3.300 2.191 2.143 2.243 . 0 0 "[ . 1 . 2]" 1
816 1 41 LEU HA 1 42 PRO HG2 4.560 . 5.060 4.588 4.574 4.594 . 0 0 "[ . 1 . 2]" 1
817 1 41 LEU HA 1 42 PRO HG3 4.660 . 5.160 4.452 4.416 4.493 . 0 0 "[ . 1 . 2]" 1
818 1 41 LEU HA 1 45 TRP HD1 4.650 . 5.150 4.557 4.506 4.608 . 0 0 "[ . 1 . 2]" 1
819 1 41 LEU HA 2 3 THR MG 7.210 . 7.710 5.889 5.736 6.009 . 0 0 "[ . 1 . 2]" 1
820 1 41 LEU HB2 1 42 PRO HD2 3.730 . 4.230 3.747 3.741 3.755 . 0 0 "[ . 1 . 2]" 1
821 1 41 LEU HB2 1 42 PRO HD3 4.820 . 5.320 4.652 4.604 4.699 . 0 0 "[ . 1 . 2]" 1
822 1 41 LEU HB2 1 45 TRP HB2 5.270 . 5.770 4.996 4.825 5.115 . 0 0 "[ . 1 . 2]" 1
823 1 41 LEU HB2 1 45 TRP HD1 5.130 . 5.630 5.172 5.157 5.180 . 0 0 "[ . 1 . 2]" 1
824 1 41 LEU HB2 2 1 ALA MB 7.210 . 7.710 5.057 4.794 5.265 . 0 0 "[ . 1 . 2]" 1
825 1 41 LEU HB2 2 3 THR MG 7.210 . 7.710 3.372 3.226 3.505 . 0 0 "[ . 1 . 2]" 1
826 1 41 LEU HB3 1 42 PRO HD2 3.620 . 4.120 2.169 2.158 2.179 . 0 0 "[ . 1 . 2]" 1
827 1 41 LEU HB3 1 42 PRO HD3 3.940 . 4.440 3.471 3.415 3.516 . 0 0 "[ . 1 . 2]" 1
828 1 41 LEU HB3 1 45 TRP HB2 5.150 . 5.650 3.563 3.381 3.678 . 0 0 "[ . 1 . 2]" 1
829 1 41 LEU HB3 1 45 TRP HD1 4.110 . 4.610 3.441 3.427 3.451 . 0 0 "[ . 1 . 2]" 1
830 1 41 LEU HB3 2 1 ALA MB 7.210 . 7.710 4.617 4.403 4.767 . 0 0 "[ . 1 . 2]" 1
831 1 41 LEU HG 1 42 PRO HD2 5.020 . 5.520 4.490 4.467 4.517 . 0 0 "[ . 1 . 2]" 1
832 1 41 LEU H 1 41 LEU HB2 3.510 . 4.010 2.508 2.404 2.579 . 0 0 "[ . 1 . 2]" 1
833 1 41 LEU H 1 41 LEU HG 3.640 . 4.140 3.057 2.901 3.133 . 0 0 "[ . 1 . 2]" 1
834 1 41 LEU H 1 41 LEU MD2 4.980 . 5.480 3.998 3.892 4.035 . 0 0 "[ . 1 . 2]" 1
835 1 41 LEU MD1 1 42 PRO HD2 5.130 . 5.630 3.888 3.860 3.909 . 0 0 "[ . 1 . 2]" 1
836 1 41 LEU MD1 1 42 PRO HD3 6.030 . 6.530 4.943 4.874 5.009 . 0 0 "[ . 1 . 2]" 1
837 1 41 LEU MD1 1 45 TRP HB2 6.120 . 6.620 4.679 4.435 4.789 . 0 0 "[ . 1 . 2]" 1
838 1 41 LEU MD1 1 45 TRP HD1 4.710 . 5.210 3.940 3.890 3.952 . 0 0 "[ . 1 . 2]" 1
839 1 41 LEU MD1 1 45 TRP HE1 5.740 . 6.240 4.231 4.165 4.313 . 0 0 "[ . 1 . 2]" 1
840 1 41 LEU MD1 2 1 ALA MB 8.650 . 9.150 4.994 4.659 5.200 . 0 0 "[ . 1 . 2]" 1
841 1 41 LEU MD1 2 3 THR MG 5.240 . 5.740 2.789 2.362 3.019 . 0 0 "[ . 1 . 2]" 1
842 1 41 LEU MD2 1 42 PRO HD2 4.010 . 4.510 2.477 2.440 2.503 . 0 0 "[ . 1 . 2]" 1
843 1 41 LEU MD2 1 42 PRO HD3 4.050 . 4.550 2.965 2.884 3.066 . 0 0 "[ . 1 . 2]" 1
844 1 41 LEU MD2 1 42 PRO HG2 5.150 . 5.650 4.318 4.304 4.334 . 0 0 "[ . 1 . 2]" 1
845 1 41 LEU MD2 1 42 PRO HG3 5.780 . 6.280 4.327 4.274 4.417 . 0 0 "[ . 1 . 2]" 1
846 1 41 LEU MD2 1 45 TRP HB2 5.540 . 6.040 4.351 4.196 4.447 . 0 0 "[ . 1 . 2]" 1
847 1 41 LEU MD2 1 45 TRP HD1 3.880 . 4.380 2.770 2.694 2.835 . 0 0 "[ . 1 . 2]" 1
848 1 41 LEU MD2 1 45 TRP HE1 4.720 . 5.220 3.478 3.389 3.563 . 0 0 "[ . 1 . 2]" 1
849 1 42 PRO HA 1 44 ASN H 4.690 . 5.190 3.865 3.808 3.943 . 0 0 "[ . 1 . 2]" 1
850 1 42 PRO HB2 1 45 TRP HD1 5.430 . 5.930 5.116 5.091 5.142 . 0 0 "[ . 1 . 2]" 1
851 1 42 PRO HB3 1 45 TRP HD1 5.430 . 5.930 5.357 5.328 5.377 . 0 0 "[ . 1 . 2]" 1
852 1 42 PRO HD2 1 45 TRP HB2 4.130 . 4.630 2.910 2.782 3.024 . 0 0 "[ . 1 . 2]" 1
853 1 42 PRO HD2 1 45 TRP HD1 3.180 . 3.680 2.301 2.252 2.335 . 0 0 "[ . 1 . 2]" 1
854 1 42 PRO HD2 1 45 TRP HE1 4.740 . 5.240 4.640 4.593 4.669 . 0 0 "[ . 1 . 2]" 1
855 1 42 PRO HD3 1 45 TRP HB2 4.740 . 5.240 4.431 4.325 4.528 . 0 0 "[ . 1 . 2]" 1
856 1 42 PRO HD3 1 45 TRP HD1 3.710 . 4.210 3.668 3.592 3.720 . 0 0 "[ . 1 . 2]" 1
857 1 42 PRO HD3 2 1 ALA MB 7.210 . 7.710 6.062 6.047 6.076 . 0 0 "[ . 1 . 2]" 1
858 1 42 PRO HG2 1 44 ASN H 5.010 . 5.510 3.815 3.729 3.942 . 0 0 "[ . 1 . 2]" 1
859 1 42 PRO HG2 1 45 TRP HA 3.590 . 4.090 2.629 2.573 2.700 . 0 0 "[ . 1 . 2]" 1
860 1 42 PRO HG2 1 45 TRP HB2 3.940 . 4.440 2.226 2.200 2.263 . 0 0 "[ . 1 . 2]" 1
861 1 42 PRO HG2 1 45 TRP HB3 4.250 . 4.750 3.869 3.831 3.922 . 0 0 "[ . 1 . 2]" 1
862 1 42 PRO HG2 1 45 TRP HD1 3.590 . 4.090 2.741 2.709 2.781 . 0 0 "[ . 1 . 2]" 1
863 1 42 PRO HG2 1 45 TRP H 5.170 . 5.670 3.053 2.936 3.145 . 0 0 "[ . 1 . 2]" 1
864 1 42 PRO HG2 1 49 GLN HE22 5.470 . 5.970 4.299 4.175 4.388 . 0 0 "[ . 1 . 2]" 1
865 1 42 PRO HG3 1 45 TRP HB2 4.800 . 5.300 3.929 3.892 3.966 . 0 0 "[ . 1 . 2]" 1
866 1 42 PRO HG3 1 45 TRP HD1 4.220 . 4.720 3.387 3.352 3.430 . 0 0 "[ . 1 . 2]" 1
867 1 42 PRO QB 1 44 ASN H 3.880 . 4.380 2.316 2.271 2.407 . 0 0 "[ . 1 . 2]" 1
868 1 42 PRO QB 1 45 TRP HB2 5.040 . 5.540 3.897 3.818 3.958 . 0 0 "[ . 1 . 2]" 1
869 1 42 PRO QB 1 45 TRP HD1 5.190 . 5.690 4.656 4.640 4.673 . 0 0 "[ . 1 . 2]" 1
870 1 43 ASP HA 2 1 ALA MB 7.210 . 7.710 2.544 2.246 2.748 . 0 0 "[ . 1 . 2]" 1
871 1 43 ASP HB2 1 45 TRP H 5.500 . 6.000 5.373 5.277 5.546 . 0 0 "[ . 1 . 2]" 1
872 1 43 ASP HB3 1 45 TRP H 5.500 . 6.000 5.458 5.180 5.583 . 0 0 "[ . 1 . 2]" 1
873 1 43 ASP H 1 44 ASN H 4.270 . 4.770 2.638 2.387 2.705 . 0 0 "[ . 1 . 2]" 1
874 1 43 ASP QB 1 44 ASN H 4.480 . 4.980 3.238 3.113 3.792 . 0 0 "[ . 1 . 2]" 1
875 1 43 ASP QB 1 44 ASN QD 6.530 . 7.030 3.706 3.098 4.922 . 0 0 "[ . 1 . 2]" 1
876 1 44 ASN HA 2 1 ALA MB 7.210 . 7.710 3.432 3.222 3.802 . 0 0 "[ . 1 . 2]" 1
877 1 44 ASN HB2 1 44 ASN HD22 4.080 . 4.580 3.711 3.536 4.109 . 0 0 "[ . 1 . 2]" 1
878 1 44 ASN HB3 1 44 ASN HD22 4.080 . 4.580 3.863 3.524 4.126 . 0 0 "[ . 1 . 2]" 1
879 1 44 ASN H 1 44 ASN HB2 3.920 . 4.420 2.703 2.424 3.745 . 0 0 "[ . 1 . 2]" 1
880 1 44 ASN H 1 44 ASN HB3 3.920 . 4.420 3.619 2.725 3.781 . 0 0 "[ . 1 . 2]" 1
881 1 44 ASN H 1 44 ASN QD 5.060 . 5.560 3.537 2.227 4.533 . 0 0 "[ . 1 . 2]" 1
882 1 44 ASN H 1 45 TRP HB3 5.320 . 5.820 5.148 5.098 5.232 . 0 0 "[ . 1 . 2]" 1
883 1 44 ASN H 1 45 TRP H 4.820 . 5.320 2.547 2.504 2.635 . 0 0 "[ . 1 . 2]" 1
884 1 44 ASN H 2 1 ALA MB 7.210 . 7.710 3.775 3.626 3.978 . 0 0 "[ . 1 . 2]" 1
885 1 45 TRP HA 1 45 TRP HD1 3.550 . 4.050 3.256 3.210 3.288 . 0 0 "[ . 1 . 2]" 1
886 1 45 TRP HA 1 46 SER H 2.720 . 3.220 2.218 2.204 2.230 . 0 0 "[ . 1 . 2]" 1
887 1 45 TRP HA 1 49 GLN HB2 4.330 . 4.830 3.203 3.170 3.241 . 0 0 "[ . 1 . 2]" 1
888 1 45 TRP HA 1 49 GLN HE21 3.740 . 4.240 3.324 3.300 3.346 . 0 0 "[ . 1 . 2]" 1
889 1 45 TRP HA 1 49 GLN HE22 3.710 . 4.210 2.487 2.472 2.517 . 0 0 "[ . 1 . 2]" 1
890 1 45 TRP HA 1 49 GLN HG2 4.920 . 5.420 4.612 4.573 4.651 . 0 0 "[ . 1 . 2]" 1
891 1 45 TRP HA 1 49 GLN HG3 5.210 . 5.710 4.466 4.444 4.481 . 0 0 "[ . 1 . 2]" 1
