NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
493347 |
2l0y   |
17067 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2l0y
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 912
_Distance_constraint_stats_list.Viol_count 6
_Distance_constraint_stats_list.Viol_total 17.896
_Distance_constraint_stats_list.Viol_max 0.173
_Distance_constraint_stats_list.Viol_rms 0.0027
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0000
_Distance_constraint_stats_list.Viol_average_violations_only 0.1491
_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 50 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 51 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 52 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 53 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 54 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 55 TRP 0.000 0.000 . 0 "[ . 1 . 2]"
1 56 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 57 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 59 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 60 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 61 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 62 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 63 MET 0.000 0.000 . 0 "[ . 1 . 2]"
1 64 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 65 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 66 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 67 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 68 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 69 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 70 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 71 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 72 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 73 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 74 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 75 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 76 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 77 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 78 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 79 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 80 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
1 81 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 82 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 83 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 84 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 85 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 86 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 87 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 88 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 89 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 90 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 91 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 92 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 93 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 94 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 95 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 96 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 97 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 98 MET 0.000 0.000 . 0 "[ . 1 . 2]"
1 99 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 100 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 101 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 102 MET 0.000 0.000 . 0 "[ . 1 . 2]"
1 103 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 104 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 105 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 106 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 107 ASP 0.638 0.173 7 0 "[ . 1 . 2]"
1 108 LEU 0.895 0.173 7 0 "[ . 1 . 2]"
1 109 TYR 0.256 0.128 18 0 "[ . 1 . 2]"
2 52 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
2 53 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
2 56 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
2 60 MET 0.000 0.000 . 0 "[ . 1 . 2]"
2 63 LEU 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 72 PHE QE 1 76 PHE QD 4.990 . 5.490 3.347 2.797 3.853 . 0 0 "[ . 1 . 2]" 1
2 1 67 PRO HA 1 105 TYR QD 6.330 . 6.830 5.279 4.885 5.655 . 0 0 "[ . 1 . 2]" 1
3 1 55 TRP HH2 1 77 SER HA 6.000 . 6.500 4.470 4.052 4.768 . 0 0 "[ . 1 . 2]" 1
4 1 71 GLN HA 1 71 GLN QE . . 5.790 4.075 3.621 4.560 . 0 0 "[ . 1 . 2]" 1
5 1 104 LYS HA 1 105 TYR QD 4.960 . 5.460 4.472 4.164 4.540 . 0 0 "[ . 1 . 2]" 1
6 1 102 MET HA 1 109 TYR QE 4.950 . 5.450 4.330 3.695 4.505 . 0 0 "[ . 1 . 2]" 1
7 1 72 PHE QD 1 73 LYS HA 5.690 . 6.190 4.336 3.413 4.722 . 0 0 "[ . 1 . 2]" 1
8 1 68 CYS HA 1 101 CYS HB3 5.390 . 5.890 4.147 3.827 4.657 . 0 0 "[ . 1 . 2]" 1
9 1 105 TYR HB2 1 109 TYR QE 3.880 . 4.380 2.327 2.069 2.721 . 0 0 "[ . 1 . 2]" 1
10 1 93 ASP QB 1 94 GLN HE22 . . 5.460 3.204 2.763 3.753 . 0 0 "[ . 1 . 2]" 1
11 1 107 ASP HB2 1 109 TYR QE 6.500 . 7.000 5.845 5.483 5.922 . 0 0 "[ . 1 . 2]" 1
12 1 55 TRP HD1 1 73 LYS QE 5.900 . 6.400 3.401 3.111 3.619 . 0 0 "[ . 1 . 2]" 1
13 1 55 TRP HZ2 1 73 LYS HB3 4.790 . 5.290 3.000 2.851 3.087 . 0 0 "[ . 1 . 2]" 1
14 1 71 GLN QE 1 97 ALA MB 6.180 . 6.680 4.152 3.836 4.427 . 0 0 "[ . 1 . 2]" 1
15 1 55 TRP HE3 1 60 LEU HB3 5.040 . 5.540 3.439 2.191 5.052 . 0 0 "[ . 1 . 2]" 1
16 1 55 TRP HE3 1 64 ALA MB 5.120 . 5.620 2.177 2.073 2.264 . 0 0 "[ . 1 . 2]" 1
17 1 105 TYR HA 1 108 LEU HB2 5.150 . 5.650 4.699 3.496 5.247 . 0 0 "[ . 1 . 2]" 1
18 1 55 TRP HD1 1 73 LYS HD2 5.820 . 6.320 3.767 3.543 3.976 . 0 0 "[ . 1 . 2]" 1
19 1 55 TRP HZ3 1 73 LYS HD2 4.780 . 5.280 4.827 4.785 4.872 . 0 0 "[ . 1 . 2]" 1
20 1 55 TRP HZ3 1 60 LEU HG 4.620 . 5.120 4.291 3.730 4.657 . 0 0 "[ . 1 . 2]" 1
21 1 60 LEU HG 1 72 PHE QE 4.640 . 5.140 2.473 1.989 3.020 . 0 0 "[ . 1 . 2]" 1
22 1 105 TYR QE 1 108 LEU MD2 5.590 . 6.090 4.059 3.563 4.217 . 0 0 "[ . 1 . 2]" 1
23 1 79 PHE QD 1 87 LYS HA 5.310 . 5.810 2.924 2.690 3.235 . 0 0 "[ . 1 . 2]" 1
24 1 67 PRO HG2 1 109 TYR QE 4.140 . 4.640 3.348 2.436 3.714 . 0 0 "[ . 1 . 2]" 1
25 1 55 TRP HZ3 1 60 LEU HB3 6.000 . 6.500 4.186 2.742 5.832 . 0 0 "[ . 1 . 2]" 1
26 1 55 TRP HZ3 1 73 LYS HG2 5.810 . 6.310 5.731 5.508 5.835 . 0 0 "[ . 1 . 2]" 1
27 1 55 TRP HZ3 1 72 PHE QD 6.050 . 6.550 2.668 2.209 3.318 . 0 0 "[ . 1 . 2]" 1
28 1 54 ASN HA 1 55 TRP HD1 5.050 . 5.550 4.449 3.782 5.063 . 0 0 "[ . 1 . 2]" 1
29 1 50 ASN HD21 1 52 ASN HB2 5.260 . 5.310 3.204 2.150 4.056 . 0 0 "[ . 1 . 2]" 1
30 1 50 ASN HD21 1 52 ASN HB3 5.450 . 5.950 3.927 2.239 5.481 . 0 0 "[ . 1 . 2]" 1
31 1 77 SER HB2 1 81 TYR QD 5.140 . 5.640 3.987 3.209 4.622 . 0 0 "[ . 1 . 2]" 1
32 1 77 SER HA 1 81 TYR QD 4.550 . 5.050 3.680 3.252 4.113 . 0 0 "[ . 1 . 2]" 1
33 1 50 ASN HD22 1 52 ASN HB3 5.480 . 5.980 3.333 2.104 4.492 . 0 0 "[ . 1 . 2]" 1
34 1 52 ASN HD21 1 53 ILE MD . . 7.110 4.913 3.560 5.528 . 0 0 "[ . 1 . 2]" 1
35 1 55 TRP HE1 1 64 ALA MB 7.210 . 7.710 5.288 5.158 5.531 . 0 0 "[ . 1 . 2]" 1
36 1 55 TRP HE1 1 73 LYS HB2 6.000 . 6.500 5.739 5.463 6.001 . 0 0 "[ . 1 . 2]" 1
37 1 55 TRP HE1 1 73 LYS HG2 6.000 . 6.500 5.869 5.547 6.000 . 0 0 "[ . 1 . 2]" 1
38 1 55 TRP HE1 1 73 LYS HD2 6.000 . 6.500 2.931 2.637 3.077 . 0 0 "[ . 1 . 2]" 1
39 1 80 HIS HA 1 81 TYR QD 6.070 . 6.570 5.206 4.650 5.463 . 0 0 "[ . 1 . 2]" 1
40 1 55 TRP HD1 1 64 ALA MB 5.720 . 6.220 4.839 4.805 4.880 . 0 0 "[ . 1 . 2]" 1
41 1 55 TRP HZ2 1 77 SER HB3 5.920 . 6.420 3.582 2.695 4.857 . 0 0 "[ . 1 . 2]" 1
42 1 79 PHE QD 1 95 PHE QE 5.620 . 6.120 4.456 4.335 4.497 . 0 0 "[ . 1 . 2]" 1
43 1 60 LEU MD2 1 76 PHE QE 7.740 . 8.240 3.686 2.316 5.300 . 0 0 "[ . 1 . 2]" 1
44 1 77 SER HB2 1 81 TYR QE 5.440 . 5.940 3.465 2.128 4.614 . 0 0 "[ . 1 . 2]" 1
45 1 104 LYS QE 1 105 TYR QE 4.790 . 5.290 3.072 2.264 3.823 . 0 0 "[ . 1 . 2]" 1
46 1 71 GLN QE 1 101 CYS HB2 . . 5.790 3.632 2.957 4.226 . 0 0 "[ . 1 . 2]" 1
47 1 70 GLU HG2 1 71 GLN QE 6.000 . 6.500 3.540 2.403 5.543 . 0 0 "[ . 1 . 2]" 1
48 1 105 TYR HA 1 109 TYR QD 6.520 . 7.020 5.640 5.138 5.917 . 0 0 "[ . 1 . 2]" 1
49 1 55 TRP HZ3 1 60 LEU HB2 6.000 . 6.500 4.923 3.304 6.106 . 0 0 "[ . 1 . 2]" 1
50 1 67 PRO HG2 1 105 TYR QE 6.730 . 7.230 4.391 3.257 5.098 . 0 0 "[ . 1 . 2]" 1
51 1 67 PRO HG3 1 105 TYR QE 5.630 . 6.130 3.845 2.615 5.018 . 0 0 "[ . 1 . 2]" 1
52 1 67 PRO HB3 1 105 TYR QE 4.270 . 4.770 2.796 2.478 2.979 . 0 0 "[ . 1 . 2]" 1
53 1 104 LYS HB3 1 105 TYR QE 5.080 . 5.580 3.187 2.891 3.454 . 0 0 "[ . 1 . 2]" 1
54 1 60 LEU MD2 1 72 PHE QD 8.090 . 8.590 3.127 2.598 3.982 . 0 0 "[ . 1 . 2]" 1
55 1 60 LEU MD2 1 72 PHE QE 6.310 . 6.810 2.168 2.025 2.713 . 0 0 "[ . 1 . 2]" 1
56 1 70 GLU HB2 1 71 GLN QE 5.780 . 6.280 4.147 2.760 5.572 . 0 0 "[ . 1 . 2]" 1
57 1 102 MET HG2 1 109 TYR QE 5.710 . 6.210 3.564 2.260 4.794 . 0 0 "[ . 1 . 2]" 1
58 1 105 TYR HB2 1 109 TYR QD 4.140 . 4.640 3.668 3.081 3.822 . 0 0 "[ . 1 . 2]" 1
59 1 106 PRO QG 1 109 TYR QE 7.560 . 8.060 5.616 5.228 6.017 . 0 0 "[ . 1 . 2]" 1