892 1 45 TRP HA 1 49 GLN H 5.170 . 5.670 5.202 5.192 5.211 . 0 0 "[ . 1 . 2]" 1
893 1 45 TRP HA 2 1 ALA MB 7.210 . 7.710 4.118 4.017 4.245 . 0 0 "[ . 1 . 2]" 1
894 1 45 TRP HB2 1 45 TRP HD1 3.380 . 3.880 2.602 2.591 2.614 . 0 0 "[ . 1 . 2]" 1
895 1 45 TRP HB2 1 45 TRP HE1 4.910 . 5.410 4.789 4.780 4.796 . 0 0 "[ . 1 . 2]" 1
896 1 45 TRP HB2 1 46 SER H 4.260 . 4.760 4.236 4.218 4.264 . 0 0 "[ . 1 . 2]" 1
897 1 45 TRP HB2 2 1 ALA MB 4.840 . 5.340 2.947 2.889 2.993 . 0 0 "[ . 1 . 2]" 1
898 1 45 TRP HB3 1 45 TRP HE3 4.180 . 4.680 2.715 2.695 2.740 . 0 0 "[ . 1 . 2]" 1
899 1 45 TRP HB3 2 1 ALA MB 4.880 . 5.380 2.140 2.078 2.233 . 0 0 "[ . 1 . 2]" 1
900 1 45 TRP HD1 1 49 GLN HB2 4.200 . 4.700 3.671 3.598 3.741 . 0 0 "[ . 1 . 2]" 1
901 1 45 TRP HD1 1 49 GLN HB3 4.410 . 4.910 3.233 3.184 3.288 . 0 0 "[ . 1 . 2]" 1
902 1 45 TRP HD1 1 49 GLN HG2 5.120 . 5.620 5.154 5.138 5.162 . 0 0 "[ . 1 . 2]" 1
903 1 45 TRP HD1 2 1 ALA MB 6.000 . 6.500 4.970 4.921 5.002 . 0 0 "[ . 1 . 2]" 1
904 1 45 TRP HE1 1 46 SER H 5.150 . 5.650 4.674 4.587 4.777 . 0 0 "[ . 1 . 2]" 1
905 1 45 TRP HE1 1 49 GLN HB2 4.090 . 4.590 3.344 3.268 3.443 . 0 0 "[ . 1 . 2]" 1
906 1 45 TRP HE1 1 49 GLN HB3 4.040 . 4.540 2.977 2.912 3.066 . 0 0 "[ . 1 . 2]" 1
907 1 45 TRP HE1 1 49 GLN HG2 5.500 . 6.000 5.351 5.302 5.432 . 0 0 "[ . 1 . 2]" 1
908 1 45 TRP HE1 1 49 GLN H 5.500 . 6.000 4.879 4.765 4.991 . 0 0 "[ . 1 . 2]" 1
909 1 45 TRP HE1 1 50 ASN HA 4.340 . 4.840 3.430 3.340 3.533 . 0 0 "[ . 1 . 2]" 1
910 1 45 TRP HE3 1 46 SER HA 3.660 . 4.160 3.020 2.990 3.040 . 0 0 "[ . 1 . 2]" 1
911 1 45 TRP HE3 1 46 SER H 3.990 . 4.490 3.719 3.687 3.748 . 0 0 "[ . 1 . 2]" 1
912 1 45 TRP HE3 1 47 CYS HA 5.210 . 5.710 5.255 5.243 5.266 . 0 0 "[ . 1 . 2]" 1
913 1 45 TRP HE3 1 47 CYS H 4.960 . 5.460 4.731 4.647 4.774 . 0 0 "[ . 1 . 2]" 1
914 1 45 TRP HH2 1 47 CYS HA 3.470 . 3.970 2.666 2.514 2.841 . 0 0 "[ . 1 . 2]" 1
915 1 45 TRP HH2 1 50 ASN HB2 4.140 . 4.640 3.174 3.081 3.285 . 0 0 "[ . 1 . 2]" 1
916 1 45 TRP HH2 1 50 ASN HB3 5.030 . 5.530 4.885 4.809 4.978 . 0 0 "[ . 1 . 2]" 1
917 1 45 TRP HH2 1 50 ASN H 5.130 . 5.630 4.699 4.609 4.794 . 0 0 "[ . 1 . 2]" 1
918 1 45 TRP H 1 45 TRP HB2 4.090 . 4.590 2.380 2.352 2.417 . 0 0 "[ . 1 . 2]" 1
919 1 45 TRP H 1 45 TRP HB3 4.080 . 4.580 2.652 2.623 2.692 . 0 0 "[ . 1 . 2]" 1
920 1 45 TRP H 2 1 ALA MB 4.800 . 5.300 2.224 2.096 2.369 . 0 0 "[ . 1 . 2]" 1
921 1 45 TRP HZ2 1 49 GLN H 5.230 . 5.730 4.470 4.336 4.634 . 0 0 "[ . 1 . 2]" 1
922 1 45 TRP HZ2 1 50 ASN HA 3.540 . 4.040 2.058 2.032 2.113 . 0 0 "[ . 1 . 2]" 1
923 1 45 TRP HZ2 1 50 ASN HB2 3.650 . 4.150 2.917 2.751 3.076 . 0 0 "[ . 1 . 2]" 1
924 1 45 TRP HZ2 1 50 ASN HB3 4.420 . 4.920 4.245 4.132 4.360 . 0 0 "[ . 1 . 2]" 1
925 1 45 TRP HZ2 1 50 ASN H 4.210 . 4.710 3.635 3.503 3.781 . 0 0 "[ . 1 . 2]" 1
926 1 45 TRP HZ2 1 51 THR H 4.090 . 4.590 3.976 3.820 4.098 . 0 0 "[ . 1 . 2]" 1
927 1 45 TRP HZ3 1 46 SER HA 4.410 . 4.910 3.486 3.440 3.522 . 0 0 "[ . 1 . 2]" 1
928 1 45 TRP HZ3 1 47 CYS HA 3.930 . 4.430 3.595 3.551 3.643 . 0 0 "[ . 1 . 2]" 1
929 1 45 TRP HZ3 1 47 CYS H 4.310 . 4.810 3.772 3.706 3.842 . 0 0 "[ . 1 . 2]" 1
930 1 46 SER HA 1 47 CYS HA 4.490 . 4.990 4.354 4.330 4.368 . 0 0 "[ . 1 . 2]" 1
931 1 46 SER HA 1 47 CYS H 2.920 . 3.420 2.445 2.402 2.470 . 0 0 "[ . 1 . 2]" 1
932 1 46 SER HA 1 48 ASP H 4.640 . 5.140 4.319 4.296 4.342 . 0 0 "[ . 1 . 2]" 1
933 1 46 SER HA 1 49 GLN HE21 5.440 . 5.940 4.400 4.386 4.423 . 0 0 "[ . 1 . 2]" 1
934 1 46 SER HB2 1 47 CYS H 3.830 . 4.330 2.459 2.439 2.489 . 0 0 "[ . 1 . 2]" 1
935 1 46 SER HB2 1 48 ASP H 4.440 . 4.940 3.068 3.022 3.097 . 0 0 "[ . 1 . 2]" 1
936 1 46 SER HB3 1 47 CYS H 3.830 . 4.330 3.838 3.834 3.843 . 0 0 "[ . 1 . 2]" 1
937 1 46 SER HB3 1 48 ASP H 4.440 . 4.940 4.383 4.329 4.416 . 0 0 "[ . 1 . 2]" 1
938 1 46 SER H 1 46 SER HB2 4.120 . 4.620 3.907 3.892 3.924 . 0 0 "[ . 1 . 2]" 1
939 1 46 SER H 1 46 SER HB3 4.120 . 4.620 3.328 3.295 3.367 . 0 0 "[ . 1 . 2]" 1
940 1 46 SER H 1 47 CYS H 4.640 . 5.140 4.425 4.403 4.443 . 0 0 "[ . 1 . 2]" 1
941 1 46 SER H 1 49 GLN HB2 3.480 . 3.980 2.123 2.107 2.141 . 0 0 "[ . 1 . 2]" 1
942 1 46 SER H 1 49 GLN HB3 3.640 . 4.140 3.669 3.660 3.676 . 0 0 "[ . 1 . 2]" 1
943 1 46 SER H 1 49 GLN HE21 3.600 . 4.100 2.441 2.405 2.476 . 0 0 "[ . 1 . 2]" 1
944 1 46 SER H 1 49 GLN HE22 3.940 . 4.440 2.917 2.871 2.979 . 0 0 "[ . 1 . 2]" 1
945 1 46 SER H 1 49 GLN HG3 3.520 . 4.020 3.534 3.529 3.540 . 0 0 "[ . 1 . 2]" 1
946 1 46 SER H 1 49 GLN H 4.110 . 4.610 3.306 3.296 3.326 . 0 0 "[ . 1 . 2]" 1
947 1 46 SER QB 1 47 CYS H 3.430 . 3.930 2.432 2.413 2.459 . 0 0 "[ . 1 . 2]" 1
948 1 46 SER QB 1 48 ASP H 4.160 . 4.660 3.012 2.968 3.038 . 0 0 "[ . 1 . 2]" 1
949 1 46 SER QB 1 49 GLN HE21 3.770 . 4.270 3.064 3.038 3.096 . 0 0 "[ . 1 . 2]" 1
950 1 47 CYS HA 1 49 GLN H 3.880 . 4.380 3.721 3.692 3.744 . 0 0 "[ . 1 . 2]" 1
951 1 47 CYS HA 1 56 ASN HA 4.560 . 5.060 4.169 4.105 4.241 . 0 0 "[ . 1 . 2]" 1
952 1 47 CYS HB2 1 48 ASP H 3.280 . 3.780 2.873 2.844 2.915 . 0 0 "[ . 1 . 2]" 1
953 1 47 CYS HB2 1 49 GLN H 5.370 . 5.870 4.959 4.939 4.986 . 0 0 "[ . 1 . 2]" 1
954 1 47 CYS HB2 1 57 ARG HA 3.890 . 4.390 3.312 3.234 3.393 . 0 0 "[ . 1 . 2]" 1
955 1 47 CYS HB2 1 57 ARG H 4.710 . 5.210 4.332 4.272 4.374 . 0 0 "[ . 1 . 2]" 1
956 1 47 CYS HB2 1 58 CYS HA 3.990 . 4.490 2.961 2.818 3.061 . 0 0 "[ . 1 . 2]" 1
957 1 47 CYS HB2 1 58 CYS H 3.830 . 4.330 2.735 2.700 2.765 . 0 0 "[ . 1 . 2]" 1
958 1 47 CYS HB3 1 48 ASP H 4.020 . 4.520 3.902 3.861 3.933 . 0 0 "[ . 1 . 2]" 1
959 1 47 CYS HB3 1 50 ASN HB2 4.820 . 5.320 4.273 4.201 4.332 . 0 0 "[ . 1 . 2]" 1
960 1 47 CYS HB3 1 56 ASN HA 4.120 . 4.620 3.726 3.650 3.846 . 0 0 "[ . 1 . 2]" 1
961 1 47 CYS HB3 1 57 ARG HA 3.820 . 4.320 3.504 3.405 3.640 . 0 0 "[ . 1 . 2]" 1
962 1 47 CYS HB3 1 57 ARG H 3.600 . 4.100 3.152 3.093 3.200 . 0 0 "[ . 1 . 2]" 1
963 1 47 CYS HB3 1 58 CYS HA 4.060 . 4.560 3.539 3.447 3.605 . 0 0 "[ . 1 . 2]" 1
964 1 47 CYS HB3 1 58 CYS H 4.150 . 4.650 3.680 3.621 3.752 . 0 0 "[ . 1 . 2]" 1
965 1 47 CYS H 1 47 CYS HB2 3.050 . 3.550 2.705 2.681 2.756 . 0 0 "[ . 1 . 2]" 1
966 1 47 CYS H 1 47 CYS HB3 3.690 . 4.190 3.621 3.609 3.641 . 0 0 "[ . 1 . 2]" 1
967 1 47 CYS H 1 48 ASP H 3.650 . 4.150 2.977 2.948 3.029 . 0 0 "[ . 1 . 2]" 1
968 1 47 CYS H 1 49 GLN H 4.790 . 5.290 4.356 4.337 4.385 . 0 0 "[ . 1 . 2]" 1