60 1 67 PRO HG3 1 109 TYR QE 5.120 . 5.620 3.871 3.366 4.565 . 0 0 "[ . 1 . 2]" 1
61 1 105 TYR HB3 1 109 TYR QE 4.280 . 4.780 2.829 2.229 3.824 . 0 0 "[ . 1 . 2]" 1
62 1 105 TYR HB3 1 109 TYR QD 5.160 . 5.660 3.582 2.989 4.285 . 0 0 "[ . 1 . 2]" 1
63 1 104 LYS HA 1 105 TYR QE 6.490 . 6.990 5.111 4.828 5.428 . 0 0 "[ . 1 . 2]" 1
64 1 104 LYS HG2 1 105 TYR QE 6.490 . 6.990 5.254 4.890 5.543 . 0 0 "[ . 1 . 2]" 1
65 1 104 LYS HB3 1 105 TYR QD 4.550 . 5.050 3.263 2.627 3.606 . 0 0 "[ . 1 . 2]" 1
66 1 104 LYS QD 1 105 TYR QE 6.720 . 7.220 4.278 3.138 5.343 . 0 0 "[ . 1 . 2]" 1
67 1 104 LYS HB2 1 105 TYR QE 4.020 . 4.520 3.482 2.932 3.611 . 0 0 "[ . 1 . 2]" 1
68 1 105 TYR QE 1 106 PRO HD2 6.630 . 7.130 5.754 5.377 5.947 . 0 0 "[ . 1 . 2]" 1
69 1 67 PRO HB2 1 105 TYR QE 4.530 . 5.030 2.683 2.157 3.200 . 0 0 "[ . 1 . 2]" 1
70 1 104 LYS HG3 1 105 TYR QE 6.520 . 7.020 4.779 3.721 5.523 . 0 0 "[ . 1 . 2]" 1
71 1 80 HIS HB2 1 81 TYR QD 6.730 . 7.230 3.999 3.107 5.375 . 0 0 "[ . 1 . 2]" 1
72 1 80 HIS HB3 1 81 TYR QD 6.430 . 6.930 3.815 2.694 4.406 . 0 0 "[ . 1 . 2]" 1
73 1 75 ALA HA 1 95 PHE QD 5.770 . 6.270 3.911 3.605 4.219 . 0 0 "[ . 1 . 2]" 1
74 1 78 CYS HB3 1 95 PHE QD 5.690 . 6.190 5.000 4.742 5.094 . 0 0 "[ . 1 . 2]" 1
75 1 64 ALA MB 1 72 PHE QE 6.110 . 6.610 3.525 2.961 3.845 . 0 0 "[ . 1 . 2]" 1
76 1 60 LEU HB2 1 72 PHE QE 5.310 . 5.660 4.310 3.804 4.628 . 0 0 "[ . 1 . 2]" 1
77 1 64 ALA HA 1 72 PHE QD . . 5.830 2.925 2.271 3.408 . 0 0 "[ . 1 . 2]" 1
78 1 64 ALA HA 1 72 PHE QE 5.740 . 6.240 4.965 4.442 5.172 . 0 0 "[ . 1 . 2]" 1
79 1 60 LEU HA 1 72 PHE QD 5.810 . 6.310 4.901 4.060 5.241 . 0 0 "[ . 1 . 2]" 1
80 1 72 PHE QD 1 76 PHE HA 6.730 . 7.230 5.808 5.127 6.034 . 0 0 "[ . 1 . 2]" 1
81 1 72 PHE QD 1 73 LYS QE 7.560 . 8.060 4.798 4.485 5.078 . 0 0 "[ . 1 . 2]" 1
82 1 72 PHE QD 1 76 PHE HB3 6.730 . 7.230 4.553 3.855 4.950 . 0 0 "[ . 1 . 2]" 1
83 1 72 PHE QD 1 73 LYS HD2 6.290 . 6.790 5.608 5.066 5.690 . 0 0 "[ . 1 . 2]" 1
84 1 53 ILE MD 1 72 PHE QD 8.090 . 8.590 5.814 4.916 6.033 . 0 0 "[ . 1 . 2]" 1
85 1 108 LEU MD1 1 109 TYR HA 4.950 . 5.450 3.525 2.451 4.199 . 0 0 "[ . 1 . 2]" 1
86 1 104 LYS HB2 1 105 TYR QD 4.690 . 5.190 2.927 2.128 3.572 . 0 0 "[ . 1 . 2]" 1
87 1 67 PRO HB2 1 105 TYR QD 5.620 . 6.120 2.793 2.215 3.245 . 0 0 "[ . 1 . 2]" 1
88 1 70 GLU HG3 1 71 GLN QE 6.000 . 6.500 3.429 2.597 5.166 . 0 0 "[ . 1 . 2]" 1
89 1 55 TRP HE3 1 60 LEU HB2 6.000 . 6.500 4.078 2.322 6.013 . 0 0 "[ . 1 . 2]" 1
90 1 55 TRP HZ2 1 77 SER HA 4.920 . 5.420 4.758 4.536 4.948 . 0 0 "[ . 1 . 2]" 1
91 1 55 TRP HZ2 1 77 SER HB2 4.590 . 5.090 3.931 2.593 4.616 . 0 0 "[ . 1 . 2]" 1
92 1 55 TRP HH2 1 76 PHE HB2 5.590 . 6.090 3.373 2.726 4.130 . 0 0 "[ . 1 . 2]" 1
93 1 55 TRP HZ3 1 60 LEU HA 6.000 . 6.500 5.607 5.001 6.033 . 0 0 "[ . 1 . 2]" 1
94 1 55 TRP HZ3 1 76 PHE HB3 6.000 . 6.500 3.174 2.729 3.504 . 0 0 "[ . 1 . 2]" 1
95 1 53 ILE MG 1 55 TRP HE3 5.730 . 5.860 2.622 2.518 2.793 . 0 0 "[ . 1 . 2]" 1
96 1 68 CYS HA 1 101 CYS HB2 5.390 . 5.890 4.606 4.264 5.404 . 0 0 "[ . 1 . 2]" 1
97 1 68 CYS HA 1 71 GLN QG 6.590 . 7.090 2.445 2.208 2.740 . 0 0 "[ . 1 . 2]" 1
98 1 68 CYS HA 1 102 MET HG2 6.000 . 6.500 5.581 5.129 6.003 . 0 0 "[ . 1 . 2]" 1
99 1 68 CYS HA 1 71 GLN HB2 4.820 . 5.320 4.336 4.114 4.591 . 0 0 "[ . 1 . 2]" 1
100 1 67 PRO HA 1 105 TYR QE 5.070 . 5.570 4.554 4.518 4.583 . 0 0 "[ . 1 . 2]" 1
101 1 66 GLY HA2 1 109 TYR QE 6.030 . 6.530 5.437 5.401 5.491 . 0 0 "[ . 1 . 2]" 1
102 1 87 LYS HG2 1 95 PHE QE 6.730 . 7.230 5.529 3.416 5.999 . 0 0 "[ . 1 . 2]" 1
103 1 103 GLN HE22 1 104 LYS HB2 6.000 . 6.500 5.420 4.943 5.988 . 0 0 "[ . 1 . 2]" 1
104 1 103 GLN HE22 1 104 LYS HB3 6.000 . 6.500 5.289 4.982 5.874 . 0 0 "[ . 1 . 2]" 1
105 1 107 ASP HA 1 108 LEU MD1 6.850 . 7.350 5.429 4.773 5.743 . 0 0 "[ . 1 . 2]" 1
106 1 107 ASP HA 1 108 LEU HA 5.230 . 5.730 4.625 4.473 4.834 . 0 0 "[ . 1 . 2]" 1
107 1 70 GLU HA 1 73 LYS HD3 . . 5.660 4.576 4.424 4.705 . 0 0 "[ . 1 . 2]" 1
108 1 55 TRP HB2 1 73 LYS QE 6.730 . 7.230 3.188 2.871 3.478 . 0 0 "[ . 1 . 2]" 1
109 1 106 PRO HG2 1 107 ASP H . . 4.260 2.501 2.093 3.279 . 0 0 "[ . 1 . 2]" 1
110 1 96 ARG HG2 1 97 ALA HA 4.690 . 5.190 4.327 3.925 5.073 . 0 0 "[ . 1 . 2]" 1
111 1 53 ILE HG13 1 60 LEU HG 5.850 . 6.350 5.901 5.878 5.933 . 0 0 "[ . 1 . 2]" 1
112 1 53 ILE MG 1 60 LEU HG 4.960 . 5.460 4.055 3.763 4.217 . 0 0 "[ . 1 . 2]" 1
113 1 67 PRO HD2 1 108 LEU MD2 6.040 . 6.540 4.924 4.045 5.075 . 0 0 "[ . 1 . 2]" 1
114 1 67 PRO HD3 1 108 LEU MD2 5.390 . 5.890 4.298 3.776 4.529 . 0 0 "[ . 1 . 2]" 1
115 1 108 LEU MD2 1 109 TYR HA 6.440 . 6.940 4.163 2.474 5.369 . 0 0 "[ . 1 . 2]" 1
116 1 66 GLY HA2 1 67 PRO HD3 4.050 . 4.550 2.878 2.077 3.238 . 0 0 "[ . 1 . 2]" 1
117 1 108 LEU HB2 1 109 TYR QE 6.730 . 7.230 4.880 3.989 6.051 . 0 0 "[ . 1 . 2]" 1
118 1 106 PRO HG2 1 107 ASP HB2 6.000 . 6.500 3.454 2.189 4.655 . 0 0 "[ . 1 . 2]" 1
119 1 74 SER HB2 1 94 GLN HG3 5.000 . 5.500 4.544 4.202 4.844 . 0 0 "[ . 1 . 2]" 1
120 1 52 ASN HA 1 53 ILE HB 5.120 . 5.620 4.370 3.771 4.784 . 0 0 "[ . 1 . 2]" 1
121 1 53 ILE MD 1 55 TRP HH2 5.020 . 5.520 2.665 2.529 2.821 . 0 0 "[ . 1 . 2]" 1
122 1 101 CYS HA 1 104 LYS HG3 5.130 . 5.630 3.163 2.735 3.767 . 0 0 "[ . 1 . 2]" 1
123 1 66 GLY HA2 1 108 LEU MD1 7.210 . 7.710 4.686 3.962 6.006 . 0 0 "[ . 1 . 2]" 1
124 1 67 PRO HB2 1 108 LEU MD1 7.180 . 7.680 3.969 2.722 4.539 . 0 0 "[ . 1 . 2]" 1
125 1 67 PRO HB3 1 108 LEU MD1 6.710 . 7.210 3.332 2.565 4.203 . 0 0 "[ . 1 . 2]" 1
126 1 64 ALA HA 1 69 GLY HA2 4.820 . 5.320 2.892 2.566 3.471 . 0 0 "[ . 1 . 2]" 1
127 1 64 ALA HA 1 69 GLY HA3 4.850 . 5.350 3.817 3.504 4.504 . 0 0 "[ . 1 . 2]" 1
128 1 79 PHE QD 1 80 HIS HA 6.730 . 7.230 4.142 3.742 4.654 . 0 0 "[ . 1 . 2]" 1
129 1 83 THR H 1 84 GLU HA 6.000 . 6.080 5.327 5.167 5.500 . 0 0 "[ . 1 . 2]" 1
130 1 79 PHE QD 1 88 GLY HA2 5.400 . 5.900 3.685 2.909 4.436 . 0 0 "[ . 1 . 2]" 1
131 1 79 PHE QD 1 88 GLY HA3 6.040 . 6.540 4.562 3.604 5.385 . 0 0 "[ . 1 . 2]" 1
132 1 84 GLU QG 1 90 ASP HA 6.340 . 6.840 5.005 4.351 5.609 . 0 0 "[ . 1 . 2]" 1
133 1 89 SER HB3 1 90 ASP HA 5.930 . 6.430 5.612 4.453 5.974 . 0 0 "[ . 1 . 2]" 1
134 1 94 GLN HB2 1 94 GLN HE22 5.040 . 5.540 3.908 3.811 4.062 . 0 0 "[ . 1 . 2]" 1
135 1 95 PHE H 1 96 ARG QB 6.730 . 7.230 4.355 4.180 4.537 . 0 0 "[ . 1 . 2]" 1
136 1 92 VAL MG2 1 96 ARG HG3 . . 6.440 5.006 4.641 5.382 . 0 0 "[ . 1 . 2]" 1
137 1 97 ALA HA 1 100 GLU HG2 . . 5.010 3.169 2.841 3.373 . 0 0 "[ . 1 . 2]" 1
138 1 97 ALA HA 1 101 CYS H 6.000 . 6.500 3.816 3.588 3.973 . 0 0 "[ . 1 . 2]" 1
139 1 97 ALA MB 1 101 CYS HB3 5.670 . 6.170 4.697 4.475 4.753 . 0 0 "[ . 1 . 2]" 1
140 1 96 ARG QB 1 97 ALA MB 5.700 . 6.200 3.975 3.778 4.192 . 0 0 "[ . 1 . 2]" 1
141 1 95 PHE H 1 97 ALA MB 5.690 . 6.190 4.795 4.643 4.833 . 0 0 "[ . 1 . 2]" 1
142 1 100 GLU HG2 1 101 CYS HB3 5.890 . 6.390 5.679 5.007 5.991 . 0 0 "[ . 1 . 2]" 1
143 1 100 GLU H 1 100 GLU HG3 4.680 . 5.180 4.456 4.374 4.519 . 0 0 "[ . 1 . 2]" 1
144 1 100 GLU HA 1 101 CYS HA 5.360 . 5.860 4.692 4.650 4.751 . 0 0 "[ . 1 . 2]" 1
145 1 103 GLN HB2 1 104 LYS H 5.370 . 5.870 4.177 4.037 4.403 . 0 0 "[ . 1 . 2]" 1
146 1 105 TYR HA 1 106 PRO HG2 4.420 . 4.920 4.404 4.205 4.461 . 0 0 "[ . 1 . 2]" 1
147 1 105 TYR HB2 1 108 LEU HB2 5.470 . 5.970 5.050 4.531 5.662 . 0 0 "[ . 1 . 2]" 1
148 1 105 TYR H 1 106 PRO HA 5.240 . 5.740 4.760 4.404 5.196 . 0 0 "[ . 1 . 2]" 1
149 1 105 TYR QD 1 106 PRO HD3 . . 5.380 4.214 4.020 4.367 . 0 0 "[ . 1 . 2]" 1
150 1 108 LEU MD2 1 109 TYR H 6.170 . 6.670 4.368 3.451 5.204 . 0 0 "[ . 1 . 2]" 1
151 1 108 LEU HG 1 109 TYR H 5.490 . 5.990 5.225 4.124 5.603 . 0 0 "[ . 1 . 2]" 1
152 1 108 LEU H 1 108 LEU HG 4.650 . 5.150 4.146 2.099 4.809 . 0 0 "[ . 1 . 2]" 1
153 1 105 TYR QD 1 106 PRO HD2 5.870 . 6.370 3.566 3.239 3.855 . 0 0 "[ . 1 . 2]" 1
154 1 107 ASP HB2 1 109 TYR H 6.000 . 6.500 5.690 5.262 5.994 . 0 0 "[ . 1 . 2]" 1
155 1 107 ASP HB2 1 108 LEU HA 6.000 . 6.500 5.382 3.703 6.015 . 0 0 "[ . 1 . 2]" 1
156 1 105 TYR H 1 106 PRO HD3 4.790 . 5.290 4.260 3.844 4.645 . 0 0 "[ . 1 . 2]" 1
157 1 105 TYR QD 1 106 PRO HG2 6.730 . 7.230 5.740 5.304 6.007 . 0 0 "[ . 1 . 2]" 1
158 1 105 TYR QD 1 106 PRO HG3 6.670 . 7.170 5.944 5.779 6.008 . 0 0 "[ . 1 . 2]" 1
159 1 105 TYR HA 1 108 LEU HG 5.340 . 5.840 3.995 2.897 5.133 . 0 0 "[ . 1 . 2]" 1
160 1 104 LYS HG3 1 105 TYR QD 6.730 . 7.230 4.862 3.896 5.525 . 0 0 "[ . 1 . 2]" 1
161 1 103 GLN HB2 1 104 LYS HA 6.000 . 6.500 5.136 4.892 5.256 . 0 0 "[ . 1 . 2]" 1
162 1 103 GLN HB3 1 104 LYS HA 6.000 . 6.500 5.987 5.784 6.031 . 0 0 "[ . 1 . 2]" 1
163 1 100 GLU HA 1 103 GLN HB3 5.890 . 6.390 3.940 3.783 4.190 . 0 0 "[ . 1 . 2]" 1
164 1 100 GLU HA 1 103 GLN HB2 4.690 . 5.190 4.748 4.711 4.800 . 0 0 "[ . 1 . 2]" 1
165 1 103 GLN HB3 1 104 LYS H 5.210 . 5.710 4.164 4.089 4.318 . 0 0 "[ . 1 . 2]" 1
166 1 102 MET H 1 103 GLN HB2 5.600 . 6.100 5.892 5.845 5.933 . 0 0 "[ . 1 . 2]" 1
167 1 100 GLU HA 1 103 GLN HG2 5.190 . 5.690 2.301 2.224 2.415 . 0 0 "[ . 1 . 2]" 1