969 1 48 ASP HA 1 50 ASN H 4.100 . 4.600 3.768 3.731 3.823 . 0 0 "[ . 1 . 2]" 1
970 1 48 ASP HA 1 56 ASN HA 4.220 . 4.720 4.151 4.120 4.213 . 0 0 "[ . 1 . 2]" 1
971 1 48 ASP HA 1 56 ASN HB2 4.060 . 4.560 3.825 3.707 3.934 . 0 0 "[ . 1 . 2]" 1
972 1 48 ASP H 1 48 ASP HB2 3.120 . 3.620 2.444 2.428 2.453 . 0 0 "[ . 1 . 2]" 1
973 1 48 ASP H 1 48 ASP HB3 3.120 . 3.620 2.476 2.465 2.485 . 0 0 "[ . 1 . 2]" 1
974 1 48 ASP H 1 49 GLN HB2 4.740 . 5.240 4.675 4.642 4.709 . 0 0 "[ . 1 . 2]" 1
975 1 48 ASP H 1 49 GLN HE21 4.560 . 5.060 4.319 4.273 4.382 . 0 0 "[ . 1 . 2]" 1
976 1 48 ASP H 1 49 GLN HG3 4.570 . 5.070 4.408 4.345 4.465 . 0 0 "[ . 1 . 2]" 1
977 1 48 ASP H 1 49 GLN H 2.970 . 3.470 2.693 2.677 2.710 . 0 0 "[ . 1 . 2]" 1
978 1 48 ASP QB 1 49 GLN H 4.310 . 4.810 3.173 3.149 3.200 . 0 0 "[ . 1 . 2]" 1
979 1 49 GLN HA 1 49 GLN HB3 2.890 . 3.390 2.546 2.539 2.556 . 0 0 "[ . 1 . 2]" 1
980 1 49 GLN HA 1 49 GLN HG2 2.970 . 3.470 2.623 2.615 2.632 . 0 0 "[ . 1 . 2]" 1
981 1 49 GLN HA 1 49 GLN HG3 3.210 . 3.710 2.799 2.768 2.831 . 0 0 "[ . 1 . 2]" 1
982 1 49 GLN HB2 1 49 GLN HE21 4.530 . 5.030 3.164 3.142 3.185 . 0 0 "[ . 1 . 2]" 1
983 1 49 GLN HB2 1 50 ASN H 4.300 . 4.800 3.938 3.920 3.969 . 0 0 "[ . 1 . 2]" 1
984 1 49 GLN HB3 1 49 GLN HE21 4.500 . 5.000 4.248 4.239 4.258 . 0 0 "[ . 1 . 2]" 1
985 1 49 GLN HB3 1 49 GLN HG2 2.790 . 3.290 2.375 2.365 2.393 . 0 0 "[ . 1 . 2]" 1
986 1 49 GLN HB3 1 50 ASN H 4.410 . 4.910 4.439 4.435 4.445 . 0 0 "[ . 1 . 2]" 1
987 1 49 GLN HE21 1 49 GLN HG3 3.460 . 3.960 2.305 2.296 2.313 . 0 0 "[ . 1 . 2]" 1
988 1 49 GLN HG3 1 50 ASN H 5.040 . 5.540 4.823 4.810 4.836 . 0 0 "[ . 1 . 2]" 1
989 1 49 GLN H 1 49 GLN HB2 3.050 . 3.550 2.386 2.370 2.400 . 0 0 "[ . 1 . 2]" 1
990 1 49 GLN H 1 49 GLN HB3 3.740 . 4.240 3.619 3.610 3.631 . 0 0 "[ . 1 . 2]" 1
991 1 49 GLN H 1 49 GLN HE21 4.610 . 5.110 3.736 3.702 3.765 . 0 0 "[ . 1 . 2]" 1
992 1 49 GLN H 1 49 GLN HG3 3.170 . 3.670 2.890 2.861 2.923 . 0 0 "[ . 1 . 2]" 1
993 1 49 GLN H 1 50 ASN HA 4.940 . 5.440 4.705 4.660 4.757 . 0 0 "[ . 1 . 2]" 1
994 1 49 GLN H 1 50 ASN HB3 5.500 . 6.000 5.025 4.979 5.059 . 0 0 "[ . 1 . 2]" 1
995 1 49 GLN H 1 50 ASN H 3.080 . 3.580 2.509 2.474 2.546 . 0 0 "[ . 1 . 2]" 1
996 1 50 ASN HA 1 51 THR H 2.970 . 3.470 2.276 2.235 2.330 . 0 0 "[ . 1 . 2]" 1
997 1 50 ASN HA 1 51 THR MG 5.320 . 5.820 3.644 3.522 3.821 . 0 0 "[ . 1 . 2]" 1
998 1 50 ASN HA 1 52 ASP H 4.610 . 5.110 3.984 3.930 4.072 . 0 0 "[ . 1 . 2]" 1
999 1 50 ASN HA 1 56 ASN HA 5.280 . 5.780 5.002 4.977 5.067 . 0 0 "[ . 1 . 2]" 1
1000 1 50 ASN HB2 1 51 THR H 4.580 . 5.080 4.061 3.971 4.130 . 0 0 "[ . 1 . 2]" 1
1001 1 50 ASN HB2 1 52 ASP H 4.860 . 5.360 4.399 4.293 4.591 . 0 0 "[ . 1 . 2]" 1
1002 1 50 ASN HB2 1 56 ASN HA 3.580 . 4.080 2.835 2.795 2.867 . 0 0 "[ . 1 . 2]" 1
1003 1 50 ASN HB2 1 56 ASN HB2 4.270 . 4.770 4.309 4.297 4.318 . 0 0 "[ . 1 . 2]" 1
1004 1 50 ASN HB2 1 56 ASN HB3 4.510 . 5.010 4.470 4.444 4.493 . 0 0 "[ . 1 . 2]" 1
1005 1 50 ASN HB3 1 51 THR H 4.720 . 5.220 3.639 3.556 3.736 . 0 0 "[ . 1 . 2]" 1
1006 1 50 ASN HB3 1 52 ASP H 4.230 . 4.730 3.258 3.131 3.484 . 0 0 "[ . 1 . 2]" 1
1007 1 50 ASN HB3 1 56 ASN HA 3.320 . 3.820 2.204 2.156 2.308 . 0 0 "[ . 1 . 2]" 1
1008 1 50 ASN HB3 1 56 ASN HB2 3.930 . 4.430 3.060 2.999 3.161 . 0 0 "[ . 1 . 2]" 1
1009 1 50 ASN HB3 1 56 ASN HB3 3.710 . 4.210 2.888 2.855 2.957 . 0 0 "[ . 1 . 2]" 1
1010 1 50 ASN HB3 1 56 ASN H 4.670 . 5.170 4.348 4.310 4.428 . 0 0 "[ . 1 . 2]" 1
1011 1 50 ASN HD21 1 52 ASP HB2 4.460 . 4.960 3.443 3.292 3.645 . 0 0 "[ . 1 . 2]" 1
1012 1 50 ASN HD21 1 52 ASP HB3 4.610 . 5.110 2.908 2.650 3.082 . 0 0 "[ . 1 . 2]" 1
1013 1 50 ASN HD21 1 55 TYR HB2 4.110 . 4.610 3.009 2.940 3.073 . 0 0 "[ . 1 . 2]" 1
1014 1 50 ASN HD21 1 56 ASN HA 4.990 . 5.490 3.223 3.162 3.292 . 0 0 "[ . 1 . 2]" 1
1015 1 50 ASN HD22 1 52 ASP HB2 4.460 . 4.960 2.601 2.449 2.821 . 0 0 "[ . 1 . 2]" 1
1016 1 50 ASN HD22 1 52 ASP HB3 4.610 . 5.110 2.631 2.403 2.804 . 0 0 "[ . 1 . 2]" 1
1017 1 50 ASN HD22 1 55 TYR HB2 4.110 . 4.610 2.991 2.897 3.063 . 0 0 "[ . 1 . 2]" 1
1018 1 50 ASN HD22 1 56 ASN HA 4.990 . 5.490 4.796 4.721 4.858 . 0 0 "[ . 1 . 2]" 1
1019 1 50 ASN H 1 50 ASN HB2 2.960 . 3.460 2.380 2.363 2.404 . 0 0 "[ . 1 . 2]" 1
1020 1 50 ASN H 1 50 ASN HB3 3.160 . 3.660 2.681 2.658 2.703 . 0 0 "[ . 1 . 2]" 1
1021 1 50 ASN H 1 51 THR H 4.690 . 5.190 4.667 4.643 4.682 . 0 0 "[ . 1 . 2]" 1
1022 1 50 ASN H 1 56 ASN HA 4.000 . 4.500 3.513 3.458 3.570 . 0 0 "[ . 1 . 2]" 1
1023 1 50 ASN H 1 56 ASN HB2 3.990 . 4.490 3.738 3.711 3.775 . 0 0 "[ . 1 . 2]" 1
1024 1 50 ASN H 1 56 ASN HB3 4.660 . 5.160 4.681 4.670 4.692 . 0 0 "[ . 1 . 2]" 1
1025 1 50 ASN QD 1 52 ASP HB2 4.280 . 4.780 2.528 2.388 2.731 . 0 0 "[ . 1 . 2]" 1
1026 1 50 ASN QD 1 52 ASP HB3 4.400 . 4.900 2.446 2.233 2.602 . 0 0 "[ . 1 . 2]" 1
1027 1 50 ASN QD 1 55 TYR HB3 4.340 . 4.840 3.833 3.750 3.873 . 0 0 "[ . 1 . 2]" 1
1028 1 50 ASN QD 1 55 TYR H 4.920 . 5.420 3.059 3.031 3.106 . 0 0 "[ . 1 . 2]" 1
1029 1 50 ASN QD 1 55 TYR QD 6.300 . 6.800 3.965 3.901 4.023 . 0 0 "[ . 1 . 2]" 1
1030 1 50 ASN QD 1 56 ASN HA 4.660 . 5.160 3.176 3.116 3.242 . 0 0 "[ . 1 . 2]" 1
1031 1 51 THR HA 1 51 THR HB 2.660 . 3.160 2.504 2.458 2.537 . 0 0 "[ . 1 . 2]" 1
1032 1 51 THR HA 1 51 THR MG 3.160 . 3.660 2.322 2.293 2.359 . 0 0 "[ . 1 . 2]" 1
1033 1 51 THR HB 1 52 ASP H 4.440 . 4.940 4.024 3.747 4.149 . 0 0 "[ . 1 . 2]" 1
1034 1 51 THR H 1 51 THR HB 3.980 . 4.480 3.625 3.594 3.690 . 0 0 "[ . 1 . 2]" 1
1035 1 51 THR H 1 51 THR MG 3.890 . 4.390 2.541 2.469 2.657 . 0 0 "[ . 1 . 2]" 1
1036 1 51 THR H 1 52 ASP HB2 4.710 . 5.210 4.214 4.068 4.498 . 0 0 "[ . 1 . 2]" 1
1037 1 51 THR H 1 52 ASP HB3 5.240 . 5.740 5.264 5.242 5.291 . 0 0 "[ . 1 . 2]" 1
1038 1 51 THR H 1 52 ASP H 3.160 . 3.660 2.405 2.310 2.511 . 0 0 "[ . 1 . 2]" 1
1039 1 51 THR MG 1 52 ASP H 5.020 . 5.520 4.190 4.111 4.220 . 0 0 "[ . 1 . 2]" 1
1040 1 52 ASP HA 1 53 VAL H 2.680 . 3.180 2.106 2.092 2.128 . 0 0 "[ . 1 . 2]" 1
1041 1 52 ASP HA 1 54 GLN HG2 5.500 . 6.000 4.308 4.103 4.640 . 0 0 "[ . 1 . 2]" 1
1042 1 52 ASP HA 1 54 GLN H 4.250 . 4.750 3.780 3.737 3.854 . 0 0 "[ . 1 . 2]" 1
1043 1 52 ASP HB2 1 53 VAL H 4.620 . 5.120 4.547 4.463 4.590 . 0 0 "[ . 1 . 2]" 1
1044 1 52 ASP HB2 1 54 GLN H 5.050 . 5.550 4.810 4.772 4.852 . 0 0 "[ . 1 . 2]" 1
1045 1 52 ASP HB2 1 55 TYR HB2 4.640 . 5.140 4.655 4.595 4.675 . 0 0 "[ . 1 . 2]" 1
1046 1 52 ASP HB2 1 55 TYR H 4.730 . 5.230 4.778 4.764 4.798 . 0 0 "[ . 1 . 2]" 1
1047 1 52 ASP HB3 1 53 VAL H 3.950 . 4.450 3.941 3.869 3.988 . 0 0 "[ . 1 . 2]" 1
1048 1 52 ASP HB3 1 54 GLN H 4.970 . 5.470 3.357 3.243 3.536 . 0 0 "[ . 1 . 2]" 1
1049 1 52 ASP HB3 1 55 TYR HB2 4.710 . 5.210 3.494 3.276 3.675 . 0 0 "[ . 1 . 2]" 1
1050 1 52 ASP H 1 52 ASP HB2 3.130 . 3.630 2.401 2.165 2.586 . 0 0 "[ . 1 . 2]" 1
1051 1 52 ASP H 1 52 ASP HB3 3.150 . 3.650 3.076 2.923 3.168 . 0 0 "[ . 1 . 2]" 1
1052 1 52 ASP H 1 53 VAL H 4.610 . 5.110 4.362 4.291 4.428 . 0 0 "[ . 1 . 2]" 1
1053 1 52 ASP H 1 53 VAL MG1 6.610 . 7.110 5.185 5.097 5.258 . 0 0 "[ . 1 . 2]" 1
1054 1 53 VAL HA 1 53 VAL HB 2.680 . 3.180 2.447 2.437 2.456 . 0 0 "[ . 1 . 2]" 1
1055 1 53 VAL HA 1 53 VAL MG1 3.350 . 3.850 2.344 2.330 2.351 . 0 0 "[ . 1 . 2]" 1
1056 1 53 VAL HA 1 55 TYR H 4.030 . 4.530 3.670 3.625 3.738 . 0 0 "[ . 1 . 2]" 1
1057 1 53 VAL HA 1 56 ASN HA 4.640 . 5.140 4.644 4.632 4.652 . 0 0 "[ . 1 . 2]" 1
1058 1 53 VAL HA 1 56 ASN HB2 3.650 . 4.150 3.681 3.671 3.695 . 0 0 "[ . 1 . 2]" 1
1059 1 53 VAL HA 1 56 ASN HB3 3.370 . 3.870 2.297 2.270 2.332 . 0 0 "[ . 1 . 2]" 1
1060 1 53 VAL HA 1 56 ASN HD21 3.480 . 3.980 2.981 2.897 3.052 . 0 0 "[ . 1 . 2]" 1
1061 1 53 VAL HA 1 56 ASN HD22 3.480 . 3.980 3.336 3.284 3.414 . 0 0 "[ . 1 . 2]" 1
1062 1 53 VAL HA 1 56 ASN H 4.020 . 4.520 3.295 3.209 3.415 . 0 0 "[ . 1 . 2]" 1
1063 1 53 VAL HB 1 54 GLN H 4.630 . 5.130 4.106 4.087 4.122 . 0 0 "[ . 1 . 2]" 1
1064 1 53 VAL HB 1 56 ASN HD21 4.250 . 4.750 4.106 3.935 4.249 . 0 0 "[ . 1 . 2]" 1
1065 1 53 VAL HB 1 56 ASN HD22 4.250 . 4.750 3.570 3.514 3.621 . 0 0 "[ . 1 . 2]" 1
1066 1 53 VAL HB 1 56 ASN QD 4.190 . 4.690 3.362 3.302 3.430 . 0 0 "[ . 1 . 2]" 1
1067 1 53 VAL H 1 53 VAL HB 3.690 . 4.190 3.679 3.667 3.696 . 0 0 "[ . 1 . 2]" 1
1068 1 53 VAL H 1 53 VAL MG1 3.400 . 3.900 2.163 2.124 2.209 . 0 0 "[ . 1 . 2]" 1
1069 1 53 VAL H 1 53 VAL MG2 3.360 . 3.860 2.198 2.179 2.218 . 0 0 "[ . 1 . 2]" 1
1070 1 53 VAL H 1 54 GLN HB3 5.500 . 6.000 5.450 5.352 5.509 . 0 0 "[ . 1 . 2]" 1
1071 1 53 VAL H 1 54 GLN H 3.330 . 3.830 2.747 2.713 2.792 . 0 0 "[ . 1 . 2]" 1
1072 1 53 VAL H 1 55 TYR H 4.370 . 4.870 4.387 4.356 4.404 . 0 0 "[ . 1 . 2]" 1
1073 1 53 VAL MG1 1 54 GLN H 4.900 . 5.400 4.111 4.103 4.117 . 0 0 "[ . 1 . 2]" 1
1074 1 53 VAL MG1 1 55 TYR H 6.610 . 7.110 5.227 5.205 5.260 . 0 0 "[ . 1 . 2]" 1
1075 1 53 VAL MG1 1 56 ASN HB2 5.660 . 6.160 4.526 4.471 4.592 . 0 0 "[ . 1 . 2]" 1
1076 1 53 VAL MG1 1 56 ASN HB3 5.580 . 6.080 3.789 3.749 3.819 . 0 0 "[ . 1 . 2]" 1
1077 1 53 VAL MG1 1 56 ASN HD21 4.340 . 4.840 2.888 2.826 2.959 . 0 0 "[ . 1 . 2]" 1
1078 1 53 VAL MG1 1 56 ASN HD22 4.340 . 4.840 3.317 3.164 3.563 . 0 0 "[ . 1 . 2]" 1
1079 1 53 VAL MG1 1 56 ASN H 6.430 . 6.930 5.135 5.067 5.238 . 0 0 "[ . 1 . 2]" 1
1080 1 53 VAL MG2 1 54 GLN HA 4.850 . 5.350 3.492 3.473 3.510 . 0 0 "[ . 1 . 2]" 1
1081 1 53 VAL MG2 1 54 GLN HB3 4.360 . 4.860 3.656 3.646 3.667 . 0 0 "[ . 1 . 2]" 1
1082 1 53 VAL MG2 1 54 GLN HG2 4.680 . 5.180 3.381 3.325 3.534 . 0 0 "[ . 1 . 2]" 1
1083 1 53 VAL MG2 1 54 GLN H 4.260 . 4.760 2.664 2.638 2.692 . 0 0 "[ . 1 . 2]" 1
1084 1 53 VAL MG2 1 56 ASN QD 6.790 . 7.290 4.573 4.531 4.611 . 0 0 "[ . 1 . 2]" 1
1085 1 54 GLN HA 1 54 GLN HB2 2.890 . 3.390 2.601 2.571 2.615 . 0 0 "[ . 1 . 2]" 1
1086 1 54 GLN HA 1 54 GLN HB3 2.870 . 3.370 2.249 2.219 2.278 . 0 0 "[ . 1 . 2]" 1
1087 1 54 GLN HA 1 54 GLN HG2 3.800 . 4.300 3.692 3.669 3.766 . 0 0 "[ . 1 . 2]" 1
1088 1 54 GLN HA 1 54 GLN HG3 3.720 . 4.220 3.762 3.751 3.769 . 0 0 "[ . 1 . 2]" 1
1089 1 54 GLN HA 1 55 TYR QD 5.280 . 5.780 4.559 4.534 4.601 . 0 0 "[ . 1 . 2]" 1
1090 1 54 GLN HA 1 55 TYR QE 6.170 . 6.670 5.256 5.155 5.387 . 0 0 "[ . 1 . 2]" 1
1091 1 54 GLN HA 1 60 ILE MD 4.980 . 5.480 3.747 3.662 3.838 . 0 0 "[ . 1 . 2]" 1
1092 1 54 GLN HB2 1 55 TYR H 3.960 . 4.460 3.959 3.938 3.969 . 0 0 "[ . 1 . 2]" 1
1093 1 54 GLN HB2 1 55 TYR QD 4.120 . 4.620 3.034 2.991 3.087 . 0 0 "[ . 1 . 2]" 1
1094 1 54 GLN HB2 1 55 TYR QE 4.090 . 4.590 2.921 2.800 3.082 . 0 0 "[ . 1 . 2]" 1
1095 1 54 GLN HB3 1 55 TYR H 4.380 . 4.880 4.439 4.419 4.461 . 0 0 "[ . 1 . 2]" 1
1096 1 54 GLN HB3 1 55 TYR QD 4.780 . 5.280 4.319 4.304 4.338 . 0 0 "[ . 1 . 2]" 1
1097 1 54 GLN HB3 1 55 TYR QE 5.790 . 6.290 4.395 4.301 4.513 . 0 0 "[ . 1 . 2]" 1
1098 1 54 GLN HG2 1 55 TYR H 4.390 . 4.890 4.009 3.930 4.136 . 0 0 "[ . 1 . 2]" 1
1099 1 54 GLN HG2 1 55 TYR QD 5.530 . 6.030 3.857 3.798 3.889 . 0 0 "[ . 1 . 2]" 1
1100 1 54 GLN HG2 1 55 TYR QE 5.930 . 6.430 4.617 4.539 4.679 . 0 0 "[ . 1 . 2]" 1
1101 1 54 GLN HG3 1 55 TYR HB2 4.170 . 4.670 3.948 3.756 4.114 . 0 0 "[ . 1 . 2]" 1
1102 1 54 GLN HG3 1 55 TYR QD 5.170 . 5.670 2.159 2.130 2.187 . 0 0 "[ . 1 . 2]" 1
1103 1 54 GLN HG3 1 55 TYR QE 4.920 . 5.420 3.536 3.387 3.620 . 0 0 "[ . 1 . 2]" 1
1104 1 54 GLN H 1 54 GLN HB2 3.600 . 4.100 3.561 3.532 3.602 . 0 0 "[ . 1 . 2]" 1
1105 1 54 GLN H 1 54 GLN HB3 3.030 . 3.530 2.969 2.905 3.033 . 0 0 "[ . 1 . 2]" 1
1106 1 54 GLN H 1 54 GLN HG2 3.520 . 4.020 2.007 1.940 2.111 . 0 0 "[ . 1 . 2]" 1
1107 1 54 GLN H 1 54 GLN HG3 3.790 . 4.290 2.311 2.262 2.356 . 0 0 "[ . 1 . 2]" 1
1108 1 54 GLN H 1 55 TYR H 3.090 . 3.590 2.613 2.588 2.636 . 0 0 "[ . 1 . 2]" 1
1109 1 54 GLN H 1 55 TYR QE 6.170 . 6.670 5.527 5.502 5.546 . 0 0 "[ . 1 . 2]" 1
1110 1 54 GLN H 1 56 ASN H 4.670 . 5.170 4.286 4.227 4.348 . 0 0 "[ . 1 . 2]" 1
1111 1 54 GLN QE 1 55 TYR QD 6.580 . 7.080 4.036 2.937 4.537 . 0 0 "[ . 1 . 2]" 1
1112 1 55 TYR HA 1 55 TYR QD 4.230 . 4.730 2.929 2.854 2.993 . 0 0 "[ . 1 . 2]" 1
1113 1 55 TYR HA 1 56 ASN HA 5.500 . 6.000 4.657 4.643 4.669 . 0 0 "[ . 1 . 2]" 1
1114 1 55 TYR HA 1 56 ASN H 3.270 . 3.770 2.944 2.901 2.980 . 0 0 "[ . 1 . 2]" 1
1115 1 55 TYR HA 1 57 ARG H 4.280 . 4.780 3.296 3.256 3.327 . 0 0 "[ . 1 . 2]" 1
1116 1 55 TYR HA 1 60 ILE HB 4.030 . 4.530 2.933 2.917 2.956 . 0 0 "[ . 1 . 2]" 1
1117 1 55 TYR HA 1 60 ILE HG13 4.550 . 5.050 4.447 4.437 4.460 . 0 0 "[ . 1 . 2]" 1
1118 1 55 TYR HA 1 60 ILE MD 4.320 . 4.820 2.335 2.313 2.356 . 0 0 "[ . 1 . 2]" 1
1119 1 55 TYR HA 1 60 ILE MG 4.290 . 4.790 2.263 2.231 2.288 . 0 0 "[ . 1 . 2]" 1
1120 1 55 TYR HB2 1 56 ASN H 4.610 . 5.110 4.209 4.178 4.240 . 0 0 "[ . 1 . 2]" 1