168 1 102 MET H 1 102 MET HG3 . . 5.130 2.635 2.496 2.841 . 0 0 "[ . 1 . 2]" 1
169 1 101 CYS HA 1 104 LYS H . . 4.530 3.898 3.659 4.037 . 0 0 "[ . 1 . 2]" 1
170 1 101 CYS HA 1 104 LYS HG2 5.180 . 5.680 4.112 2.767 5.061 . 0 0 "[ . 1 . 2]" 1
171 1 101 CYS HB2 1 102 MET HA 5.590 . 6.090 5.602 5.537 5.650 . 0 0 "[ . 1 . 2]" 1
172 1 101 CYS HB3 1 102 MET HA 5.770 . 6.270 4.345 4.173 4.489 . 0 0 "[ . 1 . 2]" 1
173 1 55 TRP HE3 1 73 LYS HD3 6.000 . 6.500 3.566 3.190 3.792 . 0 0 "[ . 1 . 2]" 1
174 1 77 SER HA 1 81 TYR QE . . 5.150 4.045 3.659 4.189 . 0 0 "[ . 1 . 2]" 1
175 1 96 ARG H 1 97 ALA MB 7.210 . 7.710 4.530 4.416 4.676 . 0 0 "[ . 1 . 2]" 1
176 1 101 CYS HA 1 102 MET HB2 6.000 . 6.500 5.915 5.855 5.980 . 0 0 "[ . 1 . 2]" 1
177 1 78 CYS HB3 1 94 GLN HB3 6.000 . 6.500 4.324 4.221 4.441 . 0 0 "[ . 1 . 2]" 1
178 1 107 ASP HB2 1 108 LEU HB2 5.940 . 6.440 5.785 5.063 6.008 . 0 0 "[ . 1 . 2]" 1
179 1 107 ASP HB3 1 108 LEU HB2 5.890 . 6.390 5.282 4.539 5.925 . 0 0 "[ . 1 . 2]" 1
180 1 92 VAL MG1 1 96 ARG H 6.570 . 7.070 5.139 4.765 5.477 . 0 0 "[ . 1 . 2]" 1
181 1 92 VAL MG1 1 94 GLN H 6.770 . 7.270 5.042 4.609 5.554 . 0 0 "[ . 1 . 2]" 1
182 1 92 VAL MG2 1 96 ARG H 7.210 . 7.710 3.782 3.103 4.459 . 0 0 "[ . 1 . 2]" 1
183 1 92 VAL MG2 1 94 GLN H . . 6.860 4.894 4.670 5.188 . 0 0 "[ . 1 . 2]" 1
184 1 92 VAL MG2 1 95 PHE QD . . 7.910 4.602 3.941 5.504 . 0 0 "[ . 1 . 2]" 1
185 1 92 VAL MG1 1 95 PHE QD 6.820 . 7.320 4.795 4.009 5.104 . 0 0 "[ . 1 . 2]" 1
186 1 91 CYS HA 1 92 VAL MG1 . . 6.960 4.554 4.225 4.788 . 0 0 "[ . 1 . 2]" 1
187 1 92 VAL MG2 1 96 ARG HA 7.210 . 7.710 4.936 4.193 5.750 . 0 0 "[ . 1 . 2]" 1
188 1 91 CYS HA 1 92 VAL HA 6.000 . 6.500 4.846 4.773 4.909 . 0 0 "[ . 1 . 2]" 1
189 1 92 VAL HA 1 96 ARG H 6.000 . 6.500 3.897 3.688 4.010 . 0 0 "[ . 1 . 2]" 1
190 1 91 CYS HA 1 94 GLN H 4.770 . 5.270 4.109 3.891 4.377 . 0 0 "[ . 1 . 2]" 1
191 1 91 CYS HA 1 93 ASP H 5.010 . 5.360 3.919 3.692 4.097 . 0 0 "[ . 1 . 2]" 1
192 1 91 CYS HA 1 94 GLN HE21 4.420 . 4.920 2.825 2.465 3.280 . 0 0 "[ . 1 . 2]" 1
193 1 84 GLU QG 1 90 ASP HB2 6.020 . 6.520 3.108 2.400 4.827 . 0 0 "[ . 1 . 2]" 1
194 1 84 GLU QG 1 90 ASP HB3 5.940 . 6.440 3.308 2.413 4.520 . 0 0 "[ . 1 . 2]" 1
195 1 84 GLU HB2 1 90 ASP HB3 5.280 . 5.780 4.611 3.869 5.296 . 0 0 "[ . 1 . 2]" 1
196 1 86 ILE MG 1 89 SER HB3 5.370 . 5.870 3.248 2.344 4.500 . 0 0 "[ . 1 . 2]" 1
197 1 89 SER HA 1 92 VAL MG1 . . 5.650 3.652 2.179 4.313 . 0 0 "[ . 1 . 2]" 1
198 1 89 SER HA 1 92 VAL MG2 6.880 . 7.380 5.065 4.185 5.738 . 0 0 "[ . 1 . 2]" 1
199 1 86 ILE MG 1 89 SER HA 7.210 . 7.710 3.559 2.260 4.185 . 0 0 "[ . 1 . 2]" 1
200 1 88 GLY H 1 89 SER HA 6.000 . 6.500 5.378 5.156 5.532 . 0 0 "[ . 1 . 2]" 1
201 1 88 GLY HA3 1 95 PHE QE 6.730 . 7.230 2.593 2.229 3.333 . 0 0 "[ . 1 . 2]" 1
202 1 79 PHE QE 1 87 LYS HA 6.410 . 6.910 3.313 3.061 3.726 . 0 0 "[ . 1 . 2]" 1
203 1 86 ILE HA 1 87 LYS HB2 5.500 . 6.000 4.897 4.227 5.273 . 0 0 "[ . 1 . 2]" 1
204 1 87 LYS HG3 1 95 PHE QD 6.730 . 7.230 5.998 5.657 6.072 . 0 0 "[ . 1 . 2]" 1
205 1 79 PHE QE 1 87 LYS HD3 6.090 . 6.590 3.053 2.576 3.690 . 0 0 "[ . 1 . 2]" 1
206 1 79 PHE QE 1 87 LYS HD2 6.270 . 6.770 3.512 3.003 4.809 . 0 0 "[ . 1 . 2]" 1
207 1 79 PHE HZ 1 87 LYS HD3 5.490 . 5.990 3.326 2.919 4.554 . 0 0 "[ . 1 . 2]" 1
208 1 79 PHE HZ 1 87 LYS HE3 5.390 . 5.890 3.419 2.448 4.774 . 0 0 "[ . 1 . 2]" 1
209 1 79 PHE QD 1 87 LYS HE3 6.720 . 7.220 4.610 3.853 6.005 . 0 0 "[ . 1 . 2]" 1
210 1 79 PHE QD 1 87 LYS HE2 6.300 . 6.800 4.891 3.349 5.642 . 0 0 "[ . 1 . 2]" 1
211 1 79 PHE HZ 1 87 LYS HE2 5.620 . 6.120 3.769 2.241 5.309 . 0 0 "[ . 1 . 2]" 1
212 1 84 GLU HA 1 86 ILE H 5.560 . 6.060 5.387 4.767 5.627 . 0 0 "[ . 1 . 2]" 1
213 1 80 HIS H 1 82 SER HB2 5.770 . 6.270 5.657 5.463 5.847 . 0 0 "[ . 1 . 2]" 1
214 1 79 PHE H 1 82 SER HB2 5.840 . 6.340 4.961 4.706 5.200 . 0 0 "[ . 1 . 2]" 1
215 1 80 HIS H 1 82 SER HB3 5.800 . 6.300 5.213 4.990 5.567 . 0 0 "[ . 1 . 2]" 1
216 1 81 TYR HB2 1 82 SER H . . 4.310 3.373 2.944 3.736 . 0 0 "[ . 1 . 2]" 1
217 1 81 TYR HB3 1 82 SER H . . 5.200 4.072 3.715 4.317 . 0 0 "[ . 1 . 2]" 1
218 1 80 HIS HB2 1 81 TYR H . . 4.460 3.263 2.724 3.916 . 0 0 "[ . 1 . 2]" 1
219 1 80 HIS HB3 1 81 TYR H 6.000 . 6.500 3.335 2.557 3.884 . 0 0 "[ . 1 . 2]" 1
220 1 53 ILE MD 1 80 HIS HB3 5.930 . 6.430 3.500 2.705 3.963 . 0 0 "[ . 1 . 2]" 1
221 1 53 ILE MD 1 80 HIS HA 7.000 . 7.500 4.866 4.309 5.442 . 0 0 "[ . 1 . 2]" 1
222 1 79 PHE HB3 1 82 SER HB3 6.000 . 6.500 5.282 4.960 5.810 . 0 0 "[ . 1 . 2]" 1
223 1 79 PHE HB2 1 87 LYS HD3 5.290 . 5.790 4.995 4.267 5.326 . 0 0 "[ . 1 . 2]" 1
224 1 79 PHE HB3 1 87 LYS HD3 6.000 . 6.500 5.486 4.397 6.010 . 0 0 "[ . 1 . 2]" 1
225 1 79 PHE HA 1 82 SER H 5.060 . 5.560 3.273 3.027 3.506 . 0 0 "[ . 1 . 2]" 1
226 1 75 ALA HA 1 78 CYS HB2 4.920 . 5.420 3.838 3.597 4.038 . 0 0 "[ . 1 . 2]" 1
227 1 78 CYS HB2 1 94 GLN HG3 6.000 . 6.500 4.669 4.518 4.782 . 0 0 "[ . 1 . 2]" 1
228 1 71 GLN HG2 1 101 CYS HB2 5.360 . 5.860 3.843 3.486 5.265 . 0 0 "[ . 1 . 2]" 1
229 1 78 CYS HB3 1 94 GLN HG3 5.060 . 5.560 5.089 5.060 5.117 . 0 0 "[ . 1 . 2]" 1
230 1 78 CYS HB2 1 94 GLN HB3 5.870 . 6.370 4.657 4.509 4.818 . 0 0 "[ . 1 . 2]" 1
231 1 75 ALA HA 1 78 CYS HB3 5.380 . 5.880 2.943 2.823 3.062 . 0 0 "[ . 1 . 2]" 1
232 1 78 CYS HB3 1 79 PHE H . . 4.600 2.682 2.519 2.798 . 0 0 "[ . 1 . 2]" 1
233 1 78 CYS HB2 1 79 PHE H 5.810 . 6.310 3.908 3.805 4.019 . 0 0 "[ . 1 . 2]" 1
234 1 78 CYS HB2 1 80 HIS H 6.000 . 6.500 6.061 5.970 6.130 . 0 0 "[ . 1 . 2]" 1
235 1 78 CYS HB3 1 80 HIS H 5.740 . 6.190 5.401 5.273 5.507 . 0 0 "[ . 1 . 2]" 1
236 1 78 CYS HA 1 81 TYR HB3 6.000 . 6.500 4.449 4.025 5.135 . 0 0 "[ . 1 . 2]" 1
237 1 53 ILE MG 1 77 SER HA 7.210 . 7.710 5.974 5.618 6.051 . 0 0 "[ . 1 . 2]" 1
238 1 77 SER HA 1 79 PHE H 5.250 . 5.250 4.607 4.493 4.779 . 0 0 "[ . 1 . 2]" 1
239 1 77 SER QB 1 81 TYR QD . . 5.700 3.671 2.849 4.130 . 0 0 "[ . 1 . 2]" 1
240 1 77 SER QB 1 78 CYS H . . 4.330 2.999 2.356 3.463 . 0 0 "[ . 1 . 2]" 1
241 1 76 PHE QD 1 77 SER QB 7.560 . 8.060 5.903 5.438 6.034 . 0 0 "[ . 1 . 2]" 1
242 1 76 PHE HA 1 79 PHE HB3 5.220 . 5.720 2.277 2.136 2.572 . 0 0 "[ . 1 . 2]" 1
243 1 76 PHE HA 1 79 PHE H . . 5.040 3.249 3.059 3.453 . 0 0 "[ . 1 . 2]" 1
244 1 75 ALA HA 1 94 GLN H 6.000 . 6.500 4.766 4.650 4.893 . 0 0 "[ . 1 . 2]" 1
245 1 75 ALA HA 1 91 CYS HB2 5.900 . 6.400 5.194 4.960 5.472 . 0 0 "[ . 1 . 2]" 1
246 1 75 ALA HA 1 94 GLN HB3 4.390 . 4.890 2.267 2.181 2.383 . 0 0 "[ . 1 . 2]" 1
247 1 75 ALA HA 1 94 GLN HB2 3.760 . 4.260 2.418 2.351 2.526 . 0 0 "[ . 1 . 2]" 1
248 1 75 ALA HA 1 95 PHE QE 5.800 . 6.300 3.587 3.209 4.258 . 0 0 "[ . 1 . 2]" 1
249 1 73 LYS H 1 74 SER HB2 . . 5.460 5.031 4.971 5.073 . 0 0 "[ . 1 . 2]" 1
250 1 73 LYS H 1 74 SER HB3 5.490 . 5.990 4.789 4.636 5.054 . 0 0 "[ . 1 . 2]" 1
251 1 73 LYS HB3 1 74 SER HB2 5.450 . 5.950 4.906 4.663 5.145 . 0 0 "[ . 1 . 2]" 1
252 1 73 LYS HB2 1 74 SER HB3 5.420 . 5.920 4.451 4.247 4.582 . 0 0 "[ . 1 . 2]" 1
253 1 73 LYS HB3 1 74 SER HB3 5.820 . 6.320 5.742 5.584 5.836 . 0 0 "[ . 1 . 2]" 1
254 1 74 SER HB3 1 94 GLN HB3 5.330 . 5.830 3.564 3.113 3.806 . 0 0 "[ . 1 . 2]" 1
255 1 70 GLU HG2 1 74 SER HB3 6.000 . 6.500 6.052 6.005 6.098 . 0 0 "[ . 1 . 2]" 1
256 1 74 SER HB2 1 94 GLN HB3 5.560 . 6.060 5.000 4.712 5.300 . 0 0 "[ . 1 . 2]" 1
257 1 73 LYS HB2 1 74 SER HB2 5.970 . 6.470 3.675 3.439 3.887 . 0 0 "[ . 1 . 2]" 1
258 1 74 SER HB3 1 94 GLN HG2 6.000 . 6.500 4.126 3.645 4.433 . 0 0 "[ . 1 . 2]" 1
259 1 74 SER HB2 1 94 GLN HG2 5.190 . 5.690 4.837 4.538 5.111 . 0 0 "[ . 1 . 2]" 1
260 1 74 SER HA 1 77 SER H 4.900 . 5.400 4.126 3.865 4.446 . 0 0 "[ . 1 . 2]" 1
261 1 73 LYS HB2 1 74 SER HA . . 5.150 4.080 3.975 4.176 . 0 0 "[ . 1 . 2]" 1
262 1 82 SER HA 1 84 GLU H 5.170 . 5.670 4.397 4.183 4.676 . 0 0 "[ . 1 . 2]" 1
263 1 70 GLU HA 1 73 LYS HB3 . . 4.240 3.815 3.779 3.841 . 0 0 "[ . 1 . 2]" 1
264 1 70 GLU HA 1 73 LYS HB2 5.020 . 5.520 2.435 2.301 2.551 . 0 0 "[ . 1 . 2]" 1
265 1 70 GLU HB3 1 73 LYS HB2 5.970 . 6.470 4.530 3.892 4.871 . 0 0 "[ . 1 . 2]" 1
266 1 55 TRP HB3 1 73 LYS QE 6.320 . 6.820 2.538 2.093 2.937 . 0 0 "[ . 1 . 2]" 1
267 1 55 TRP HE3 1 73 LYS QE 5.890 . 6.390 3.633 3.349 3.897 . 0 0 "[ . 1 . 2]" 1
268 1 55 TRP HZ2 1 73 LYS QE 6.390 . 6.890 4.839 4.658 5.166 . 0 0 "[ . 1 . 2]" 1
269 1 53 ILE MG 1 73 LYS QE 7.760 . 8.260 4.978 4.662 5.256 . 0 0 "[ . 1 . 2]" 1
270 1 72 PHE HB2 1 73 LYS QE 6.730 . 7.230 5.836 5.530 6.031 . 0 0 "[ . 1 . 2]" 1
271 1 64 ALA HA 1 72 PHE HB2 5.280 . 5.780 3.209 3.014 3.466 . 0 0 "[ . 1 . 2]" 1
272 1 64 ALA HA 1 72 PHE HB3 4.940 . 5.440 2.212 2.043 2.504 . 0 0 "[ . 1 . 2]" 1
273 1 69 GLY HA2 1 72 PHE HB2 5.520 . 6.020 3.483 3.177 3.984 . 0 0 "[ . 1 . 2]" 1
274 1 72 PHE HA 1 72 PHE QD 4.270 . 4.290 2.378 2.023 3.089 . 0 0 "[ . 1 . 2]" 1
275 1 72 PHE HA 1 74 SER H 6.000 . 6.500 4.565 4.457 4.671 . 0 0 "[ . 1 . 2]" 1
276 1 72 PHE HA 1 75 ALA MB 6.520 . 7.020 2.515 2.345 2.685 . 0 0 "[ . 1 . 2]" 1
277 1 71 GLN HG2 1 97 ALA MB 5.550 . 6.050 4.612 3.956 4.679 . 0 0 "[ . 1 . 2]" 1
278 1 71 GLN HG3 1 97 ALA MB 5.560 . 6.060 3.545 3.268 4.710 . 0 0 "[ . 1 . 2]" 1
279 1 71 GLN HG3 1 101 CYS HB3 5.030 . 5.530 2.481 2.234 4.041 . 0 0 "[ . 1 . 2]" 1
280 1 71 GLN HG2 1 101 CYS HB3 5.050 . 5.550 3.513 2.940 5.077 . 0 0 "[ . 1 . 2]" 1
281 1 71 GLN HB3 1 98 MET HA 4.540 . 5.040 2.594 2.340 2.808 . 0 0 "[ . 1 . 2]" 1
282 1 78 CYS HB2 1 94 GLN HG2 5.070 . 5.570 2.958 2.813 3.058 . 0 0 "[ . 1 . 2]" 1
283 1 64 ALA MB 1 69 GLY HA2 5.660 . 6.160 4.318 4.057 4.563 . 0 0 "[ . 1 . 2]" 1
284 1 69 GLY HA2 1 70 GLU HG2 6.000 . 6.500 5.559 5.134 6.103 . 0 0 "[ . 1 . 2]" 1
285 1 69 GLY HA3 1 72 PHE HB3 5.860 . 6.360 4.796 4.580 5.015 . 0 0 "[ . 1 . 2]" 1
286 1 69 GLY HA2 1 72 PHE QD 6.630 . 7.130 5.022 4.550 5.291 . 0 0 "[ . 1 . 2]" 1
287 1 68 CYS HB2 1 71 GLN HG2 5.340 . 5.840 4.013 3.832 5.199 . 0 0 "[ . 1 . 2]" 1
288 1 68 CYS HA 1 69 GLY HA2 6.000 . 6.500 4.915 4.858 5.001 . 0 0 "[ . 1 . 2]" 1
289 1 68 CYS HA 1 71 GLN HG3 5.100 . 5.600 3.690 2.706 4.144 . 0 0 "[ . 1 . 2]" 1
290 1 67 PRO HG2 1 109 TYR QD 4.730 . 5.230 3.131 2.200 3.857 . 0 0 "[ . 1 . 2]" 1
291 1 67 PRO HG2 1 109 TYR HB2 4.940 . 5.440 4.967 4.794 5.036 . 0 0 "[ . 1 . 2]" 1
292 1 67 PRO HG3 1 109 TYR HB2 5.880 . 6.380 5.280 4.545 5.914 . 0 0 "[ . 1 . 2]" 1
293 1 67 PRO HB3 1 109 TYR QE 6.700 . 7.200 5.556 4.608 6.009 . 0 0 "[ . 1 . 2]" 1
294 1 67 PRO HB3 1 109 TYR QD 5.690 . 6.190 4.981 4.469 5.122 . 0 0 "[ . 1 . 2]" 1
295 1 67 PRO HB2 1 109 TYR QD 6.730 . 7.230 5.032 4.222 5.637 . 0 0 "[ . 1 . 2]" 1
296 1 66 GLY HA3 1 67 PRO HD2 4.020 . 4.520 2.254 2.084 2.567 . 0 0 "[ . 1 . 2]" 1
297 1 66 GLY HA2 1 67 PRO HD2 4.000 . 4.110 2.401 2.107 2.953 . 0 0 "[ . 1 . 2]" 1
298 1 66 GLY HA2 1 67 PRO HG2 6.000 . 6.500 4.460 4.155 4.702 . 0 0 "[ . 1 . 2]" 1
299 1 66 GLY HA3 1 108 LEU MD1 7.210 . 7.710 4.947 3.905 6.032 . 0 0 "[ . 1 . 2]" 1
300 1 65 SER QB 1 66 GLY HA2 4.820 . 5.320 3.920 3.773 4.078 . 0 0 "[ . 1 . 2]" 1
301 1 65 SER QB 1 66 GLY HA3 4.930 . 5.430 4.094 3.792 4.434 . 0 0 "[ . 1 . 2]" 1
302 1 64 ALA H 1 65 SER QB 6.030 . 6.530 4.718 4.387 5.009 . 0 0 "[ . 1 . 2]" 1
303 1 64 ALA MB 1 65 SER QB . . 7.620 4.814 4.631 5.000 . 0 0 "[ . 1 . 2]" 1
304 1 65 SER HA 1 69 GLY HA2 6.000 . 6.500 4.167 3.434 5.039 . 0 0 "[ . 1 . 2]" 1
305 1 65 SER HA 1 69 GLY HA3 6.000 . 6.500 3.296 2.729 3.904 . 0 0 "[ . 1 . 2]" 1
306 1 64 ALA MB 1 73 LYS H 4.720 . 5.220 3.916 3.819 3.972 . 0 0 "[ . 1 . 2]" 1
307 1 64 ALA HA 1 73 LYS HG2 6.000 . 6.500 3.995 3.719 4.618 . 0 0 "[ . 1 . 2]" 1
308 1 61 GLY HA3 1 64 ALA H 5.860 . 6.360 4.829 4.289 5.384 . 0 0 "[ . 1 . 2]" 1
309 1 60 LEU H 1 61 GLY HA3 5.530 . 6.030 4.875 4.412 5.139 . 0 0 "[ . 1 . 2]" 1
310 1 61 GLY HA3 1 63 MET H 5.660 . 6.160 4.759 4.367 5.131 . 0 0 "[ . 1 . 2]" 1
311 1 61 GLY HA2 1 64 ALA H 5.320 . 5.820 3.657 3.059 4.293 . 0 0 "[ . 1 . 2]" 1
312 1 60 LEU MD1 1 72 PHE HZ 6.510 . 7.010 4.621 3.255 5.438 . 0 0 "[ . 1 . 2]" 1
313 1 60 LEU MD1 1 72 PHE QD 6.960 . 7.460 5.115 4.853 5.235 . 0 0 "[ . 1 . 2]" 1
314 1 60 LEU MD1 1 72 PHE QE 7.020 . 7.520 3.738 3.158 4.207 . 0 0 "[ . 1 . 2]" 1
315 1 55 TRP HZ3 1 60 LEU MD1 5.600 . 6.100 4.060 3.456 4.720 . 0 0 "[ . 1 . 2]" 1
316 1 53 ILE HG13 1 60 LEU MD1 6.030 . 6.530 3.729 3.272 5.027 . 0 0 "[ . 1 . 2]" 1
317 1 60 LEU MD1 1 64 ALA MB 6.610 . 7.110 4.625 4.563 4.693 . 0 0 "[ . 1 . 2]" 1
318 1 60 LEU HG 1 64 ALA MB 6.060 . 6.560 4.609 3.804 5.092 . 0 0 "[ . 1 . 2]" 1
319 1 60 LEU HG 1 72 PHE QD 6.060 . 6.560 4.540 3.962 5.004 . 0 0 "[ . 1 . 2]" 1
320 1 60 LEU HG 1 76 PHE QE 5.940 . 6.440 4.527 3.513 5.288 . 0 0 "[ . 1 . 2]" 1
321 1 97 ALA MB 1 101 CYS HB2 5.520 . 6.020 4.095 3.808 4.392 . 0 0 "[ . 1 . 2]" 1
322 1 55 TRP HA 1 56 ASN HB3 5.570 . 6.070 5.515 4.831 5.689 . 0 0 "[ . 1 . 2]" 1
323 1 55 TRP HB3 1 64 ALA MB . . 5.360 2.505 2.120 2.740 . 0 0 "[ . 1 . 2]" 1
324 1 54 ASN HA 1 55 TRP HB3 6.000 . 6.500 5.683 5.471 5.845 . 0 0 "[ . 1 . 2]" 1
325 1 53 ILE MG 1 54 ASN HB2 . . 6.930 4.561 4.360 4.746 . 0 0 "[ . 1 . 2]" 1
326 1 53 ILE MG 1 54 ASN HB3 . . 6.700 4.020 3.761 4.318 . 0 0 "[ . 1 . 2]" 1
327 1 53 ILE MD 1 77 SER HA . . 5.780 2.451 2.175 3.197 . 0 0 "[ . 1 . 2]" 1
328 1 53 ILE MD 1 77 SER H 6.650 . 7.110 3.188 3.010 3.841 . 0 0 "[ . 1 . 2]" 1
329 1 53 ILE HG12 1 54 ASN H . . 5.560 5.160 5.066 5.284 . 0 0 "[ . 1 . 2]" 1
330 1 53 ILE MG 1 55 TRP HZ2 . . 5.700 4.349 3.858 4.415 . 0 0 "[ . 1 . 2]" 1
331 1 53 ILE MG 1 55 TRP HH2 6.030 . 6.380 3.774 3.551 3.979 . 0 0 "[ . 1 . 2]" 1
332 1 52 ASN HD21 1 53 ILE MG 7.210 . 7.710 5.442 4.415 6.049 . 0 0 "[ . 1 . 2]" 1
333 1 53 ILE HB 1 55 TRP HH2 6.000 . 6.500 3.779 3.505 4.381 . 0 0 "[ . 1 . 2]" 1
334 1 53 ILE HB 1 55 TRP HZ2 . . 5.300 3.476 3.221 4.304 . 0 0 "[ . 1 . 2]" 1
335 1 53 ILE HB 1 54 ASN H . . 4.980 3.300 2.596 4.345 . 0 0 "[ . 1 . 2]" 1
336 1 53 ILE MD 1 55 TRP HE1 . . 7.110 4.689 4.254 5.426 . 0 0 "[ . 1 . 2]" 1
337 1 53 ILE HB 1 55 TRP HE1 . . 5.410 4.040 3.768 4.915 . 0 0 "[ . 1 . 2]" 1
338 1 51 GLY HA2 1 52 ASN HA 6.000 . 6.500 4.838 4.577 5.290 . 0 0 "[ . 1 . 2]" 1
339 1 51 GLY HA3 1 52 ASN HA 6.000 . 6.500 4.581 4.382 4.857 . 0 0 "[ . 1 . 2]" 1
340 1 52 ASN HB3 1 53 ILE HB 6.000 . 6.500 4.959 3.791 5.980 . 0 0 "[ . 1 . 2]" 1
341 1 52 ASN HB3 1 53 ILE MG 7.210 . 7.710 5.435 3.465 6.087 . 0 0 "[ . 1 . 2]" 1
342 1 55 TRP HA 1 55 TRP HD1 4.900 . 5.400 4.563 4.409 4.666 . 0 0 "[ . 1 . 2]" 1
343 1 53 ILE MD 1 55 TRP HZ2 5.160 . 5.660 2.935 2.611 3.926 . 0 0 "[ . 1 . 2]" 1
344 1 53 ILE MD 1 55 TRP HZ3 4.800 . 5.300 3.956 2.976 4.044 . 0 0 "[ . 1 . 2]" 1
345 1 53 ILE HB 1 76 PHE HB3 6.000 . 6.500 4.947 4.481 5.362 . 0 0 "[ . 1 . 2]" 1
346 1 53 ILE HB 1 55 TRP HA 6.000 . 6.500 4.760 4.245 5.537 . 0 0 "[ . 1 . 2]" 1
347 1 50 ASN HA 1 51 GLY HA2 5.530 . 6.030 5.233 4.547 5.400 . 0 0 "[ . 1 . 2]" 1
348 1 50 ASN HA 1 51 GLY HA3 6.000 . 6.500 4.696 4.319 4.889 . 0 0 "[ . 1 . 2]" 1
349 1 95 PHE HB3 1 99 GLN H 5.210 . 5.710 4.846 4.593 5.022 . 0 0 "[ . 1 . 2]" 1
350 1 95 PHE HB2 1 96 ARG H . . 5.080 2.579 2.344 2.724 . 0 0 "[ . 1 . 2]" 1
351 1 53 ILE MD 1 55 TRP HE3 7.150 . 7.650 5.076 4.213 5.238 . 0 0 "[ . 1 . 2]" 1
352 1 101 CYS H 1 102 MET HA 5.030 . 5.530 5.143 5.098 5.212 . 0 0 "[ . 1 . 2]" 1
353 1 106 PRO HA 1 108 LEU H 5.240 . 5.740 5.254 4.953 5.438 . 0 0 "[ . 1 . 2]" 1
354 1 105 TYR QE 1 108 LEU MD1 7.790 . 8.290 3.628 2.775 4.777 . 0 0 "[ . 1 . 2]" 1
355 1 108 LEU HG 1 109 TYR QE 6.110 . 6.610 4.600 3.494 5.531 . 0 0 "[ . 1 . 2]" 1
356 1 105 TYR QE 1 108 LEU HG 6.380 . 6.880 4.105 3.539 5.728 . 0 0 "[ . 1 . 2]" 1
357 1 67 PRO HB3 1 69 GLY H 6.000 . 6.300 5.811 5.612 5.928 . 0 0 "[ . 1 . 2]" 1
358 1 69 GLY H 1 70 GLU HB2 6.000 . 6.500 5.866 5.168 6.209 . 0 0 "[ . 1 . 2]" 1
359 1 50 ASN HB2 1 51 GLY H 4.310 . 4.810 3.921 3.605 4.389 . 0 0 "[ . 1 . 2]" 1
360 1 51 GLY H 1 52 ASN HB2 5.350 . 5.850 4.597 3.008 5.053 . 0 0 "[ . 1 . 2]" 1
361 1 50 ASN HB2 1 52 ASN H 4.430 . 4.930 4.434 4.041 4.567 . 0 0 "[ . 1 . 2]" 1
362 1 50 ASN HA 1 52 ASN H 5.110 . 5.610 4.314 3.656 4.764 . 0 0 "[ . 1 . 2]" 1
363 1 50 ASN HD21 1 52 ASN H 4.770 . 5.270 3.942 2.819 4.889 . 0 0 "[ . 1 . 2]" 1
364 1 52 ASN H 1 52 ASN HD22 5.500 . 6.000 5.511 4.932 5.707 . 0 0 "[ . 1 . 2]" 1
365 1 50 ASN HD21 1 52 ASN HD21 6.000 . 6.500 4.730 3.574 6.006 . 0 0 "[ . 1 . 2]" 1
366 1 50 ASN HD22 1 52 ASN HD21 6.000 . 6.500 4.041 2.609 5.399 . 0 0 "[ . 1 . 2]" 1
367 1 52 ASN HD22 1 53 ILE HB 5.520 . 6.020 4.950 3.683 5.642 . 0 0 "[ . 1 . 2]" 1
368 1 52 ASN HB2 1 52 ASN HD22 4.020 . 4.520 3.785 3.361 4.074 . 0 0 "[ . 1 . 2]" 1
369 1 52 ASN HB2 1 53 ILE H 4.000 . 4.500 3.990 3.667 4.156 . 0 0 "[ . 1 . 2]" 1
370 1 52 ASN HB3 1 53 ILE H 4.430 . 4.930 3.230 2.231 3.935 . 0 0 "[ . 1 . 2]" 1
371 1 54 ASN H 1 55 TRP H 4.780 . 5.280 3.690 2.929 4.500 . 0 0 "[ . 1 . 2]" 1
372 1 53 ILE HB 1 55 TRP H 4.990 . 5.490 4.693 4.014 5.139 . 0 0 "[ . 1 . 2]" 1
373 1 55 TRP H 1 56 ASN HB3 5.130 . 5.630 4.890 4.145 5.190 . 0 0 "[ . 1 . 2]" 1
374 1 56 ASN H 1 64 ALA MB 7.210 . 7.710 5.731 5.060 6.035 . 0 0 "[ . 1 . 2]" 1
375 1 61 GLY H 1 62 GLY H 4.780 . 5.280 3.035 2.840 3.321 . 0 0 "[ . 1 . 2]" 1
376 1 60 LEU HG 1 61 GLY H 5.300 . 5.800 5.090 4.748 5.366 . 0 0 "[ . 1 . 2]" 1
377 1 60 LEU HB2 1 63 MET H 5.730 . 6.230 5.643 5.163 5.821 . 0 0 "[ . 1 . 2]" 1
378 1 60 LEU HB3 1 63 MET H 5.830 . 6.330 5.046 4.196 5.775 . 0 0 "[ . 1 . 2]" 1
379 1 65 SER H 1 65 SER HB2 2.860 . 3.360 2.564 2.311 2.827 . 0 0 "[ . 1 . 2]" 1
380 1 65 SER HB2 1 66 GLY H 4.850 . 5.350 3.577 3.124 4.251 . 0 0 "[ . 1 . 2]" 1
381 1 66 GLY HA3 1 68 CYS H 5.120 . 5.620 3.315 2.975 3.594 . 0 0 "[ . 1 . 2]" 1
382 1 67 PRO HD2 1 68 CYS H 4.590 . 5.090 3.404 2.896 3.836 . 0 0 "[ . 1 . 2]" 1
383 1 68 CYS HB2 1 69 GLY H 5.420 . 5.920 3.951 3.796 4.203 . 0 0 "[ . 1 . 2]" 1
384 1 68 CYS H 1 69 GLY H 3.370 . 3.870 2.542 2.144 2.917 . 0 0 "[ . 1 . 2]" 1
385 1 68 CYS HB2 1 70 GLU H 6.000 . 6.500 5.798 5.615 6.037 . 0 0 "[ . 1 . 2]" 1
386 1 70 GLU H 1 73 LYS HG2 5.650 . 6.150 3.997 3.867 4.136 . 0 0 "[ . 1 . 2]" 1