1121 1 55 TYR HB2 1 60 ILE HB 5.500 . 6.000 5.525 5.516 5.534 . 0 0 "[ . 1 . 2]" 1
1122 1 55 TYR HB2 1 60 ILE MG 5.520 . 6.020 4.570 4.529 4.593 . 0 0 "[ . 1 . 2]" 1
1123 1 55 TYR HB2 1 63 GLU QB 5.990 . 6.490 4.897 4.483 5.340 . 0 0 "[ . 1 . 2]" 1
1124 1 55 TYR HB3 1 56 ASN H 4.640 . 5.140 4.494 4.484 4.502 . 0 0 "[ . 1 . 2]" 1
1125 1 55 TYR HB3 1 57 ARG H 5.290 . 5.790 4.471 4.452 4.493 . 0 0 "[ . 1 . 2]" 1
1126 1 55 TYR HB3 1 60 ILE HB 4.910 . 5.410 4.139 4.115 4.161 . 0 0 "[ . 1 . 2]" 1
1127 1 55 TYR HB3 1 60 ILE MD 5.960 . 6.460 4.347 4.318 4.372 . 0 0 "[ . 1 . 2]" 1
1128 1 55 TYR HB3 1 60 ILE MG 5.120 . 5.620 3.680 3.636 3.717 . 0 0 "[ . 1 . 2]" 1
1129 1 55 TYR H 1 55 TYR HB2 3.540 . 4.040 2.862 2.828 2.889 . 0 0 "[ . 1 . 2]" 1
1130 1 55 TYR H 1 55 TYR HB3 3.930 . 4.430 3.898 3.878 3.913 . 0 0 "[ . 1 . 2]" 1
1131 1 55 TYR H 1 56 ASN HA 4.800 . 5.300 4.333 4.309 4.361 . 0 0 "[ . 1 . 2]" 1
1132 1 55 TYR H 1 56 ASN HB3 4.310 . 4.810 3.712 3.679 3.761 . 0 0 "[ . 1 . 2]" 1
1133 1 55 TYR H 1 56 ASN H 3.090 . 3.590 2.356 2.310 2.411 . 0 0 "[ . 1 . 2]" 1
1134 1 55 TYR H 1 57 ARG H 4.770 . 5.270 4.808 4.799 4.819 . 0 0 "[ . 1 . 2]" 1
1135 1 55 TYR H 1 60 ILE MD 4.900 . 5.400 3.915 3.884 3.971 . 0 0 "[ . 1 . 2]" 1
1136 1 55 TYR H 1 60 ILE MG 5.540 . 6.040 4.603 4.576 4.624 . 0 0 "[ . 1 . 2]" 1
1137 1 55 TYR QD 1 60 ILE HB 4.710 . 5.210 3.603 3.500 3.721 . 0 0 "[ . 1 . 2]" 1
1138 1 55 TYR QD 1 60 ILE MD 5.800 . 6.300 4.196 4.131 4.267 . 0 0 "[ . 1 . 2]" 1
1139 1 55 TYR QD 1 60 ILE MG 4.110 . 4.610 2.403 2.322 2.482 . 0 0 "[ . 1 . 2]" 1
1140 1 55 TYR QD 1 62 GLU HA 5.010 . 5.510 3.900 3.624 4.040 . 0 0 "[ . 1 . 2]" 1
1141 1 55 TYR QD 1 63 GLU QB 5.730 . 6.230 3.678 3.425 4.011 . 0 0 "[ . 1 . 2]" 1
1142 1 55 TYR QE 1 60 ILE MG 4.450 . 4.950 3.050 2.882 3.218 . 0 0 "[ . 1 . 2]" 1
1143 1 55 TYR QE 1 62 GLU HA 4.950 . 5.450 4.269 3.912 4.430 . 0 0 "[ . 1 . 2]" 1
1144 1 55 TYR QE 1 63 GLU HA 4.240 . 4.740 3.020 2.718 3.204 . 0 0 "[ . 1 . 2]" 1
1145 1 55 TYR QE 1 63 GLU HG2 6.030 . 6.530 4.658 3.295 5.048 . 0 0 "[ . 1 . 2]" 1
1146 1 55 TYR QE 1 63 GLU HG3 6.030 . 6.530 4.088 3.195 5.393 . 0 0 "[ . 1 . 2]" 1
1147 1 55 TYR QE 1 63 GLU H 5.390 . 5.890 4.038 3.712 4.441 . 0 0 "[ . 1 . 2]" 1
1148 1 55 TYR QE 1 63 GLU QB 4.180 . 4.680 3.139 2.800 3.341 . 0 0 "[ . 1 . 2]" 1
1149 1 55 TYR QE 1 63 GLU QG 5.880 . 6.380 3.709 3.038 4.586 . 0 0 "[ . 1 . 2]" 1
1150 1 55 TYR QE 1 64 THR H 5.680 . 6.180 4.842 4.453 5.075 . 0 0 "[ . 1 . 2]" 1
1151 1 56 ASN HA 1 57 ARG HG3 5.500 . 6.000 5.105 5.081 5.133 . 0 0 "[ . 1 . 2]" 1
1152 1 56 ASN HA 1 57 ARG H 3.540 . 4.040 3.055 3.031 3.089 . 0 0 "[ . 1 . 2]" 1
1153 1 56 ASN HA 1 60 ILE MD 5.660 . 6.160 4.575 4.549 4.618 . 0 0 "[ . 1 . 2]" 1
1154 1 56 ASN HB2 1 56 ASN HD22 3.660 . 4.160 3.602 3.592 3.619 . 0 0 "[ . 1 . 2]" 1
1155 1 56 ASN HB2 1 57 ARG H 4.600 . 5.100 4.554 4.545 4.563 . 0 0 "[ . 1 . 2]" 1
1156 1 56 ASN HB3 1 56 ASN HD22 3.830 . 4.330 3.750 3.722 3.764 . 0 0 "[ . 1 . 2]" 1
1157 1 56 ASN HB3 1 57 ARG H 4.900 . 5.400 4.592 4.576 4.602 . 0 0 "[ . 1 . 2]" 1
1158 1 56 ASN H 1 56 ASN HB2 3.910 . 4.410 3.664 3.658 3.672 . 0 0 "[ . 1 . 2]" 1
1159 1 56 ASN H 1 56 ASN HB3 3.420 . 3.920 2.643 2.626 2.668 . 0 0 "[ . 1 . 2]" 1
1160 1 56 ASN H 1 57 ARG HG3 4.880 . 5.380 4.892 4.887 4.898 . 0 0 "[ . 1 . 2]" 1
1161 1 56 ASN H 1 57 ARG H 3.250 . 3.750 2.934 2.894 2.969 . 0 0 "[ . 1 . 2]" 1
1162 1 56 ASN H 1 60 ILE HB 4.940 . 5.440 4.957 4.951 4.962 . 0 0 "[ . 1 . 2]" 1
1163 1 56 ASN H 1 60 ILE MD 3.730 . 4.230 2.793 2.766 2.816 . 0 0 "[ . 1 . 2]" 1
1164 1 56 ASN H 1 60 ILE MG 5.540 . 6.040 4.551 4.530 4.584 . 0 0 "[ . 1 . 2]" 1
1165 1 57 ARG HA 1 57 ARG HG2 3.810 . 4.310 2.460 2.445 2.474 . 0 0 "[ . 1 . 2]" 1
1166 1 57 ARG HA 1 57 ARG HG3 3.610 . 4.110 2.744 2.716 2.770 . 0 0 "[ . 1 . 2]" 1
1167 1 57 ARG HA 1 58 CYS HB2 4.420 . 4.920 4.121 4.110 4.144 . 0 0 "[ . 1 . 2]" 1
1168 1 57 ARG HA 1 58 CYS HB3 5.500 . 6.000 5.489 5.482 5.495 . 0 0 "[ . 1 . 2]" 1
1169 1 57 ARG HA 1 58 CYS H 3.190 . 3.690 2.113 2.105 2.120 . 0 0 "[ . 1 . 2]" 1
1170 1 57 ARG HA 1 59 ASP H 4.120 . 4.620 3.809 3.779 3.848 . 0 0 "[ . 1 . 2]" 1
1171 1 57 ARG HA 1 60 ILE MD 5.750 . 6.250 4.415 4.396 4.427 . 0 0 "[ . 1 . 2]" 1
1172 1 57 ARG HB2 1 57 ARG HD2 4.010 . 4.510 2.478 2.446 2.511 . 0 0 "[ . 1 . 2]" 1
1173 1 57 ARG HB2 1 57 ARG HD3 4.010 . 4.510 2.870 2.856 2.885 . 0 0 "[ . 1 . 2]" 1
1174 1 57 ARG HB2 1 57 ARG HE 4.530 . 5.030 4.455 4.449 4.461 . 0 0 "[ . 1 . 2]" 1
1175 1 57 ARG HB2 1 58 CYS H 4.270 . 4.770 4.275 4.269 4.280 . 0 0 "[ . 1 . 2]" 1
1176 1 57 ARG HB2 1 59 ASP H 3.770 . 4.270 3.729 3.706 3.767 . 0 0 "[ . 1 . 2]" 1
1177 1 57 ARG HB2 1 60 ILE HG12 4.040 . 4.540 3.607 3.595 3.625 . 0 0 "[ . 1 . 2]" 1
1178 1 57 ARG HB2 1 60 ILE H 4.220 . 4.720 3.935 3.915 3.967 . 0 0 "[ . 1 . 2]" 1
1179 1 57 ARG HB2 1 60 ILE MD 3.250 . 3.750 2.193 2.179 2.204 . 0 0 "[ . 1 . 2]" 1
1180 1 57 ARG HB3 1 57 ARG HD2 3.530 . 4.030 3.148 3.128 3.156 . 0 0 "[ . 1 . 2]" 1
1181 1 57 ARG HB3 1 57 ARG HD3 3.530 . 4.030 2.411 2.371 2.451 . 0 0 "[ . 1 . 2]" 1
1182 1 57 ARG HB3 1 57 ARG HE 4.390 . 4.890 4.396 4.393 4.399 . 0 0 "[ . 1 . 2]" 1
1183 1 57 ARG HB3 1 57 ARG QD 3.460 . 3.960 2.338 2.306 2.370 . 0 0 "[ . 1 . 2]" 1
1184 1 57 ARG HB3 1 58 CYS HA 4.760 . 5.260 4.777 4.769 4.784 . 0 0 "[ . 1 . 2]" 1
1185 1 57 ARG HB3 1 58 CYS HB2 5.170 . 5.670 4.561 4.488 4.611 . 0 0 "[ . 1 . 2]" 1
1186 1 57 ARG HB3 1 58 CYS HB3 5.500 . 6.000 5.581 5.574 5.590 . 0 0 "[ . 1 . 2]" 1
1187 1 57 ARG HB3 1 58 CYS H 3.460 . 3.960 3.162 3.153 3.173 . 0 0 "[ . 1 . 2]" 1
1188 1 57 ARG HB3 1 59 ASP HA 4.990 . 5.490 4.935 4.896 4.985 . 0 0 "[ . 1 . 2]" 1
1189 1 57 ARG HB3 1 59 ASP HB3 4.890 . 5.390 3.047 2.993 3.105 . 0 0 "[ . 1 . 2]" 1
1190 1 57 ARG HB3 1 59 ASP H 3.090 . 3.590 2.210 2.184 2.249 . 0 0 "[ . 1 . 2]" 1
1191 1 57 ARG HB3 1 60 ILE HG12 4.130 . 4.630 4.203 4.193 4.208 . 0 0 "[ . 1 . 2]" 1
1192 1 57 ARG HB3 1 60 ILE HG13 3.490 . 3.990 2.643 2.630 2.653 . 0 0 "[ . 1 . 2]" 1
1193 1 57 ARG HB3 1 60 ILE H 4.350 . 4.850 3.355 3.336 3.394 . 0 0 "[ . 1 . 2]" 1
1194 1 57 ARG HB3 1 60 ILE MD 4.440 . 4.940 3.481 3.469 3.493 . 0 0 "[ . 1 . 2]" 1
1195 1 57 ARG HD2 1 59 ASP H 5.240 . 5.740 5.242 5.218 5.252 . 0 0 "[ . 1 . 2]" 1
1196 1 57 ARG HD2 1 60 ILE HG12 5.070 . 5.570 4.595 4.554 4.650 . 0 0 "[ . 1 . 2]" 1