387 1 68 CYS HA 1 70 GLU H 4.270 . 4.770 3.965 3.722 4.209 . 0 0 "[ . 1 . 2]" 1
388 1 69 GLY H 1 70 GLU H 3.400 . 3.900 2.892 2.720 3.197 . 0 0 "[ . 1 . 2]" 1
389 1 70 GLU H 1 71 GLN HG2 4.660 . 5.160 4.467 4.263 4.837 . 0 0 "[ . 1 . 2]" 1
390 1 71 GLN H 1 71 GLN HB3 3.630 . 4.130 3.618 3.570 3.643 . 0 0 "[ . 1 . 2]" 1
391 1 71 GLN HB3 1 72 PHE H 4.500 . 5.000 4.016 3.917 4.142 . 0 0 "[ . 1 . 2]" 1
392 1 71 GLN HG3 1 72 PHE H 4.910 . 5.410 4.883 4.101 4.981 . 0 0 "[ . 1 . 2]" 1
393 1 72 PHE HB2 1 73 LYS H 4.760 . 5.260 3.722 3.619 3.862 . 0 0 "[ . 1 . 2]" 1
394 1 73 LYS H 1 73 LYS HG3 3.990 . 4.490 3.607 3.523 3.688 . 0 0 "[ . 1 . 2]" 1
395 1 73 LYS H 1 74 SER H 3.660 . 4.160 2.835 2.765 2.920 . 0 0 "[ . 1 . 2]" 1
396 1 73 LYS HG3 1 74 SER H 4.870 . 5.370 4.539 4.446 4.621 . 0 0 "[ . 1 . 2]" 1
397 1 71 GLN H 1 74 SER H 6.000 . 6.500 4.724 4.618 4.840 . 0 0 "[ . 1 . 2]" 1
398 1 72 PHE QD 1 76 PHE H 6.580 . 7.080 4.246 3.484 4.561 . 0 0 "[ . 1 . 2]" 1
399 1 75 ALA H 1 76 PHE H 4.000 . 4.500 2.956 2.878 3.027 . 0 0 "[ . 1 . 2]" 1
400 1 73 LYS HA 1 77 SER H 4.980 . 5.480 3.747 3.537 3.863 . 0 0 "[ . 1 . 2]" 1
401 1 76 PHE HA 1 80 HIS H 6.000 . 6.500 3.837 3.701 4.000 . 0 0 "[ . 1 . 2]" 1
402 1 77 SER QB 1 80 HIS H 6.070 . 6.570 4.823 4.646 5.020 . 0 0 "[ . 1 . 2]" 1
403 1 78 CYS HA 1 80 HIS H 5.750 . 6.250 4.663 4.528 4.775 . 0 0 "[ . 1 . 2]" 1
404 1 81 TYR H 1 82 SER HB2 6.000 . 6.500 4.777 4.502 5.067 . 0 0 "[ . 1 . 2]" 1
405 1 80 HIS HA 1 82 SER H 5.870 . 6.370 3.892 3.446 4.270 . 0 0 "[ . 1 . 2]" 1
406 1 53 ILE MD 1 81 TYR H 6.800 . 7.300 5.155 4.714 5.687 . 0 0 "[ . 1 . 2]" 1
407 1 82 SER H 1 83 THR MG 4.850 . 5.350 3.633 3.099 4.000 . 0 0 "[ . 1 . 2]" 1
408 1 80 HIS HA 1 83 THR H 4.410 . 4.910 4.188 3.627 4.694 . 0 0 "[ . 1 . 2]" 1
409 1 83 THR H 1 85 GLU H 5.570 . 6.070 5.452 5.188 5.627 . 0 0 "[ . 1 . 2]" 1
410 1 82 SER HB2 1 84 GLU H 4.630 . 5.130 4.584 4.380 4.712 . 0 0 "[ . 1 . 2]" 1
411 1 84 GLU HB2 1 85 GLU H 3.630 . 4.130 2.495 1.966 3.355 . 0 0 "[ . 1 . 2]" 1
412 1 86 ILE H 1 87 LYS HA 5.270 . 5.770 5.335 5.081 5.587 . 0 0 "[ . 1 . 2]" 1
413 1 84 GLU H 1 86 ILE H 4.820 . 5.320 4.759 4.070 5.244 . 0 0 "[ . 1 . 2]" 1
414 1 85 GLU H 1 86 ILE H 4.300 . 4.400 2.075 1.880 2.422 . 0 0 "[ . 1 . 2]" 1
415 1 87 LYS H 1 88 GLY H 5.100 . 5.600 4.346 4.182 4.583 . 0 0 "[ . 1 . 2]" 1
416 1 87 LYS HB2 1 88 GLY H 5.630 . 6.130 4.469 4.290 4.698 . 0 0 "[ . 1 . 2]" 1
417 1 88 GLY H 1 89 SER H 3.870 . 4.370 2.864 2.581 3.101 . 0 0 "[ . 1 . 2]" 1
418 1 88 GLY H 1 90 ASP H 5.090 . 5.590 4.606 3.942 5.326 . 0 0 "[ . 1 . 2]" 1
419 1 84 GLU HB2 1 89 SER H 5.590 . 5.590 4.110 2.853 4.594 . 0 0 "[ . 1 . 2]" 1
420 1 89 SER H 1 90 ASP H 4.020 . 4.520 2.992 2.854 3.168 . 0 0 "[ . 1 . 2]" 1
421 1 89 SER HB2 1 90 ASP H 4.520 . 5.020 3.824 2.542 4.206 . 0 0 "[ . 1 . 2]" 1
422 1 88 GLY HA2 1 90 ASP H 4.920 . 5.420 3.428 3.063 3.824 . 0 0 "[ . 1 . 2]" 1
423 1 88 GLY HA2 1 91 CYS H 5.550 . 6.050 3.463 2.682 4.215 . 0 0 "[ . 1 . 2]" 1
424 1 91 CYS H 1 92 VAL MG2 6.450 . 6.950 4.856 4.025 5.405 . 0 0 "[ . 1 . 2]" 1
425 1 91 CYS HB3 1 92 VAL H 4.960 . 5.460 4.337 4.268 4.438 . 0 0 "[ . 1 . 2]" 1
426 1 92 VAL H 1 95 PHE QD 5.500 . 6.000 4.542 4.259 4.948 . 0 0 "[ . 1 . 2]" 1
427 1 94 GLN HA 1 94 GLN HE22 5.000 . 5.500 4.984 4.788 5.056 . 0 0 "[ . 1 . 2]" 1
428 1 78 CYS HB2 1 94 GLN HE22 4.710 . 5.210 4.718 4.609 4.758 . 0 0 "[ . 1 . 2]" 1
429 1 94 GLN H 1 95 PHE H 4.220 . 4.720 2.700 2.639 2.817 . 0 0 "[ . 1 . 2]" 1
430 1 94 GLN HB3 1 95 PHE H 4.540 . 5.040 3.522 3.333 3.601 . 0 0 "[ . 1 . 2]" 1
431 1 95 PHE H 1 96 ARG H 4.120 . 4.620 2.673 2.612 2.765 . 0 0 "[ . 1 . 2]" 1
432 1 93 ASP QB 1 97 ALA H 6.090 . 6.590 5.136 5.051 5.269 . 0 0 "[ . 1 . 2]" 1
433 1 94 GLN HA 1 97 ALA H . . 4.970 3.295 3.006 3.525 . 0 0 "[ . 1 . 2]" 1
434 1 95 PHE H 1 97 ALA H 4.590 . 5.090 4.185 4.032 4.329 . 0 0 "[ . 1 . 2]" 1
435 1 96 ARG QB 1 98 MET H 6.530 . 7.030 4.875 4.767 4.980 . 0 0 "[ . 1 . 2]" 1
436 1 97 ALA H 1 98 MET H 3.880 . 4.380 2.885 2.779 3.012 . 0 0 "[ . 1 . 2]" 1
437 1 98 MET QB 1 99 GLN H 5.120 . 5.620 2.469 2.207 2.650 . 0 0 "[ . 1 . 2]" 1
438 1 98 MET HA 1 99 GLN H 3.550 . 4.050 3.625 3.599 3.667 . 0 0 "[ . 1 . 2]" 1
439 1 97 ALA MB 1 100 GLU H 7.210 . 7.710 4.699 4.616 4.848 . 0 0 "[ . 1 . 2]" 1
440 1 103 GLN H 1 104 LYS HG3 6.000 . 6.500 4.981 4.283 6.104 . 0 0 "[ . 1 . 2]" 1
441 1 101 CYS HA 1 103 GLN H 4.580 . 5.080 4.466 4.295 4.561 . 0 0 "[ . 1 . 2]" 1
442 1 102 MET H 1 103 GLN H 3.290 . 3.790 2.503 2.422 2.575 . 0 0 "[ . 1 . 2]" 1
443 1 103 GLN H 1 105 TYR H 5.940 . 6.440 4.530 4.087 4.864 . 0 0 "[ . 1 . 2]" 1
444 1 104 LYS HG3 1 105 TYR H 5.150 . 5.650 4.757 4.044 5.233 . 0 0 "[ . 1 . 2]" 1
445 1 104 LYS HB3 1 105 TYR H 4.020 . 4.520 3.899 3.565 4.101 . 0 0 "[ . 1 . 2]" 1
446 1 104 LYS HG2 1 105 TYR H 5.430 . 5.930 4.916 4.418 5.293 . 0 0 "[ . 1 . 2]" 1
447 1 105 TYR H 1 108 LEU MD1 6.410 . 6.910 5.116 4.632 5.558 . 0 0 "[ . 1 . 2]" 1
448 1 107 ASP H 1 108 LEU HB2 5.620 . 6.070 3.615 2.818 4.672 . 0 0 "[ . 1 . 2]" 1
449 1 107 ASP H 1 108 LEU HA 4.860 . 5.360 4.119 3.654 4.535 . 0 0 "[ . 1 . 2]" 1
450 1 107 ASP HB2 1 108 LEU H 5.230 . 5.730 4.213 3.627 4.529 . 0 0 "[ . 1 . 2]" 1
451 1 107 ASP HB3 1 108 LEU H . . 4.830 4.217 3.792 4.370 . 0 0 "[ . 1 . 2]" 1
452 1 108 LEU H 1 109 TYR HB3 6.000 . 6.500 4.913 4.553 5.972 . 0 0 "[ . 1 . 2]" 1
453 1 108 LEU H 1 109 TYR QE 5.340 . 5.840 3.180 2.666 3.592 . 0 0 "[ . 1 . 2]" 1
454 1 108 LEU HB2 1 109 TYR H . . 5.020 4.367 3.807 4.560 . 0 0 "[ . 1 . 2]" 1
455 1 107 ASP H 1 109 TYR H 4.950 . 5.450 4.624 3.813 5.038 . 0 0 "[ . 1 . 2]" 1
456 1 50 ASN HB3 1 51 GLY H 5.420 . 5.920 2.944 2.129 4.652 . 0 0 "[ . 1 . 2]" 1
457 1 54 ASN H 1 54 ASN HD22 5.950 . 6.450 5.800 5.494 6.110 . 0 0 "[ . 1 . 2]" 1
458 1 60 LEU H 1 60 LEU HG . . 4.930 3.924 2.937 4.476 . 0 0 "[ . 1 . 2]" 1
459 1 60 LEU MD1 1 61 GLY H 7.210 . 7.710 4.366 3.995 4.817 . 0 0 "[ . 1 . 2]" 1
460 1 64 ALA H 1 65 SER H 3.240 . 3.740 2.793 2.449 3.214 . 0 0 "[ . 1 . 2]" 1
461 1 67 PRO HG2 1 69 GLY H 6.000 . 6.500 5.110 4.641 6.103 . 0 0 "[ . 1 . 2]" 1
462 1 68 CYS H 1 70 GLU H 5.820 . 6.320 5.188 4.701 5.619 . 0 0 "[ . 1 . 2]" 1
463 1 70 GLU HB2 1 72 PHE H 6.000 . 6.500 5.723 5.349 5.887 . 0 0 "[ . 1 . 2]" 1
464 1 69 GLY HA3 1 72 PHE H 6.000 . 6.500 4.678 4.561 4.862 . 0 0 "[ . 1 . 2]" 1
465 1 73 LYS H 1 73 LYS HD2 4.680 . 5.180 4.245 4.144 4.431 . 0 0 "[ . 1 . 2]" 1
466 1 73 LYS H 1 73 LYS HD3 4.860 . 5.360 3.188 3.002 3.405 . 0 0 "[ . 1 . 2]" 1
467 1 71 GLN HA 1 73 LYS H 4.980 . 5.480 4.573 4.438 4.700 . 0 0 "[ . 1 . 2]" 1
468 1 71 GLN H 1 73 LYS H 4.930 . 5.430 4.140 4.043 4.244 . 0 0 "[ . 1 . 2]" 1
469 1 73 LYS HA 1 76 PHE H . . 5.360 4.250 4.079 4.444 . 0 0 "[ . 1 . 2]" 1
470 1 77 SER H 1 78 CYS HB3 6.000 . 6.500 5.220 5.080 5.393 . 0 0 "[ . 1 . 2]" 1
471 1 75 ALA HA 1 78 CYS H 4.160 . 4.660 3.827 3.655 3.980 . 0 0 "[ . 1 . 2]" 1
472 1 76 PHE HA 1 78 CYS H 4.930 . 5.430 4.610 4.513 4.731 . 0 0 "[ . 1 . 2]" 1
473 1 77 SER QB 1 79 PHE H 6.730 . 7.230 5.132 4.817 5.354 . 0 0 "[ . 1 . 2]" 1
474 1 80 HIS H 1 82 SER H . . 5.070 3.987 3.888 4.114 . 0 0 "[ . 1 . 2]" 1
475 1 79 PHE HB2 1 80 HIS H 4.930 . 5.430 4.109 4.040 4.173 . 0 0 "[ . 1 . 2]" 1
476 1 78 CYS H 1 81 TYR H 5.380 . 5.880 4.878 4.740 5.010 . 0 0 "[ . 1 . 2]" 1
477 1 78 CYS HA 1 81 TYR H 4.370 . 4.870 3.580 3.228 3.836 . 0 0 "[ . 1 . 2]" 1
478 1 83 THR H 1 84 GLU QG 6.730 . 7.230 4.726 4.072 5.913 . 0 0 "[ . 1 . 2]" 1
479 1 84 GLU H 1 88 GLY H 5.880 . 6.380 5.120 4.100 5.912 . 0 0 "[ . 1 . 2]" 1
480 1 82 SER HB2 1 88 GLY H 5.400 . 5.900 5.343 4.828 5.482 . 0 0 "[ . 1 . 2]" 1
481 1 84 GLU HB2 1 88 GLY H 6.000 . 6.500 5.209 4.556 5.541 . 0 0 "[ . 1 . 2]" 1
482 1 89 SER H 1 91 CYS H 5.700 . 6.200 4.307 4.048 4.573 . 0 0 "[ . 1 . 2]" 1
483 1 86 ILE HB 1 89 SER H 5.460 . 5.960 3.579 3.113 3.920 . 0 0 "[ . 1 . 2]" 1
484 1 88 GLY HA3 1 90 ASP H 5.000 . 5.500 4.509 4.175 4.829 . 0 0 "[ . 1 . 2]" 1
485 1 88 GLY HA3 1 91 CYS H 5.320 . 5.820 3.819 3.472 4.288 . 0 0 "[ . 1 . 2]" 1
486 1 91 CYS H 1 93 ASP H 6.000 . 6.500 4.808 4.545 5.057 . 0 0 "[ . 1 . 2]" 1
487 1 106 PRO HD2 1 108 LEU H 5.940 . 6.440 4.645 3.710 5.583 . 0 0 "[ . 1 . 2]" 1
488 1 78 CYS HB2 1 94 GLN H 6.000 . 6.500 5.971 5.828 6.053 . 0 0 "[ . 1 . 2]" 1
489 1 95 PHE H 1 98 MET H 6.000 . 6.500 4.604 4.479 4.717 . 0 0 "[ . 1 . 2]" 1
490 1 78 CYS HB3 1 94 GLN H 6.000 . 6.500 5.383 5.226 5.528 . 0 0 "[ . 1 . 2]" 1
491 1 96 ARG H 1 97 ALA H 4.740 . 5.090 2.933 2.825 3.009 . 0 0 "[ . 1 . 2]" 1
492 1 96 ARG H 1 98 MET H 6.000 . 6.500 4.224 4.079 4.333 . 0 0 "[ . 1 . 2]" 1
493 1 98 MET H 1 99 GLN H . . 4.730 3.048 2.963 3.208 . 0 0 "[ . 1 . 2]" 1
494 1 97 ALA HA 1 100 GLU H . . 4.670 3.469 3.363 3.670 . 0 0 "[ . 1 . 2]" 1
495 1 100 GLU H 1 101 CYS H . . 4.680 2.850 2.754 3.005 . 0 0 "[ . 1 . 2]" 1
496 1 100 GLU HB3 1 101 CYS H . . 4.790 2.740 2.547 2.883 . 0 0 "[ . 1 . 2]" 1
497 1 101 CYS H 1 103 GLN H 6.000 . 6.500 4.104 3.990 4.280 . 0 0 "[ . 1 . 2]" 1