1197 1 57 ARG HD2 1 60 ILE MD 4.770 . 5.270 2.961 2.904 3.006 . 0 0 "[ . 1 . 2]" 1
1198 1 57 ARG HD3 1 59 ASP H 5.240 . 5.740 4.121 4.050 4.175 . 0 0 "[ . 1 . 2]" 1
1199 1 57 ARG HD3 1 60 ILE HG12 5.070 . 5.570 4.803 4.756 4.847 . 0 0 "[ . 1 . 2]" 1
1200 1 57 ARG HD3 1 60 ILE MD 4.770 . 5.270 3.889 3.862 3.917 . 0 0 "[ . 1 . 2]" 1
1201 1 57 ARG HG2 1 58 CYS HB2 5.130 . 5.630 5.007 4.973 5.049 . 0 0 "[ . 1 . 2]" 1
1202 1 57 ARG HG2 1 58 CYS H 3.590 . 4.090 3.606 3.600 3.612 . 0 0 "[ . 1 . 2]" 1
1203 1 57 ARG HG2 1 59 ASP H 4.280 . 4.780 4.164 4.136 4.205 . 0 0 "[ . 1 . 2]" 1
1204 1 57 ARG HG3 1 60 ILE MD 4.710 . 5.210 3.822 3.805 3.847 . 0 0 "[ . 1 . 2]" 1
1205 1 57 ARG H 1 57 ARG HB2 3.140 . 3.640 2.604 2.588 2.617 . 0 0 "[ . 1 . 2]" 1
1206 1 57 ARG H 1 57 ARG HB3 3.870 . 4.370 3.650 3.642 3.655 . 0 0 "[ . 1 . 2]" 1
1207 1 57 ARG H 1 57 ARG HD2 5.340 . 5.840 4.836 4.777 4.896 . 0 0 "[ . 1 . 2]" 1
1208 1 57 ARG H 1 57 ARG HD3 5.340 . 5.840 5.386 5.375 5.393 . 0 0 "[ . 1 . 2]" 1
1209 1 57 ARG H 1 57 ARG HG3 4.080 . 4.580 3.790 3.775 3.809 . 0 0 "[ . 1 . 2]" 1
1210 1 57 ARG H 1 57 ARG QD 5.240 . 5.740 4.508 4.471 4.543 . 0 0 "[ . 1 . 2]" 1
1211 1 57 ARG H 1 58 CYS H 4.530 . 5.030 4.323 4.313 4.338 . 0 0 "[ . 1 . 2]" 1
1212 1 57 ARG H 1 59 ASP H 4.990 . 5.490 4.837 4.809 4.887 . 0 0 "[ . 1 . 2]" 1
1213 1 57 ARG H 1 60 ILE HB 4.000 . 4.500 3.321 3.293 3.362 . 0 0 "[ . 1 . 2]" 1
1214 1 57 ARG H 1 60 ILE HG12 4.920 . 5.420 4.929 4.924 4.934 . 0 0 "[ . 1 . 2]" 1
1215 1 57 ARG H 1 60 ILE HG13 4.400 . 4.900 3.601 3.593 3.609 . 0 0 "[ . 1 . 2]" 1
1216 1 57 ARG H 1 60 ILE H 4.430 . 4.930 4.383 4.368 4.404 . 0 0 "[ . 1 . 2]" 1
1217 1 57 ARG H 1 60 ILE MD 3.520 . 4.020 2.425 2.403 2.440 . 0 0 "[ . 1 . 2]" 1
1218 1 57 ARG H 1 60 ILE MG 5.390 . 5.890 4.295 4.276 4.310 . 0 0 "[ . 1 . 2]" 1
1219 1 57 ARG QD 1 59 ASP H 5.120 . 5.620 3.978 3.919 4.021 . 0 0 "[ . 1 . 2]" 1
1220 1 57 ARG QD 1 60 ILE HG12 4.980 . 5.480 4.179 4.142 4.219 . 0 0 "[ . 1 . 2]" 1
1221 1 57 ARG QD 1 60 ILE MD 4.680 . 5.180 2.874 2.825 2.912 . 0 0 "[ . 1 . 2]" 1
1222 1 58 CYS HA 1 58 CYS HB2 3.000 . 3.500 3.021 3.015 3.028 . 0 0 "[ . 1 . 2]" 1
1223 1 58 CYS HA 1 60 ILE H 4.170 . 4.670 3.594 3.548 3.652 . 0 0 "[ . 1 . 2]" 1
1224 1 58 CYS HB2 1 59 ASP HA 5.500 . 6.000 4.970 4.852 5.038 . 0 0 "[ . 1 . 2]" 1
1225 1 58 CYS HB2 1 59 ASP H 3.870 . 4.370 3.342 3.235 3.400 . 0 0 "[ . 1 . 2]" 1
1226 1 58 CYS HB3 1 59 ASP HB2 4.600 . 5.100 4.652 4.638 4.659 . 0 0 "[ . 1 . 2]" 1
1227 1 58 CYS HB3 1 59 ASP H 3.990 . 4.490 3.800 3.783 3.823 . 0 0 "[ . 1 . 2]" 1
1228 1 58 CYS HB3 1 60 ILE H 5.500 . 6.000 5.074 5.049 5.100 . 0 0 "[ . 1 . 2]" 1
1229 1 58 CYS H 1 58 CYS HB2 3.400 . 3.900 2.071 2.053 2.103 . 0 0 "[ . 1 . 2]" 1
1230 1 58 CYS H 1 58 CYS HB3 3.370 . 3.870 3.385 3.379 3.391 . 0 0 "[ . 1 . 2]" 1
1231 1 58 CYS H 1 59 ASP H 3.290 . 3.790 2.845 2.820 2.868 . 0 0 "[ . 1 . 2]" 1
1232 1 58 CYS H 1 60 ILE H 4.490 . 4.990 4.328 4.310 4.345 . 0 0 "[ . 1 . 2]" 1
1233 1 59 ASP HA 1 59 ASP HB2 2.770 . 3.270 2.487 2.478 2.491 . 0 0 "[ . 1 . 2]" 1
1234 1 59 ASP HA 1 60 ILE HG13 5.180 . 5.680 5.043 5.010 5.064 . 0 0 "[ . 1 . 2]" 1
1235 1 59 ASP HA 1 60 ILE H 3.570 . 4.070 3.276 3.268 3.287 . 0 0 "[ . 1 . 2]" 1
1236 1 59 ASP HB2 1 60 ILE HG13 5.130 . 5.630 5.132 5.091 5.149 . 0 0 "[ . 1 . 2]" 1
1237 1 59 ASP HB2 1 60 ILE H 4.330 . 4.830 4.323 4.301 4.333 . 0 0 "[ . 1 . 2]" 1
1238 1 59 ASP HB3 1 60 ILE HG13 4.980 . 5.480 3.672 3.624 3.692 . 0 0 "[ . 1 . 2]" 1
1239 1 59 ASP HB3 1 60 ILE H 4.110 . 4.610 3.616 3.574 3.636 . 0 0 "[ . 1 . 2]" 1
1240 1 59 ASP H 1 59 ASP HB2 3.330 . 3.830 2.641 2.625 2.656 . 0 0 "[ . 1 . 2]" 1
1241 1 59 ASP H 1 59 ASP HB3 2.970 . 3.470 2.461 2.453 2.472 . 0 0 "[ . 1 . 2]" 1
1242 1 59 ASP H 1 60 ILE HB 4.600 . 5.100 4.558 4.544 4.569 . 0 0 "[ . 1 . 2]" 1
1243 1 59 ASP H 1 60 ILE HG12 4.850 . 5.350 4.864 4.857 4.870 . 0 0 "[ . 1 . 2]" 1
1244 1 59 ASP H 1 60 ILE HG13 4.540 . 5.040 3.422 3.409 3.432 . 0 0 "[ . 1 . 2]" 1
1245 1 59 ASP H 1 60 ILE H 3.030 . 3.530 2.356 2.345 2.377 . 0 0 "[ . 1 . 2]" 1
1246 1 59 ASP H 1 60 ILE MD 5.740 . 6.240 4.723 4.704 4.740 . 0 0 "[ . 1 . 2]" 1
1247 1 59 ASP H 1 60 ILE MG 6.610 . 7.110 5.574 5.571 5.580 . 0 0 "[ . 1 . 2]" 1
1248 1 60 ILE HA 1 60 ILE HG12 3.170 . 3.670 2.478 2.469 2.490 . 0 0 "[ . 1 . 2]" 1
1249 1 60 ILE HA 1 60 ILE HG13 3.350 . 3.850 3.074 3.068 3.080 . 0 0 "[ . 1 . 2]" 1
1250 1 60 ILE HA 1 60 ILE MG 3.520 . 4.020 2.400 2.387 2.414 . 0 0 "[ . 1 . 2]" 1
1251 1 60 ILE HA 1 61 PRO HD2 2.700 . 3.200 2.160 2.152 2.174 . 0 0 "[ . 1 . 2]" 1
1252 1 60 ILE HA 1 61 PRO HD3 2.690 . 3.190 2.346 2.339 2.353 . 0 0 "[ . 1 . 2]" 1
1253 1 60 ILE HA 1 61 PRO QG 4.800 . 5.300 3.940 3.933 3.951 . 0 0 "[ . 1 . 2]" 1
1254 1 60 ILE HB 1 60 ILE MD 3.420 . 3.920 2.495 2.489 2.502 . 0 0 "[ . 1 . 2]" 1
1255 1 60 ILE HB 1 61 PRO HD2 4.630 . 5.130 4.049 4.043 4.057 . 0 0 "[ . 1 . 2]" 1
1256 1 60 ILE HB 1 61 PRO HD3 4.950 . 5.450 4.971 4.967 4.974 . 0 0 "[ . 1 . 2]" 1
1257 1 60 ILE HG12 1 61 PRO HD2 4.140 . 4.640 3.814 3.800 3.824 . 0 0 "[ . 1 . 2]" 1
1258 1 60 ILE HG12 1 61 PRO HD3 4.710 . 5.210 4.593 4.582 4.601 . 0 0 "[ . 1 . 2]" 1
1259 1 60 ILE HG13 1 61 PRO HD2 4.760 . 5.260 4.830 4.825 4.836 . 0 0 "[ . 1 . 2]" 1
1260 1 60 ILE HG13 1 61 PRO HD3 5.370 . 5.870 5.419 5.411 5.425 . 0 0 "[ . 1 . 2]" 1
1261 1 60 ILE H 1 60 ILE HB 2.720 . 3.220 2.604 2.584 2.623 . 0 0 "[ . 1 . 2]" 1
1262 1 60 ILE H 1 60 ILE HG12 3.780 . 4.280 3.625 3.587 3.649 . 0 0 "[ . 1 . 2]" 1
1263 1 60 ILE H 1 60 ILE HG13 2.910 . 3.410 2.511 2.473 2.535 . 0 0 "[ . 1 . 2]" 1
1264 1 60 ILE H 1 60 ILE MD 4.840 . 5.340 3.936 3.915 3.951 . 0 0 "[ . 1 . 2]" 1
1265 1 60 ILE H 1 61 PRO HD2 4.990 . 5.490 4.855 4.846 4.868 . 0 0 "[ . 1 . 2]" 1
1266 1 60 ILE H 1 61 PRO HD3 5.000 . 5.500 4.861 4.836 4.885 . 0 0 "[ . 1 . 2]" 1
1267 1 60 ILE MD 1 61 PRO HD2 5.460 . 5.960 4.459 4.451 4.471 . 0 0 "[ . 1 . 2]" 1
1268 1 60 ILE MD 1 61 PRO HD3 6.610 . 7.110 5.521 5.516 5.526 . 0 0 "[ . 1 . 2]" 1
1269 1 60 ILE MD 1 60 ILE MG 3.710 . 4.210 2.099 2.089 2.108 . 0 0 "[ . 1 . 2]" 1
1270 1 60 ILE MG 1 61 PRO HA 5.140 . 5.640 4.235 4.214 4.252 . 0 0 "[ . 1 . 2]" 1
1271 1 60 ILE MG 1 61 PRO HB2 5.690 . 6.190 4.550 4.537 4.563 . 0 0 "[ . 1 . 2]" 1
1272 1 60 ILE MG 1 61 PRO HB3 5.690 . 6.190 4.757 4.753 4.759 . 0 0 "[ . 1 . 2]" 1
1273 1 60 ILE MG 1 61 PRO HD2 3.490 . 3.990 1.969 1.964 1.975 . 0 0 "[ . 1 . 2]" 1
1274 1 60 ILE MG 1 61 PRO HD3 3.950 . 4.450 3.307 3.305 3.309 . 0 0 "[ . 1 . 2]" 1
1275 1 60 ILE MG 1 61 PRO QB 5.500 . 6.000 4.138 4.132 4.145 . 0 0 "[ . 1 . 2]" 1
1276 1 60 ILE MG 1 61 PRO QG 5.370 . 5.870 3.015 3.003 3.036 . 0 0 "[ . 1 . 2]" 1
1277 1 60 ILE MG 1 62 GLU HA 6.390 . 6.890 4.866 4.679 4.974 . 0 0 "[ . 1 . 2]" 1
1278 1 61 PRO HA 1 62 GLU H 2.610 . 3.110 2.364 2.313 2.401 . 0 0 "[ . 1 . 2]" 1
1279 1 61 PRO HB2 1 62 GLU H 3.770 . 4.270 2.840 2.786 2.928 . 0 0 "[ . 1 . 2]" 1
1280 1 61 PRO HB3 1 62 GLU H 3.770 . 4.270 3.579 3.525 3.611 . 0 0 "[ . 1 . 2]" 1
1281 1 61 PRO QB 1 62 GLU H 3.490 . 3.990 2.736 2.692 2.804 . 0 0 "[ . 1 . 2]" 1
1282 1 61 PRO QG 1 62 GLU H 5.250 . 5.750 4.343 4.299 4.407 . 0 0 "[ . 1 . 2]" 1
1283 1 62 GLU HA 1 62 GLU HG2 3.980 . 4.480 2.421 2.251 2.633 . 0 0 "[ . 1 . 2]" 1
1284 1 62 GLU HA 1 62 GLU HG3 3.980 . 4.480 3.049 2.392 3.595 . 0 0 "[ . 1 . 2]" 1
1285 1 62 GLU HA 1 62 GLU QG 3.740 . 4.240 2.250 2.195 2.387 . 0 0 "[ . 1 . 2]" 1
1286 1 62 GLU HA 1 63 GLU H 3.110 . 3.610 2.311 2.218 2.427 . 0 0 "[ . 1 . 2]" 1
1287 1 62 GLU HA 1 63 GLU QB 5.110 . 5.610 4.022 3.862 4.254 . 0 0 "[ . 1 . 2]" 1
1288 1 62 GLU HB2 1 63 GLU H 4.790 . 5.290 4.304 4.176 4.442 . 0 0 "[ . 1 . 2]" 1
1289 1 62 GLU HB3 1 63 GLU H 4.610 . 5.110 3.656 3.403 3.934 . 0 0 "[ . 1 . 2]" 1
1290 1 62 GLU HG2 1 63 GLU H 4.910 . 5.410 2.962 2.468 3.629 . 0 0 "[ . 1 . 2]" 1
1291 1 62 GLU HG3 1 63 GLU H 4.910 . 5.410 3.925 3.427 4.308 . 0 0 "[ . 1 . 2]" 1
1292 1 62 GLU H 1 62 GLU HB2 3.100 . 3.600 2.136 2.097 2.185 . 0 0 "[ . 1 . 2]" 1
1293 1 62 GLU H 1 62 GLU HB3 3.260 . 3.760 2.806 2.704 2.964 . 0 0 "[ . 1 . 2]" 1
1294 1 62 GLU H 1 62 GLU HG2 4.300 . 4.800 4.204 3.893 4.392 . 0 0 "[ . 1 . 2]" 1
1295 1 62 GLU H 1 62 GLU HG3 4.300 . 4.800 4.217 4.052 4.378 . 0 0 "[ . 1 . 2]" 1
1296 1 62 GLU H 1 62 GLU QG 4.180 . 4.680 3.734 3.640 3.760 . 0 0 "[ . 1 . 2]" 1
1297 1 62 GLU H 1 63 GLU H 4.760 . 5.260 4.647 4.615 4.698 . 0 0 "[ . 1 . 2]" 1
1298 1 62 GLU QG 1 63 GLU H 4.740 . 5.240 2.875 2.424 3.432 . 0 0 "[ . 1 . 2]" 1
1299 1 63 GLU HA 1 63 GLU QG 3.600 . 4.100 2.645 2.351 3.312 . 0 0 "[ . 1 . 2]" 1
1300 1 63 GLU HA 1 64 THR H 2.670 . 3.170 2.256 2.145 2.541 . 0 0 "[ . 1 . 2]" 1
1301 1 63 GLU HB2 1 64 THR H 4.050 . 4.550 3.942 2.116 4.110 . 0 0 "[ . 1 . 2]" 1
1302 1 63 GLU HB3 1 64 THR H 4.050 . 4.550 3.965 3.633 4.068 . 0 0 "[ . 1 . 2]" 1
1303 1 63 GLU HG2 1 64 THR H 4.180 . 4.680 3.150 1.979 4.204 . 0 0 "[ . 1 . 2]" 1
1304 1 63 GLU HG3 1 64 THR H 4.180 . 4.680 2.780 2.352 4.182 . 0 0 "[ . 1 . 2]" 1
1305 1 63 GLU H 1 63 GLU HB2 4.100 . 4.600 2.665 2.307 3.737 . 0 0 "[ . 1 . 2]" 1
1306 1 63 GLU H 1 63 GLU HB3 4.100 . 4.600 2.439 2.264 2.757 . 0 0 "[ . 1 . 2]" 1
1307 1 63 GLU H 1 63 GLU HG2 5.340 . 5.840 4.357 2.316 4.548 . 0 0 "[ . 1 . 2]" 1
1308 1 63 GLU H 1 63 GLU HG3 5.340 . 5.840 4.412 3.321 4.548 . 0 0 "[ . 1 . 2]" 1
1309 1 63 GLU H 1 64 THR H 4.770 . 5.270 4.621 4.519 4.655 . 0 0 "[ . 1 . 2]" 1
1310 1 63 GLU QG 1 64 THR H 4.110 . 4.610 2.500 1.967 2.901 . 0 0 "[ . 1 . 2]" 1
1311 1 64 THR HA 1 65 TRP HD1 4.000 . 4.500 3.549 2.809 3.896 . 0 0 "[ . 1 . 2]" 1
1312 1 64 THR HA 1 65 TRP H 2.940 . 3.440 2.198 2.108 2.399 . 0 0 "[ . 1 . 2]" 1
1313 1 64 THR HA 1 65 TRP QB 5.120 . 5.620 4.381 4.013 4.578 . 0 0 "[ . 1 . 2]" 1
1314 1 64 THR H 1 64 THR HB 2.970 . 3.470 2.601 2.494 2.737 . 0 0 "[ . 1 . 2]" 1
1315 1 64 THR MG 1 65 TRP HD1 6.300 . 6.800 5.128 4.678 5.260 . 0 0 "[ . 1 . 2]" 1
1316 1 64 THR MG 1 65 TRP H 4.760 . 5.260 3.400 2.787 3.917 . 0 0 "[ . 1 . 2]" 1
1317 1 64 THR MG 1 66 THR H 5.620 . 6.120 3.217 2.321 4.708 . 0 0 "[ . 1 . 2]" 1
1318 1 65 TRP HA 1 66 THR H 3.060 . 3.560 2.911 2.124 3.167 . 0 0 "[ . 1 . 2]" 1
1319 1 18 TRP HH2 1 65 TRP HB3 6.000 . 6.500 2.591 2.295 3.028 . 0 0 "[ . 1 . 2]" 1
1320 1 65 TRP HD1 2 4 . HM11 7.930 . 8.430 4.195 3.748 4.483 . 0 0 "[ . 1 . 2]" 1
1321 1 65 TRP HE1 2 4 . HM11 7.930 . 8.430 3.293 2.786 3.687 . 0 0 "[ . 1 . 2]" 1
1322 1 65 TRP HE3 2 4 . HM11 7.250 . 7.750 3.402 2.980 4.333 . 0 0 "[ . 1 . 2]" 1
1323 1 65 TRP H 1 65 TRP HD1 4.550 . 5.050 2.450 2.077 3.166 . 0 0 "[ . 1 . 2]" 1
1324 1 65 TRP H 1 65 TRP QB 3.670 . 4.170 2.832 2.373 3.286 . 0 0 "[ . 1 . 2]" 1
1325 1 65 TRP H 1 66 THR H 4.570 . 5.070 2.849 2.023 4.460 . 0 0 "[ . 1 . 2]" 1
1326 1 65 TRP HZ2 2 4 . HM11 7.460 . 7.960 2.499 2.137 2.768 . 0 0 "[ . 1 . 2]" 1
1327 1 65 TRP HZ3 2 4 . HM11 7.930 . 8.430 3.034 2.662 3.795 . 0 0 "[ . 1 . 2]" 1
1328 1 68 LEU HA 1 68 LEU HG 4.170 . 4.670 3.045 2.460 3.767 . 0 0 "[ . 1 . 2]" 1
1329 1 68 LEU HA 1 69 GLU H 3.110 . 3.610 2.199 2.121 2.338 . 0 0 "[ . 1 . 2]" 1
1330 1 68 LEU HB2 1 69 GLU H 5.100 . 5.600 4.209 3.819 4.518 . 0 0 "[ . 1 . 2]" 1
1331 1 68 LEU HB3 1 69 GLU H 5.100 . 5.600 3.752 2.486 4.472 . 0 0 "[ . 1 . 2]" 1
1332 1 68 LEU HG 1 69 GLU H 5.480 . 5.980 3.673 2.424 5.098 . 0 0 "[ . 1 . 2]" 1
1333 1 68 LEU H 1 68 LEU HB2 3.620 . 4.120 2.820 2.278 3.409 . 0 0 "[ . 1 . 2]" 1
1334 1 68 LEU H 1 68 LEU HB3 3.620 . 4.120 3.002 2.393 3.678 . 0 0 "[ . 1 . 2]" 1
1335 1 68 LEU H 1 68 LEU HG 4.980 . 5.480 4.334 2.455 5.019 . 0 0 "[ . 1 . 2]" 1
1336 1 68 LEU H 1 68 LEU QB 3.320 . 3.820 2.482 2.187 2.779 . 0 0 "[ . 1 . 2]" 1
1337 1 68 LEU QB 1 69 GLU H 4.960 . 5.460 3.452 2.456 3.992 . 0 0 "[ . 1 . 2]" 1
1338 1 68 LEU MD1 1 69 GLU H 6.610 . 7.110 3.404 2.111 4.979 . 0 0 "[ . 1 . 2]" 1
1339 1 68 LEU MD2 1 69 GLU H 6.610 . 7.110 3.950 2.709 5.063 . 0 0 "[ . 1 . 2]" 1
1340 1 68 LEU QD 1 69 GLU H 5.820 . 6.320 2.757 2.106 3.946 . 0 0 "[ . 1 . 2]" 1
1341 1 69 GLU H 1 69 GLU HB2 4.080 . 4.580 3.104 2.425 4.024 . 0 0 "[ . 1 . 2]" 1
1342 1 69 GLU H 1 69 GLU HB3 4.080 . 4.580 3.304 2.593 3.871 . 0 0 "[ . 1 . 2]" 1
1343 1 69 GLU H 1 69 GLU HG2 5.370 . 5.870 3.608 2.068 5.160 . 0 0 "[ . 1 . 2]" 1
1344 1 69 GLU H 1 69 GLU HG3 5.370 . 5.870 3.759 2.420 4.707 . 0 0 "[ . 1 . 2]" 1
1345 2 1 ALA MB 2 2 ARG H 4.910 . 5.410 3.304 2.790 3.473 . 0 0 "[ . 1 . 2]" 1
1346 2 1 ALA MB 2 3 THR MG 5.580 . 6.080 3.575 3.370 3.743 . 0 0 "[ . 1 . 2]" 1
1347 2 2 ARG HA 2 2 ARG HD2 5.500 . 6.000 4.329 3.375 4.628 . 0 0 "[ . 1 . 2]" 1
1348 2 2 ARG HA 2 2 ARG HD3 5.500 . 6.000 3.934 2.295 4.687 . 0 0 "[ . 1 . 2]" 1
1349 2 2 ARG HA 2 3 THR HA 4.670 . 5.170 4.517 4.497 4.542 . 0 0 "[ . 1 . 2]" 1