498 1 95 PHE HB2 1 98 MET H 6.000 . 6.500 5.402 5.306 5.492 . 0 0 "[ . 1 . 2]" 1
499 1 102 MET H 1 104 LYS H 5.230 . 5.730 4.185 4.030 4.319 . 0 0 "[ . 1 . 2]" 1
500 1 104 LYS H 1 105 TYR HA 6.000 . 6.500 5.418 5.261 5.566 . 0 0 "[ . 1 . 2]" 1
501 1 107 ASP H 1 109 TYR QE 5.830 . 6.330 3.880 3.293 4.787 . 0 0 "[ . 1 . 2]" 1
502 1 106 PRO HG2 1 108 LEU H 6.000 . 6.500 4.875 3.956 5.648 . 0 0 "[ . 1 . 2]" 1
503 1 78 CYS HB3 1 94 GLN HE22 4.870 . 5.370 4.811 4.668 4.902 . 0 0 "[ . 1 . 2]" 1
504 1 78 CYS HB3 1 94 GLN HE21 4.840 . 5.340 3.180 2.974 3.532 . 0 0 "[ . 1 . 2]" 1
505 1 86 ILE HG13 1 89 SER H 5.770 . 6.270 5.784 5.573 5.952 . 0 0 "[ . 1 . 2]" 1
506 1 59 CYS HA 1 61 GLY H 4.800 . 5.300 4.320 2.672 4.780 . 0 0 "[ . 1 . 2]" 1
507 1 63 MET HB3 1 72 PHE QD 5.140 . 5.640 2.929 2.200 3.331 . 0 0 "[ . 1 . 2]" 1
508 1 63 MET HB3 1 72 PHE QE 5.750 . 6.250 2.622 2.269 3.170 . 0 0 "[ . 1 . 2]" 1
509 1 63 MET HB2 1 72 PHE QD 5.080 . 5.580 4.329 3.055 4.598 . 0 0 "[ . 1 . 2]" 1
510 1 63 MET HB2 1 72 PHE QE 6.060 . 6.560 3.667 2.858 4.015 . 0 0 "[ . 1 . 2]" 1
511 1 63 MET HA 1 72 PHE QE 5.710 . 6.210 5.136 5.049 5.201 . 0 0 "[ . 1 . 2]" 1
512 1 63 MET HA 1 72 PHE QD 6.290 . 6.790 4.726 4.257 5.188 . 0 0 "[ . 1 . 2]" 1
513 1 53 ILE MG 1 72 PHE QD 7.480 . 7.980 4.868 4.599 5.273 . 0 0 "[ . 1 . 2]" 1
514 1 63 MET HG3 1 72 PHE QD 5.220 . 5.720 3.469 2.246 4.696 . 0 0 "[ . 1 . 2]" 1
515 1 63 MET HG2 1 72 PHE QD 6.080 . 6.580 4.002 3.241 5.437 . 0 0 "[ . 1 . 2]" 1
516 1 71 GLN QG 1 72 PHE H 4.840 . 5.340 3.805 3.695 3.858 . 0 0 "[ . 1 . 2]" 1
517 1 102 MET H 1 103 GLN HG2 5.500 . 6.000 4.989 4.796 5.274 . 0 0 "[ . 1 . 2]" 1
518 1 103 GLN H 1 103 GLN HG2 5.000 . 5.500 3.324 3.164 3.499 . 0 0 "[ . 1 . 2]" 1
519 1 94 GLN HA 1 94 GLN HG3 3.380 . 3.880 2.440 2.400 2.483 . 0 0 "[ . 1 . 2]" 1
520 1 93 ASP HA 1 96 ARG QB 4.140 . 4.640 2.237 2.075 2.535 . 0 0 "[ . 1 . 2]" 1
521 1 104 LYS H 1 104 LYS HB3 3.740 . 4.240 3.631 3.603 3.667 . 0 0 "[ . 1 . 2]" 1
522 1 99 GLN HA 1 102 MET HG3 4.620 . 5.120 4.397 3.976 4.635 . 0 0 "[ . 1 . 2]" 1
523 1 105 TYR HA 1 106 PRO HB3 5.070 . 5.570 4.932 4.817 5.071 . 0 0 "[ . 1 . 2]" 1
524 1 107 ASP HA 1 109 TYR H 4.460 . 4.960 3.647 3.367 4.188 . 0 0 "[ . 1 . 2]" 1
525 1 85 GLU H 1 85 GLU HB3 4.000 . 4.500 3.279 2.969 3.996 . 0 0 "[ . 1 . 2]" 1
526 1 85 GLU HB2 1 86 ILE H 3.690 . 4.190 3.419 2.308 3.752 . 0 0 "[ . 1 . 2]" 1
527 1 73 LYS HB2 1 73 LYS HD3 4.070 . 4.570 3.806 3.734 3.892 . 0 0 "[ . 1 . 2]" 1
528 1 90 ASP HA 1 91 CYS HA 4.950 . 5.450 4.625 4.469 4.763 . 0 0 "[ . 1 . 2]" 1
529 1 63 MET HA 1 64 ALA HA 5.200 . 5.700 4.718 4.623 4.801 . 0 0 "[ . 1 . 2]" 1
530 1 70 GLU HB3 1 71 GLN H 4.070 . 4.570 3.956 3.775 4.119 . 0 0 "[ . 1 . 2]" 1
531 1 70 GLU H 1 70 GLU HB3 3.680 . 4.180 2.679 2.204 3.603 . 0 0 "[ . 1 . 2]" 1
532 1 70 GLU HB2 1 71 GLN H 3.990 . 4.490 3.725 3.107 3.998 . 0 0 "[ . 1 . 2]" 1
533 1 68 CYS HA 1 71 GLN H 4.680 . 5.180 3.399 3.261 3.627 . 0 0 "[ . 1 . 2]" 1
534 1 96 ARG H 1 96 ARG HG3 4.360 . 4.860 4.334 4.188 4.512 . 0 0 "[ . 1 . 2]" 1
535 1 96 ARG HG3 1 97 ALA H 5.130 . 5.630 4.748 3.819 4.950 . 0 0 "[ . 1 . 2]" 1
536 1 107 ASP H 1 108 LEU HG 5.140 . 5.640 4.650 3.055 5.199 . 0 0 "[ . 1 . 2]" 1
537 1 106 PRO HD2 1 107 ASP H 4.280 . 4.780 2.823 2.594 3.134 . 0 0 "[ . 1 . 2]" 1
538 1 105 TYR HA 1 106 PRO HD2 3.360 . 3.860 2.202 2.015 2.297 . 0 0 "[ . 1 . 2]" 1
539 1 105 TYR QB 1 106 PRO HD2 5.380 . 5.880 3.262 2.752 3.542 . 0 0 "[ . 1 . 2]" 1
540 1 53 ILE MG 1 54 ASN HA 6.430 . 6.930 3.696 3.312 4.005 . 0 0 "[ . 1 . 2]" 1
541 1 66 GLY HA3 1 67 PRO HD3 3.620 . 4.120 3.511 2.693 3.684 . 0 0 "[ . 1 . 2]" 1
542 1 104 LYS HA 1 104 LYS HG3 4.000 . 4.500 3.400 2.947 3.912 . 0 0 "[ . 1 . 2]" 1
543 1 104 LYS HA 1 104 LYS HG2 3.760 . 4.260 2.675 2.226 3.272 . 0 0 "[ . 1 . 2]" 1
544 1 108 LEU MD2 1 109 TYR QD 6.350 . 6.850 3.902 3.010 4.593 . 0 0 "[ . 1 . 2]" 1
545 1 105 TYR QB 1 108 LEU MD2 6.340 . 6.840 3.739 2.012 4.266 . 0 0 "[ . 1 . 2]" 1
546 1 69 GLY HA2 1 71 GLN H 5.000 . 5.500 4.304 3.935 4.527 . 0 0 "[ . 1 . 2]" 1
547 1 69 GLY HA3 1 71 GLN H 5.360 . 5.860 4.650 4.472 4.792 . 0 0 "[ . 1 . 2]" 1
548 1 108 LEU MD1 1 109 TYR H 5.840 . 6.340 3.446 2.571 4.048 . 0 0 "[ . 1 . 2]" 1
549 1 92 VAL MG1 1 93 ASP H 5.140 . 5.640 3.105 2.413 4.022 . 0 0 "[ . 1 . 2]" 1
550 1 92 VAL H 1 92 VAL MG1 3.930 . 4.430 2.008 1.856 2.153 . 0 0 "[ . 1 . 2]" 1
551 1 91 CYS HB2 1 92 VAL MG1 6.610 . 7.110 5.003 4.160 5.510 . 0 0 "[ . 1 . 2]" 1
552 1 88 GLY HA2 1 89 SER HA 5.050 . 5.550 4.840 4.709 4.998 . 0 0 "[ . 1 . 2]" 1
553 1 83 THR MG 1 84 GLU H 5.360 . 5.860 4.387 4.325 4.438 . 0 0 "[ . 1 . 2]" 1
554 1 66 GLY HA3 1 67 PRO QG 4.990 . 5.490 3.648 3.328 4.381 . 0 0 "[ . 1 . 2]" 1
555 1 83 THR HB 1 84 GLU H 4.520 . 5.020 4.467 4.400 4.516 . 0 0 "[ . 1 . 2]" 1
556 1 96 ARG H 1 96 ARG QD 5.110 . 5.610 4.490 4.247 4.700 . 0 0 "[ . 1 . 2]" 1
557 1 93 ASP HA 1 96 ARG QD 5.800 . 6.300 3.589 2.797 4.458 . 0 0 "[ . 1 . 2]" 1
558 1 64 ALA MB 1 72 PHE HB2 5.060 . 5.560 4.253 4.214 4.291 . 0 0 "[ . 1 . 2]" 1
559 1 92 VAL HA 1 95 PHE HB2 4.110 . 4.610 2.752 2.505 2.982 . 0 0 "[ . 1 . 2]" 1
560 1 92 VAL HA 1 95 PHE QD 5.230 . 5.730 2.577 2.300 3.128 . 0 0 "[ . 1 . 2]" 1
561 1 108 LEU HB3 1 109 TYR H 4.610 . 5.110 3.702 2.569 4.516 . 0 0 "[ . 1 . 2]" 1
562 1 108 LEU H 1 108 LEU HB3 4.080 . 4.580 2.271 1.985 2.702 . 0 0 "[ . 1 . 2]" 1
563 1 87 LYS HB3 1 87 LYS HE2 5.190 . 5.690 4.444 3.906 5.045 . 0 0 "[ . 1 . 2]" 1
564 1 75 ALA MB 1 77 SER H 6.520 . 7.020 4.639 4.548 4.777 . 0 0 "[ . 1 . 2]" 1
565 1 97 ALA MB 1 100 GLU HG2 4.900 . 5.400 4.122 4.061 4.152 . 0 0 "[ . 1 . 2]" 1
566 1 73 LYS H 1 73 LYS QE 5.480 . 5.980 4.145 3.822 4.283 . 0 0 "[ . 1 . 2]" 1
567 1 70 GLU HA 1 73 LYS QE 4.990 . 5.490 4.324 4.056 4.470 . 0 0 "[ . 1 . 2]" 1
568 1 64 ALA MB 1 73 LYS QE 5.340 . 5.840 2.057 1.879 2.349 . 0 0 "[ . 1 . 2]" 1
569 1 86 ILE MG 1 87 LYS QG 5.540 . 6.040 3.902 3.551 4.211 . 0 0 "[ . 1 . 2]" 1
570 1 91 CYS HB3 1 94 GLN HB3 4.930 . 5.430 4.777 4.593 4.949 . 0 0 "[ . 1 . 2]" 1
571 1 105 TYR QB 1 109 TYR QE 6.640 . 7.140 2.180 1.909 2.666 . 0 0 "[ . 1 . 2]" 1
572 1 105 TYR QB 1 108 LEU MD1 6.120 . 6.620 2.133 1.933 2.438 . 0 0 "[ . 1 . 2]" 1
573 1 53 ILE MG 1 55 TRP HA 5.450 . 5.950 2.651 2.143 2.880 . 0 0 "[ . 1 . 2]" 1
574 1 71 GLN QG 1 101 CYS HB3 5.420 . 5.920 2.431 2.170 3.891 . 0 0 "[ . 1 . 2]" 1
575 1 71 GLN HB3 1 101 CYS HB3 5.200 . 5.700 4.352 4.127 4.638 . 0 0 "[ . 1 . 2]" 1
576 1 71 GLN QE 1 101 CYS HB3 4.500 . 5.000 4.175 3.646 4.408 . 0 0 "[ . 1 . 2]" 1
577 1 74 SER H 1 74 SER HB3 3.380 . 3.880 2.391 2.276 2.554 . 0 0 "[ . 1 . 2]" 1
578 1 74 SER HB3 1 94 GLN HG3 4.660 . 5.160 3.704 3.165 4.074 . 0 0 "[ . 1 . 2]" 1
579 1 52 ASN QB 1 53 ILE H 4.390 . 4.890 3.068 2.212 3.566 . 0 0 "[ . 1 . 2]" 1
580 1 53 ILE HA 1 54 ASN HB3 5.220 . 5.720 4.877 4.615 5.111 . 0 0 "[ . 1 . 2]" 1
581 1 53 ILE HA 1 54 ASN H 3.530 . 4.030 3.072 2.212 3.528 . 0 0 "[ . 1 . 2]" 1
582 1 53 ILE HA 1 54 ASN HB2 4.800 . 5.300 4.810 4.626 4.878 . 0 0 "[ . 1 . 2]" 1
583 1 101 CYS HA 1 102 MET HG3 6.000 . 6.500 5.379 5.175 5.756 . 0 0 "[ . 1 . 2]" 1
584 1 100 GLU H 1 100 GLU HG2 4.680 . 5.180 4.321 4.188 4.386 . 0 0 "[ . 1 . 2]" 1
585 1 100 GLU HA 1 100 GLU HG2 4.120 . 4.620 3.826 3.636 4.080 . 0 0 "[ . 1 . 2]" 1
586 1 101 CYS HA 1 103 GLN HG3 4.720 . 5.220 3.809 3.339 4.311 . 0 0 "[ . 1 . 2]" 1
587 1 93 ASP HA 1 94 GLN HA 5.370 . 5.870 4.813 4.782 4.877 . 0 0 "[ . 1 . 2]" 1
588 1 71 GLN HA 1 71 GLN QG 3.780 . 4.280 3.238 2.231 3.370 . 0 0 "[ . 1 . 2]" 1
589 1 85 GLU HA 1 85 GLU HG2 3.430 . 3.930 3.005 2.463 3.512 . 0 0 "[ . 1 . 2]" 1
590 1 86 ILE HA 1 86 ILE MD 4.560 . 5.060 3.325 2.154 3.816 . 0 0 "[ . 1 . 2]" 1
591 1 87 LYS HA 1 88 GLY HA2 4.830 . 5.330 4.382 4.278 4.514 . 0 0 "[ . 1 . 2]" 1
592 1 96 ARG HA 1 99 GLN H 4.120 . 4.620 3.550 3.256 3.997 . 0 0 "[ . 1 . 2]" 1
593 1 95 PHE HB2 1 96 ARG HA 4.500 . 5.000 4.514 4.482 4.535 . 0 0 "[ . 1 . 2]" 1
594 1 86 ILE HB 1 89 SER HB2 4.160 . 4.660 3.351 2.115 4.198 . 0 0 "[ . 1 . 2]" 1
595 1 81 TYR HA 1 81 TYR QE 5.710 . 6.210 4.627 4.296 4.895 . 0 0 "[ . 1 . 2]" 1
596 1 87 LYS H 1 87 LYS HB2 3.860 . 4.360 2.614 2.168 2.834 . 0 0 "[ . 1 . 2]" 1
597 1 55 TRP H 1 55 TRP HD1 3.920 . 4.420 2.991 2.530 3.465 . 0 0 "[ . 1 . 2]" 1
598 1 54 ASN HA 1 55 TRP H 3.460 . 3.960 2.168 2.041 2.336 . 0 0 "[ . 1 . 2]" 1
599 1 55 TRP H 1 55 TRP HB2 3.920 . 4.420 2.590 2.449 2.704 . 0 0 "[ . 1 . 2]" 1
600 1 55 TRP H 1 55 TRP HB3 3.810 . 4.310 3.619 3.574 3.673 . 0 0 "[ . 1 . 2]" 1
601 1 54 ASN HB3 1 55 TRP H 4.710 . 5.210 4.409 4.161 4.543 . 0 0 "[ . 1 . 2]" 1
602 1 72 PHE H 1 73 LYS HG2 5.500 . 6.000 4.345 4.187 4.466 . 0 0 "[ . 1 . 2]" 1
603 1 71 GLN HB2 1 72 PHE H 5.110 . 5.610 2.805 2.708 2.963 . 0 0 "[ . 1 . 2]" 1
604 1 53 ILE HG13 1 54 ASN H 5.360 . 5.860 4.817 4.329 5.159 . 0 0 "[ . 1 . 2]" 1
605 1 72 PHE QD 1 75 ALA H 6.510 . 7.010 5.197 4.643 5.661 . 0 0 "[ . 1 . 2]" 1