1350 2 2 ARG HA 2 3 THR H 2.520 . 3.020 2.206 2.152 2.274 . 0 0 "[ . 1 . 2]" 1
1351 2 2 ARG HB2 2 3 THR H 4.040 . 4.540 3.988 3.720 4.108 . 0 0 "[ . 1 . 2]" 1
1352 2 2 ARG HB3 2 3 THR H 3.420 . 3.920 2.923 2.445 3.420 . 0 0 "[ . 1 . 2]" 1
1353 2 2 ARG HB3 2 4 . H 5.500 . 6.000 5.567 5.543 5.580 . 0 0 "[ . 1 . 2]" 1
1354 2 2 ARG HD2 2 3 THR H 5.500 . 6.000 4.683 2.614 5.520 . 0 0 "[ . 1 . 2]" 1
1355 2 2 ARG HD3 2 3 THR H 5.500 . 6.000 4.004 1.799 4.779 0.001 14 0 "[ . 1 . 2]" 1
1356 2 2 ARG HG2 2 3 THR H 4.720 . 5.220 3.257 2.190 4.117 . 0 0 "[ . 1 . 2]" 1
1357 2 2 ARG HG3 2 3 THR H 4.720 . 5.220 4.131 2.923 4.761 . 0 0 "[ . 1 . 2]" 1
1358 2 2 ARG QG 2 3 THR H 4.370 . 4.870 3.131 2.158 3.833 . 0 0 "[ . 1 . 2]" 1
1359 2 3 THR HA 2 3 THR MG 3.530 . 4.030 2.285 2.248 2.316 . 0 0 "[ . 1 . 2]" 1
1360 2 3 THR HA 2 4 . H 2.940 . 3.440 2.112 2.038 2.170 . 0 0 "[ . 1 . 2]" 1
1361 2 3 THR HB 2 4 . H 3.260 . 3.760 2.899 2.739 3.118 . 0 0 "[ . 1 . 2]" 1
1362 2 3 THR H 2 3 THR HB 3.920 . 4.420 3.787 3.750 3.823 . 0 0 "[ . 1 . 2]" 1
1363 2 3 THR H 2 3 THR MG 4.350 . 4.850 3.320 3.264 3.363 . 0 0 "[ . 1 . 2]" 1
1364 2 3 THR H 2 4 . H 4.590 . 5.090 4.317 4.263 4.346 . 0 0 "[ . 1 . 2]" 1
1365 2 2 ARG HA 2 3 THR MG 6.000 . 6.500 3.891 3.815 3.964 . 0 0 "[ . 1 . 2]" 1
1366 2 3 THR MG 2 4 . HA 6.520 . 7.020 5.295 5.240 5.341 . 0 0 "[ . 1 . 2]" 1
1367 2 3 THR MG 2 4 . H 4.200 . 4.700 3.509 3.499 3.525 . 0 0 "[ . 1 . 2]" 1
1368 2 4 . HB2 2 5 GLN H 3.670 . 4.170 3.694 3.679 3.708 . 0 0 "[ . 1 . 2]" 1
1369 2 4 . HB3 2 5 GLN H 2.910 . 3.410 2.226 2.202 2.250 . 0 0 "[ . 1 . 2]" 1
1370 2 4 . HD2 2 4 . HM11 5.540 . 6.040 2.021 1.995 2.092 . 0 0 "[ . 1 . 2]" 1
1371 2 4 . HD3 2 4 . HM11 5.540 . 6.040 2.089 2.039 2.131 . 0 0 "[ . 1 . 2]" 1
1372 2 4 . HE2 2 5 GLN H 4.820 . 5.320 4.794 4.699 4.835 . 0 0 "[ . 1 . 2]" 1
1373 2 4 . HE2 2 6 THR HB 4.750 . 5.250 3.872 2.669 4.794 . 0 0 "[ . 1 . 2]" 1
1374 2 4 . HG2 2 5 GLN H 4.430 . 4.930 2.978 2.869 3.048 . 0 0 "[ . 1 . 2]" 1
1375 2 4 . HG3 2 5 GLN H 4.430 . 4.930 4.194 4.116 4.255 . 0 0 "[ . 1 . 2]" 1
1376 2 4 . H 2 4 . HB2 4.030 . 4.530 3.303 3.207 3.382 . 0 0 "[ . 1 . 2]" 1
1377 2 4 . H 2 4 . HB3 4.100 . 4.600 4.030 3.986 4.064 . 0 0 "[ . 1 . 2]" 1
1378 2 4 . H 2 4 . HE3 5.500 . 6.000 5.113 5.006 5.193 . 0 0 "[ . 1 . 2]" 1
1379 2 4 . H 2 4 . HG2 4.080 . 4.580 3.586 3.538 3.683 . 0 0 "[ . 1 . 2]" 1
1380 2 4 . H 2 4 . HG3 4.080 . 4.580 2.733 2.637 2.840 . 0 0 "[ . 1 . 2]" 1
1381 2 4 . H 2 4 . HG2 3.960 . 4.460 2.652 2.569 2.734 . 0 0 "[ . 1 . 2]" 1
1382 2 4 . H 2 5 GLN H 4.570 . 5.070 4.404 4.387 4.421 . 0 0 "[ . 1 . 2]" 1
1383 2 4 . H 2 5 GLN QG 5.990 . 6.490 4.481 4.224 4.616 . 0 0 "[ . 1 . 2]" 1
1384 2 4 . HG2 2 5 GLN H 4.380 . 4.880 2.918 2.817 2.983 . 0 0 "[ . 1 . 2]" 1
1385 2 4 . HM11 2 6 THR HB 5.650 . 6.150 3.384 2.648 3.918 . 0 0 "[ . 1 . 2]" 1
1386 2 5 GLN HB2 2 6 THR H 4.460 . 4.960 3.969 3.752 4.378 . 0 0 "[ . 1 . 2]" 1
1387 2 5 GLN HB3 2 6 THR H 4.460 . 4.960 2.857 2.614 3.658 . 0 0 "[ . 1 . 2]" 1
1388 2 4 . HA 2 5 GLN H 5.000 . 5.500 2.477 2.416 2.513 . 0 0 "[ . 1 . 2]" 1
1389 2 5 GLN H 2 5 GLN QB 3.600 . 4.100 2.775 2.672 2.829 . 0 0 "[ . 1 . 2]" 1
1390 2 5 GLN H 2 5 GLN QG 3.930 . 4.430 3.245 3.089 3.370 . 0 0 "[ . 1 . 2]" 1
1391 2 5 GLN H 2 6 THR H 5.040 . 5.540 4.345 4.050 4.401 . 0 0 "[ . 1 . 2]" 1
1392 2 5 GLN QB 2 6 THR H 4.390 . 4.890 2.793 2.569 3.484 . 0 0 "[ . 1 . 2]" 1
1393 2 5 GLN QG 2 6 THR H 5.990 . 6.490 4.001 3.739 4.409 . 0 0 "[ . 1 . 2]" 1
1394 2 4 . HE2 2 6 THR HA 5.000 . 5.500 5.057 5.021 5.082 . 0 0 "[ . 1 . 2]" 1
1395 2 6 THR HA 2 7 ALA H 3.200 . 3.700 2.381 2.117 2.748 . 0 0 "[ . 1 . 2]" 1
1396 2 6 THR HB 2 7 ALA H 3.700 . 4.200 3.152 2.163 3.804 . 0 0 "[ . 1 . 2]" 1
1397 2 6 THR H 2 7 ALA H 5.500 . 6.000 4.397 4.153 4.484 . 0 0 "[ . 1 . 2]" 1
1398 2 6 THR MG 2 7 ALA H 4.600 . 5.100 3.291 2.302 3.846 . 0 0 "[ . 1 . 2]" 1
1399 2 7 ALA HA 2 8 ARG H 3.460 . 3.960 2.384 2.124 3.301 . 0 0 "[ . 1 . 2]" 1
1400 2 8 ARG HA 2 8 ARG QG 3.270 . 3.770 2.507 2.160 2.948 . 0 0 "[ . 1 . 2]" 1
1401 2 8 ARG HA 2 9 LYS H 3.370 . 3.870 2.428 2.097 3.310 . 0 0 "[ . 1 . 2]" 1
1402 2 8 ARG H 2 8 ARG QB 3.650 . 4.150 2.483 2.081 3.301 . 0 0 "[ . 1 . 2]" 1
1403 2 8 ARG H 2 8 ARG QG 3.660 . 4.160 2.680 2.091 3.267 . 0 0 "[ . 1 . 2]" 1
stop_
save_
save_distance_constraint_statistics_2
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 2
_Distance_constraint_stats_list.Constraint_count 14
_Distance_constraint_stats_list.Viol_count 219
_Distance_constraint_stats_list.Viol_total 59.728
_Distance_constraint_stats_list.Viol_max 0.026
_Distance_constraint_stats_list.Viol_rms 0.0085
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0107
_Distance_constraint_stats_list.Viol_average_violations_only 0.0136
_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 21 CYS 1.095 0.022 6 0 "[ . 1 . 2]"
1 26 CYS 0.963 0.026 18 0 "[ . 1 . 2]"
1 47 CYS 1.098 0.023 18 0 "[ . 1 . 2]"
1 58 CYS 1.091 0.026 18 0 "[ . 1 . 2]"
3 1 ZN 1.725 0.026 18 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 21 CYS SG 1 26 CYS SG 3.850 3.650 4.350 3.645 3.642 3.647 0.008 1 0 "[ . 1 . 2]" 2
2 1 21 CYS SG 1 47 CYS SG 3.850 3.650 4.350 3.635 3.630 3.637 0.020 18 0 "[ . 1 . 2]" 2
3 1 21 CYS SG 1 58 CYS SG 3.850 3.650 4.350 3.636 3.634 3.638 0.016 9 0 "[ . 1 . 2]" 2
4 1 21 CYS CB 3 1 ZN ZN 3.520 3.220 4.020 3.231 3.218 3.256 0.002 8 0 "[ . 1 . 2]" 2
5 1 21 CYS SG 3 1 ZN ZN 2.350 2.250 2.850 2.230 2.228 2.233 0.022 6 0 "[ . 1 . 2]" 2
6 1 26 CYS SG 1 47 CYS SG 3.850 3.650 4.350 3.639 3.632 3.640 0.018 18 0 "[ . 1 . 2]" 2
7 1 26 CYS SG 1 58 CYS SG 3.850 3.650 4.350 3.643 3.640 3.649 0.010 1 0 "[ . 1 . 2]" 2
8 1 26 CYS CB 3 1 ZN ZN 3.520 3.220 4.020 3.219 3.216 3.223 0.004 15 0 "[ . 1 . 2]" 2
9 1 26 CYS SG 3 1 ZN ZN 2.350 2.250 2.850 2.227 2.224 2.229 0.026 18 0 "[ . 1 . 2]" 2
10 1 47 CYS SG 1 58 CYS SG 3.850 3.650 4.350 3.640 3.637 3.642 0.013 18 0 "[ . 1 . 2]" 2
11 1 47 CYS CB 3 1 ZN ZN 3.520 3.220 4.020 3.297 3.274 3.318 . 0 0 "[ . 1 . 2]" 2
12 1 47 CYS SG 3 1 ZN ZN 2.350 2.250 2.850 2.232 2.227 2.233 0.023 18 0 "[ . 1 . 2]" 2
13 1 58 CYS CB 3 1 ZN ZN 3.520 3.220 4.020 3.468 3.399 3.519 . 0 0 "[ . 1 . 2]" 2
14 1 58 CYS SG 3 1 ZN ZN 2.350 2.250 2.850 2.227 2.224 2.229 0.026 18 0 "[ . 1 . 2]" 2
stop_
save_
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