606 1 75 ALA H 1 77 SER H 5.290 . 5.790 4.393 4.237 4.558 . 0 0 "[ . 1 . 2]" 1
607 1 57 SER H 1 57 SER HB2 3.600 . 4.100 3.110 2.416 3.856 . 0 0 "[ . 1 . 2]" 1
608 1 57 SER H 1 57 SER HB3 3.610 . 4.110 3.187 2.278 3.935 . 0 0 "[ . 1 . 2]" 1
609 1 95 PHE H 1 95 PHE HB2 4.070 . 4.570 2.413 2.344 2.480 . 0 0 "[ . 1 . 2]" 1
610 1 93 ASP QB 1 94 GLN H 4.100 . 4.600 2.858 2.610 3.006 . 0 0 "[ . 1 . 2]" 1
611 1 94 GLN H 1 94 GLN HB2 4.110 . 4.610 2.372 2.292 2.437 . 0 0 "[ . 1 . 2]" 1
612 1 85 GLU H 1 85 GLU HB2 4.000 . 4.500 3.338 2.857 3.534 . 0 0 "[ . 1 . 2]" 1
613 1 94 GLN H 1 94 GLN HE21 5.500 . 6.000 3.064 2.272 3.580 . 0 0 "[ . 1 . 2]" 1
614 1 84 GLU H 1 85 GLU H 4.480 . 4.980 2.984 2.625 3.195 . 0 0 "[ . 1 . 2]" 1
615 1 83 THR H 1 84 GLU H 3.740 . 4.240 2.830 2.749 2.946 . 0 0 "[ . 1 . 2]" 1
616 1 97 ALA HA 1 99 GLN H 5.190 . 5.690 4.732 4.558 4.973 . 0 0 "[ . 1 . 2]" 1
617 1 70 GLU H 1 71 GLN H 3.390 . 3.890 2.913 2.818 3.004 . 0 0 "[ . 1 . 2]" 1
618 1 92 VAL H 1 93 ASP H 4.150 . 4.650 2.964 2.799 3.176 . 0 0 "[ . 1 . 2]" 1
619 1 93 ASP H 1 93 ASP QB 3.610 . 4.110 2.181 2.046 2.232 . 0 0 "[ . 1 . 2]" 1
620 1 79 PHE H 1 80 HIS H 4.610 . 5.110 3.006 2.924 3.116 . 0 0 "[ . 1 . 2]" 1
621 1 90 ASP HA 1 92 VAL H 5.480 . 5.980 4.047 3.437 4.481 . 0 0 "[ . 1 . 2]" 1
622 1 92 VAL H 1 93 ASP QB 6.020 . 6.520 4.649 4.366 4.908 . 0 0 "[ . 1 . 2]" 1
623 1 82 SER HB2 1 83 THR H 5.480 . 5.980 3.564 3.424 3.670 . 0 0 "[ . 1 . 2]" 1
624 1 83 THR H 1 84 GLU HB2 5.500 . 6.000 4.736 4.507 5.199 . 0 0 "[ . 1 . 2]" 1
625 1 79 PHE H 1 81 TYR H 5.500 . 6.000 4.391 4.217 4.634 . 0 0 "[ . 1 . 2]" 1
626 1 96 ARG QB 1 97 ALA H 3.870 . 4.370 2.585 2.418 2.768 . 0 0 "[ . 1 . 2]" 1
627 1 95 PHE HB2 1 97 ALA H 5.150 . 5.650 5.210 5.054 5.273 . 0 0 "[ . 1 . 2]" 1
628 1 70 GLU H 1 71 GLN QE 5.700 . 6.200 4.478 3.595 5.335 . 0 0 "[ . 1 . 2]" 1
629 1 70 GLU H 1 70 GLU HB2 3.350 . 3.850 3.126 2.324 3.478 . 0 0 "[ . 1 . 2]" 1
630 1 72 PHE HB3 1 73 LYS H 5.050 . 5.550 2.604 2.500 2.711 . 0 0 "[ . 1 . 2]" 1
631 1 73 LYS H 1 73 LYS HB3 4.060 . 4.560 3.648 3.631 3.668 . 0 0 "[ . 1 . 2]" 1
632 1 53 ILE H 1 53 ILE HG13 5.070 . 5.570 3.805 3.370 4.442 . 0 0 "[ . 1 . 2]" 1
633 1 53 ILE H 1 53 ILE HB 3.550 . 4.050 2.453 1.891 3.566 . 0 0 "[ . 1 . 2]" 1
634 1 101 CYS HB2 1 102 MET H 4.280 . 4.780 4.034 3.915 4.212 . 0 0 "[ . 1 . 2]" 1
635 1 75 ALA MB 1 76 PHE H 6.050 . 6.550 2.371 2.268 2.473 . 0 0 "[ . 1 . 2]" 1
636 1 102 MET H 1 102 MET HG2 4.360 . 4.860 3.758 3.646 3.883 . 0 0 "[ . 1 . 2]" 1
637 1 102 MET H 1 102 MET HB2 4.020 . 4.520 2.392 2.324 2.454 . 0 0 "[ . 1 . 2]" 1
638 1 78 CYS H 1 78 CYS HB3 3.410 . 3.910 2.682 2.601 2.742 . 0 0 "[ . 1 . 2]" 1
639 1 108 LEU H 1 109 TYR HA 5.120 . 5.620 4.889 4.505 5.297 . 0 0 "[ . 1 . 2]" 1
640 1 79 PHE QD 1 80 HIS H 5.740 . 6.240 3.514 3.083 3.881 . 0 0 "[ . 1 . 2]" 1
641 1 63 MET H 1 64 ALA H 5.000 . 5.500 2.579 2.266 2.880 . 0 0 "[ . 1 . 2]" 1
642 1 62 GLY H 1 63 MET H 4.600 . 5.100 2.739 2.421 2.894 . 0 0 "[ . 1 . 2]" 1
643 1 63 MET H 1 63 MET HG2 4.590 . 5.090 4.161 1.993 4.689 . 0 0 "[ . 1 . 2]" 1
644 1 53 ILE MD 1 80 HIS H 6.610 . 7.110 3.846 3.595 4.276 . 0 0 "[ . 1 . 2]" 1
645 1 80 HIS H 1 80 HIS HB3 3.850 . 4.350 3.344 2.504 3.614 . 0 0 "[ . 1 . 2]" 1
646 1 89 SER H 1 89 SER HB2 3.820 . 4.320 3.326 2.412 3.632 . 0 0 "[ . 1 . 2]" 1
647 1 87 LYS HA 1 89 SER H 4.440 . 4.940 4.212 3.947 4.494 . 0 0 "[ . 1 . 2]" 1
648 1 100 GLU H 1 101 CYS HB3 5.590 . 6.090 5.088 4.891 5.400 . 0 0 "[ . 1 . 2]" 1
649 1 100 GLU H 1 100 GLU HB2 3.530 . 4.030 2.417 2.298 2.602 . 0 0 "[ . 1 . 2]" 1
650 1 86 ILE H 1 89 SER HB2 4.200 . 4.700 4.005 3.332 4.345 . 0 0 "[ . 1 . 2]" 1
651 1 84 GLU HB3 1 86 ILE H 3.650 . 4.150 3.627 2.444 3.829 . 0 0 "[ . 1 . 2]" 1
652 1 86 ILE H 1 86 ILE HB 3.200 . 3.700 2.430 2.136 2.650 . 0 0 "[ . 1 . 2]" 1
653 1 101 CYS H 1 102 MET H 4.030 . 4.530 2.538 2.451 2.647 . 0 0 "[ . 1 . 2]" 1
654 1 101 CYS H 1 101 CYS HB2 3.440 . 3.940 2.605 2.491 2.710 . 0 0 "[ . 1 . 2]" 1
655 1 103 GLN H 1 103 GLN HE22 5.500 . 6.000 5.643 5.521 5.723 . 0 0 "[ . 1 . 2]" 1
656 1 103 GLN H 1 103 GLN HG3 4.030 . 4.530 2.229 2.123 2.319 . 0 0 "[ . 1 . 2]" 1
657 1 102 MET HB2 1 103 GLN H 4.190 . 4.690 3.103 2.822 3.357 . 0 0 "[ . 1 . 2]" 1
658 1 102 MET HG3 1 103 GLN H 5.380 . 5.880 4.656 4.521 4.787 . 0 0 "[ . 1 . 2]" 1
659 1 90 ASP H 1 91 CYS H 4.180 . 4.680 2.643 2.249 3.015 . 0 0 "[ . 1 . 2]" 1
660 1 89 SER HA 1 91 CYS H 4.950 . 5.450 3.885 3.361 4.220 . 0 0 "[ . 1 . 2]" 1
661 1 91 CYS H 1 92 VAL HA 4.960 . 5.460 4.079 3.875 4.410 . 0 0 "[ . 1 . 2]" 1
662 1 109 TYR H 1 109 TYR HB2 4.020 . 4.520 3.606 2.335 4.001 . 0 0 "[ . 1 . 2]" 1
663 1 109 TYR H 1 109 TYR HB3 4.020 . 4.520 3.449 3.221 3.590 . 0 0 "[ . 1 . 2]" 1
664 1 103 GLN HE22 1 104 LYS H 5.150 . 5.650 4.358 4.053 4.648 . 0 0 "[ . 1 . 2]" 1
665 1 104 LYS H 1 104 LYS HB2 3.550 . 4.050 2.537 2.425 2.727 . 0 0 "[ . 1 . 2]" 1
666 1 104 LYS H 1 104 LYS HG2 4.060 . 4.560 2.985 2.125 3.542 . 0 0 "[ . 1 . 2]" 1
667 1 84 GLU QG 1 90 ASP H 5.410 . 5.910 3.824 2.705 4.831 . 0 0 "[ . 1 . 2]" 1
668 1 105 TYR H 1 106 PRO HD2 4.950 . 5.450 4.866 4.575 4.947 . 0 0 "[ . 1 . 2]" 1
669 1 105 TYR H 1 105 TYR HB2 3.790 . 4.290 2.888 2.720 3.130 . 0 0 "[ . 1 . 2]" 1
670 1 81 TYR H 1 82 SER H 3.890 . 4.390 2.627 2.482 2.747 . 0 0 "[ . 1 . 2]" 1
671 1 82 SER H 1 82 SER HB2 3.300 . 3.800 2.693 2.510 2.908 . 0 0 "[ . 1 . 2]" 1
672 1 67 PRO HG2 1 68 CYS H 4.470 . 4.970 2.746 2.118 4.102 . 0 0 "[ . 1 . 2]" 1
673 1 107 ASP H 1 108 LEU MD1 6.410 . 6.910 4.467 3.474 5.268 . 0 0 "[ . 1 . 2]" 1
674 1 105 TYR HB2 1 107 ASP H 5.390 . 5.890 4.724 3.706 5.466 . 0 0 "[ . 1 . 2]" 1
675 1 107 ASP H 1 107 ASP HB2 3.860 . 4.360 3.065 2.696 3.361 . 0 0 "[ . 1 . 2]" 1
676 1 74 SER H 1 74 SER HB2 3.300 . 3.800 2.346 2.195 2.453 . 0 0 "[ . 1 . 2]" 1
677 1 73 LYS HB3 1 74 SER H 4.190 . 4.690 3.482 3.393 3.546 . 0 0 "[ . 1 . 2]" 1
678 1 73 LYS HB2 1 74 SER H 4.260 . 4.760 2.277 2.178 2.362 . 0 0 "[ . 1 . 2]" 1
679 1 55 TRP HH2 1 77 SER H 4.250 . 4.750 2.844 2.465 3.106 . 0 0 "[ . 1 . 2]" 1
680 1 81 TYR H 1 81 TYR HB2 4.070 . 4.570 2.373 2.266 2.517 . 0 0 "[ . 1 . 2]" 1
681 1 80 HIS H 1 81 TYR H 4.440 . 4.940 2.831 2.709 2.913 . 0 0 "[ . 1 . 2]" 1
682 1 76 PHE QD 1 77 SER H 5.700 . 6.200 4.793 4.402 4.921 . 0 0 "[ . 1 . 2]" 1
683 1 76 PHE HB2 1 77 SER H 5.100 . 5.600 3.747 3.487 4.046 . 0 0 "[ . 1 . 2]" 1
684 1 55 TRP HB2 1 56 ASN H 4.770 . 5.270 3.545 2.032 4.495 . 0 0 "[ . 1 . 2]" 1
685 1 56 ASN H 1 56 ASN HB3 3.490 . 3.990 2.637 2.261 3.700 . 0 0 "[ . 1 . 2]" 1
686 1 53 ILE MG 1 56 ASN H 6.610 . 7.110 4.565 3.696 5.120 . 0 0 "[ . 1 . 2]" 1
687 1 67 PRO HA 1 69 GLY H 4.520 . 5.020 4.271 4.088 4.525 . 0 0 "[ . 1 . 2]" 1
688 1 68 CYS HB3 1 69 GLY H 4.900 . 5.400 4.505 4.409 4.598 . 0 0 "[ . 1 . 2]" 1
689 1 67 PRO HB2 1 69 GLY H 5.800 . 6.300 5.121 4.784 5.427 . 0 0 "[ . 1 . 2]" 1
690 1 66 GLY H 1 67 PRO HD3 5.500 . 6.000 5.124 4.456 5.515 . 0 0 "[ . 1 . 2]" 1
691 1 60 LEU H 1 61 GLY H 4.620 . 5.120 2.637 2.209 2.946 . 0 0 "[ . 1 . 2]" 1
692 1 76 PHE H 1 77 SER H 4.350 . 4.850 2.870 2.763 2.921 . 0 0 "[ . 1 . 2]" 1
693 1 74 SER HA 1 76 PHE H 5.500 . 6.000 5.101 4.739 5.273 . 0 0 "[ . 1 . 2]" 1
694 1 82 SER H 1 83 THR H 5.030 . 5.530 2.731 2.434 2.953 . 0 0 "[ . 1 . 2]" 1
695 1 82 SER QB 1 83 THR H 5.540 . 6.040 2.077 1.994 2.179 . 0 0 "[ . 1 . 2]" 1
696 1 93 ASP H 1 94 GLN H 4.070 . 4.570 2.887 2.812 2.983 . 0 0 "[ . 1 . 2]" 1
697 1 92 VAL HA 1 94 GLN H 4.800 . 5.300 4.013 3.871 4.181 . 0 0 "[ . 1 . 2]" 1
698 1 95 PHE H 1 95 PHE QD 5.130 . 5.630 2.116 1.934 2.463 . 0 0 "[ . 1 . 2]" 1
699 1 70 GLU H 1 71 GLN HA 5.380 . 5.880 5.459 5.420 5.527 . 0 0 "[ . 1 . 2]" 1
700 1 70 GLU H 1 70 GLU HG2 3.830 . 4.330 2.792 2.375 3.517 . 0 0 "[ . 1 . 2]" 1
701 1 76 PHE HB3 1 77 SER H 5.220 . 5.720 3.176 2.901 3.405 . 0 0 "[ . 1 . 2]" 1
702 1 77 SER H 1 78 CYS H 4.420 . 4.920 2.978 2.901 3.042 . 0 0 "[ . 1 . 2]" 1
703 1 94 GLN HA 1 96 ARG H 4.860 . 5.360 4.547 4.442 4.653 . 0 0 "[ . 1 . 2]" 1
704 1 93 ASP HA 1 96 ARG H 3.790 . 4.290 3.409 3.085 3.748 . 0 0 "[ . 1 . 2]" 1
705 1 72 PHE H 1 73 LYS H 4.300 . 4.800 2.793 2.751 2.845 . 0 0 "[ . 1 . 2]" 1
706 1 72 PHE QD 1 73 LYS H 5.040 . 5.540 4.193 3.640 4.404 . 0 0 "[ . 1 . 2]" 1
707 1 70 GLU HA 1 73 LYS H 4.290 . 4.790 2.980 2.692 3.166 . 0 0 "[ . 1 . 2]" 1
708 1 84 GLU HA 1 85 GLU H 3.500 . 4.000 3.542 3.425 3.579 . 0 0 "[ . 1 . 2]" 1
709 1 97 ALA MB 1 99 GLN H 6.610 . 7.110 4.872 4.765 5.024 . 0 0 "[ . 1 . 2]" 1
710 1 78 CYS H 1 79 PHE H 4.500 . 5.000 3.017 2.973 3.084 . 0 0 "[ . 1 . 2]" 1
711 1 86 ILE HA 1 87 LYS H 3.410 . 3.910 2.324 2.189 2.494 . 0 0 "[ . 1 . 2]" 1
712 1 86 ILE H 1 89 SER HB3 5.070 . 5.570 3.304 2.423 5.157 . 0 0 "[ . 1 . 2]" 1
713 1 84 GLU HB2 1 86 ILE H 4.300 . 4.800 3.703 3.327 4.173 . 0 0 "[ . 1 . 2]" 1
714 1 86 ILE H 1 86 ILE MG 4.550 . 5.050 3.736 3.500 3.862 . 0 0 "[ . 1 . 2]" 1
715 1 95 PHE HA 1 97 ALA H 4.800 . 5.300 4.487 4.387 4.582 . 0 0 "[ . 1 . 2]" 1
716 1 93 ASP HA 1 97 ALA H 4.900 . 5.400 3.906 3.775 4.093 . 0 0 "[ . 1 . 2]" 1
717 1 60 LEU HB3 1 61 GLY H 4.780 . 5.280 3.556 2.559 4.387 . 0 0 "[ . 1 . 2]" 1
718 1 60 LEU HB2 1 61 GLY H 4.770 . 5.270 3.680 3.222 3.982 . 0 0 "[ . 1 . 2]" 1
719 1 72 PHE H 1 75 ALA H 5.090 . 5.590 4.669 4.592 4.765 . 0 0 "[ . 1 . 2]" 1
720 1 74 SER HB2 1 75 ALA H 4.060 . 4.560 3.899 3.748 4.044 . 0 0 "[ . 1 . 2]" 1
721 1 66 GLY HA3 1 69 GLY H 4.550 . 5.050 3.912 3.307 4.265 . 0 0 "[ . 1 . 2]" 1
722 1 54 ASN HD21 1 55 TRP H 5.500 . 6.000 4.551 3.247 5.485 . 0 0 "[ . 1 . 2]" 1
723 1 81 TYR H 1 81 TYR QD 4.780 . 5.280 2.626 2.243 3.209 . 0 0 "[ . 1 . 2]" 1
724 1 109 TYR H 1 109 TYR QE 5.690 . 6.190 3.919 3.485 4.299 . 0 0 "[ . 1 . 2]" 1
725 1 55 TRP H 1 55 TRP HE1 5.430 . 5.930 4.598 3.900 5.371 . 0 0 "[ . 1 . 2]" 1
726 1 108 LEU H 1 109 TYR H 3.500 . 4.000 2.248 1.672 2.904 0.128 18 0 "[ . 1 . 2]" 1
727 1 103 GLN H 1 104 LYS H 4.040 . 4.540 2.877 2.704 2.981 . 0 0 "[ . 1 . 2]" 1
728 1 91 CYS H 1 91 CYS HB3 4.160 . 4.660 3.795 3.668 3.878 . 0 0 "[ . 1 . 2]" 1
729 1 105 TYR H 1 109 TYR QE 5.410 . 5.910 4.461 4.231 4.829 . 0 0 "[ . 1 . 2]" 1
730 1 55 TRP HH2 1 73 LYS H 5.350 . 5.850 4.795 4.573 5.131 . 0 0 "[ . 1 . 2]" 1
731 1 55 TRP HH2 1 76 PHE H 5.250 . 5.750 3.817 3.500 4.108 . 0 0 "[ . 1 . 2]" 1
732 1 55 TRP HE3 1 60 LEU HG 5.000 . 5.500 4.710 3.940 5.021 . 0 0 "[ . 1 . 2]" 1
733 1 50 ASN HB3 1 50 ASN HD22 3.970 . 4.470 3.868 3.587 4.053 . 0 0 "[ . 1 . 2]" 1
734 1 107 ASP H 1 108 LEU H 3.540 . 4.040 2.518 1.627 3.311 0.173 7 0 "[ . 1 . 2]" 1
735 1 108 LEU H 1 108 LEU MD2 5.220 . 5.720 4.265 3.715 4.437 . 0 0 "[ . 1 . 2]" 1
736 1 82 SER QB 1 84 GLU H 5.670 . 6.170 3.197 2.849 3.452 . 0 0 "[ . 1 . 2]" 1
737 1 60 LEU HA 1 72 PHE QE 5.040 . 5.540 3.439 2.416 4.109 . 0 0 "[ . 1 . 2]" 1
738 1 76 PHE QD 1 95 PHE QD 6.980 . 7.480 5.098 4.650 5.552 . 0 0 "[ . 1 . 2]" 1
739 1 50 ASN HD21 1 52 ASN HD22 5.170 . 5.670 5.172 4.598 5.230 . 0 0 "[ . 1 . 2]" 1
740 1 91 CYS HA 1 94 GLN HE22 5.130 . 5.630 2.820 2.444 3.388 . 0 0 "[ . 1 . 2]" 1
741 1 72 PHE H 1 72 PHE QD 5.070 . 5.570 4.080 3.903 4.274 . 0 0 "[ . 1 . 2]" 1
742 1 68 CYS HA 1 71 GLN QE 5.410 . 5.910 2.850 2.594 3.143 . 0 0 "[ . 1 . 2]" 1
743 1 76 PHE QD 1 95 PHE QE 5.710 . 6.210 3.216 2.752 3.798 . 0 0 "[ . 1 . 2]" 1
744 1 55 TRP HA 1 55 TRP HZ3 4.880 . 5.380 4.916 4.782 4.954 . 0 0 "[ . 1 . 2]" 1
745 1 50 ASN HD21 1 52 ASN QB 5.790 . 6.290 2.967 2.091 3.955 . 0 0 "[ . 1 . 2]" 1
746 1 105 TYR HA 1 107 ASP H 4.450 . 4.950 4.113 3.477 4.503 . 0 0 "[ . 1 . 2]" 1
747 1 105 TYR HA 1 105 TYR QD 3.590 . 4.090 2.268 2.105 2.608 . 0 0 "[ . 1 . 2]" 1
748 1 105 TYR HA 1 105 TYR QE 4.940 . 5.440 4.455 4.434 4.476 . 0 0 "[ . 1 . 2]" 1
749 1 56 ASN HA 1 56 ASN HD22 3.650 . 4.150 3.676 3.453 3.768 . 0 0 "[ . 1 . 2]" 1
750 1 52 ASN HA 1 52 ASN HD22 4.210 . 4.710 3.963 3.296 4.306 . 0 0 "[ . 1 . 2]" 1
751 1 52 ASN HA 1 52 ASN HD21 4.100 . 4.600 3.425 2.169 4.188 . 0 0 "[ . 1 . 2]" 1
752 1 56 ASN HA 1 56 ASN HD21 3.540 . 4.040 2.700 2.229 3.558 . 0 0 "[ . 1 . 2]" 1
753 1 52 ASN HA 1 55 TRP HE1 5.570 . 6.070 5.459 4.927 5.623 . 0 0 "[ . 1 . 2]" 1
754 1 52 ASN HA 1 53 ILE H 3.460 . 3.960 2.423 2.102 3.451 . 0 0 "[ . 1 . 2]" 1
755 1 52 ASN HA 1 53 ILE MD 7.210 . 7.710 3.304 2.573 5.057 . 0 0 "[ . 1 . 2]" 1
756 1 65 SER HA 1 66 GLY H 3.530 . 4.030 2.527 2.235 3.422 . 0 0 "[ . 1 . 2]" 1
757 1 64 ALA MB 1 65 SER HA 6.510 . 7.010 4.446 4.137 4.614 . 0 0 "[ . 1 . 2]" 1
758 1 83 THR HA 1 83 THR HB 2.610 . 3.110 2.452 2.377 2.532 . 0 0 "[ . 1 . 2]" 1
759 1 50 ASN HA 1 50 ASN HD22 4.700 . 5.200 4.381 3.781 4.882 . 0 0 "[ . 1 . 2]" 1
760 1 54 ASN HA 1 54 ASN HD22 4.960 . 5.460 3.858 3.419 4.552 . 0 0 "[ . 1 . 2]" 1
761 1 55 TRP HA 1 55 TRP HE3 3.280 . 3.780 2.648 2.449 2.877 . 0 0 "[ . 1 . 2]" 1
762 1 93 ASP HA 1 97 ALA MB 6.400 . 6.900 4.819 4.636 5.059 . 0 0 "[ . 1 . 2]" 1
763 1 67 PRO HA 1 68 CYS HA 4.810 . 5.310 4.669 4.632 4.704 . 0 0 "[ . 1 . 2]" 1
764 1 95 PHE HA 1 98 MET H 4.710 . 5.210 3.108 2.986 3.293 . 0 0 "[ . 1 . 2]" 1
765 1 95 PHE HA 1 95 PHE QD 4.220 . 4.720 3.145 2.937 3.238 . 0 0 "[ . 1 . 2]" 1
766 1 77 SER HA 1 80 HIS HB2 4.500 . 5.000 2.546 2.234 3.066 . 0 0 "[ . 1 . 2]" 1
767 1 73 LYS HA 1 74 SER HA 4.810 . 5.310 4.818 4.763 4.846 . 0 0 "[ . 1 . 2]" 1
768 1 81 TYR HA 1 81 TYR QD 3.510 . 4.010 2.746 2.077 3.155 . 0 0 "[ . 1 . 2]" 1
769 1 96 ARG HA 1 96 ARG QD 4.100 . 4.600 3.864 3.272 3.971 . 0 0 "[ . 1 . 2]" 1
770 1 68 CYS H 1 69 GLY HA2 4.870 . 5.370 4.483 4.183 4.780 . 0 0 "[ . 1 . 2]" 1
771 1 86 ILE HB 1 89 SER HB3 4.510 . 5.010 2.456 1.954 4.198 . 0 0 "[ . 1 . 2]" 1
772 1 89 SER HB3 1 90 ASP H 5.190 . 5.690 3.933 2.666 4.449 . 0 0 "[ . 1 . 2]" 1
773 1 55 TRP HH2 1 77 SER QB 5.810 . 6.310 3.613 3.030 4.729 . 0 0 "[ . 1 . 2]" 1
774 1 77 SER QB 1 81 TYR QE 5.610 . 6.110 3.237 2.116 4.342 . 0 0 "[ . 1 . 2]" 1
775 1 83 THR HA 1 84 GLU HA 5.010 . 5.510 4.687 4.495 4.824 . 0 0 "[ . 1 . 2]" 1
776 1 102 MET HA 1 102 MET HG3 3.830 . 4.330 2.887 2.734 3.016 . 0 0 "[ . 1 . 2]" 1
777 1 75 ALA HA 1 78 CYS QB 5.030 . 5.530 2.853 2.747 2.969 . 0 0 "[ . 1 . 2]" 1
778 1 104 LYS HA 1 104 LYS QE 4.640 . 5.140 3.821 2.936 4.235 . 0 0 "[ . 1 . 2]" 1
779 1 70 GLU HA 1 70 GLU HG2 3.850 . 4.350 3.252 2.024 3.794 . 0 0 "[ . 1 . 2]" 1
780 1 78 CYS QB 1 79 PHE HA 5.780 . 6.280 4.441 4.324 4.542 . 0 0 "[ . 1 . 2]" 1
781 1 106 PRO HD3 1 107 ASP H 4.320 . 4.820 4.003 3.882 4.211 . 0 0 "[ . 1 . 2]" 1
782 1 105 TYR HA 1 106 PRO HD3 3.350 . 3.850 2.418 2.320 2.670 . 0 0 "[ . 1 . 2]" 1
783 1 92 VAL HA 1 95 PHE H 4.630 . 5.130 3.193 3.013 3.366 . 0 0 "[ . 1 . 2]" 1
784 1 92 VAL HA 1 95 PHE HB3 4.650 . 5.150 4.418 4.152 4.652 . 0 0 "[ . 1 . 2]" 1
785 1 87 LYS HA 1 87 LYS HE3 4.800 . 5.300 3.903 2.136 4.786 . 0 0 "[ . 1 . 2]" 1
786 1 87 LYS HA 1 87 LYS HE2 4.700 . 5.200 4.230 2.314 4.782 . 0 0 "[ . 1 . 2]" 1
787 1 55 TRP HZ2 1 73 LYS HA 4.360 . 4.860 2.627 2.410 3.213 . 0 0 "[ . 1 . 2]" 1
788 1 55 TRP HZ3 1 73 LYS HA 4.460 . 4.960 3.617 3.008 3.941 . 0 0 "[ . 1 . 2]" 1
789 1 64 ALA MB 1 73 LYS HA 6.470 . 6.970 3.884 3.662 4.163 . 0 0 "[ . 1 . 2]" 1
790 1 67 PRO HD3 1 68 CYS H 4.480 . 4.980 4.230 4.093 4.453 . 0 0 "[ . 1 . 2]" 1
791 1 55 TRP HB2 1 55 TRP HD1 3.620 . 4.120 2.485 2.421 2.536 . 0 0 "[ . 1 . 2]" 1
792 1 55 TRP HB2 1 64 ALA MB 4.940 . 5.440 3.916 3.658 4.119 . 0 0 "[ . 1 . 2]" 1
793 1 68 CYS HB2 1 71 GLN QE 5.330 . 5.830 5.187 4.520 5.244 . 0 0 "[ . 1 . 2]" 1
794 1 68 CYS HB2 1 71 GLN QG 5.370 . 5.870 3.711 3.478 3.833 . 0 0 "[ . 1 . 2]" 1
795 1 79 PHE H 1 81 TYR HB2 5.780 . 6.280 5.421 5.028 5.821 . 0 0 "[ . 1 . 2]" 1
796 1 101 CYS HB3 1 102 MET H 4.450 . 4.950 2.825 2.660 3.047 . 0 0 "[ . 1 . 2]" 1
797 1 101 CYS H 1 101 CYS HB3 3.920 . 4.420 2.445 2.302 2.578 . 0 0 "[ . 1 . 2]" 1
798 1 78 CYS QB 1 79 PHE H 4.790 . 5.290 2.638 2.485 2.749 . 0 0 "[ . 1 . 2]" 1
799 1 105 TYR QB 1 107 ASP H 5.600 . 6.100 3.600 2.694 4.266 . 0 0 "[ . 1 . 2]" 1
800 1 104 LYS HB3 1 104 LYS QE 4.140 . 4.640 2.221 2.007 2.564 . 0 0 "[ . 1 . 2]" 1
801 1 51 GLY H 1 52 ASN QB 5.890 . 6.390 4.274 2.970 4.789 . 0 0 "[ . 1 . 2]" 1
802 1 54 ASN HD22 1 56 ASN HB3 5.200 . 5.700 3.832 2.323 5.065 . 0 0 "[ . 1 . 2]" 1
803 1 107 ASP HA 1 107 ASP HB3 2.830 . 3.330 2.874 2.548 2.964 . 0 0 "[ . 1 . 2]" 1
804 1 107 ASP HB3 1 108 LEU HA 4.870 . 5.370 4.540 3.737 4.931 . 0 0 "[ . 1 . 2]" 1
805 1 92 VAL MG2 1 93 ASP QB 6.400 . 6.900 4.172 3.374 4.758 . 0 0 "[ . 1 . 2]" 1
806 1 91 CYS HA 1 93 ASP QB 5.500 . 6.000 4.542 4.221 4.894 . 0 0 "[ . 1 . 2]" 1
807 1 107 ASP HA 1 107 ASP HB2 2.970 . 3.470 2.642 2.341 3.018 . 0 0 "[ . 1 . 2]" 1
808 1 71 GLN QG 1 101 CYS HB2 5.710 . 6.210 2.638 2.446 4.354 . 0 0 "[ . 1 . 2]" 1
809 1 100 GLU HG2 1 101 CYS H 4.570 . 5.070 3.970 3.342 4.361 . 0 0 "[ . 1 . 2]" 1
810 1 94 GLN H 1 94 GLN HG2 4.600 . 5.100 3.907 3.853 3.956 . 0 0 "[ . 1 . 2]" 1
811 1 94 GLN HA 1 94 GLN HG2 3.600 . 4.100 3.639 3.622 3.656 . 0 0 "[ . 1 . 2]" 1
812 1 80 HIS HB2 1 81 TYR QE 6.030 . 6.530 4.888 4.290 5.387 . 0 0 "[ . 1 . 2]" 1
813 1 77 SER QB 1 80 HIS HB2 5.220 . 5.720 4.348 3.907 4.672 . 0 0 "[ . 1 . 2]" 1
814 1 71 GLN H 1 71 GLN HB2 3.810 . 4.310 2.860 2.763 2.942 . 0 0 "[ . 1 . 2]" 1
815 1 71 GLN HB2 1 101 CYS HB2 4.770 . 5.270 4.817 4.791 4.845 . 0 0 "[ . 1 . 2]" 1
816 1 84 GLU H 1 84 GLU QG 4.830 . 5.330 2.898 2.244 3.823 . 0 0 "[ . 1 . 2]" 1
817 1 85 GLU HG3 1 86 ILE H 4.720 . 5.220 4.564 4.138 4.777 . 0 0 "[ . 1 . 2]" 1
818 1 68 CYS HB3 1 71 GLN QE 4.030 . 4.530 3.875 2.996 3.993 . 0 0 "[ . 1 . 2]" 1
819 1 70 GLU H 1 70 GLU HG3 3.680 . 4.180 3.389 2.398 3.800 . 0 0 "[ . 1 . 2]" 1
820 1 70 GLU HG3 1 71 GLN H 5.500 . 6.000 3.653 2.829 5.093 . 0 0 "[ . 1 . 2]" 1
821 1 63 MET HG3 1 64 ALA H 4.520 . 5.020 4.409 4.155 4.612 . 0 0 "[ . 1 . 2]" 1
822 1 84 GLU HB2 1 89 SER HB3 4.740 . 5.240 4.414 2.817 4.765 . 0 0 "[ . 1 . 2]" 1
823 1 84 GLU H 1 84 GLU HB2 3.670 . 4.170 2.202 2.083 2.455 . 0 0 "[ . 1 . 2]" 1
824 1 84 GLU HB2 1 90 ASP H 4.800 . 5.300 3.941 3.298 4.624 . 0 0 "[ . 1 . 2]" 1
825 1 103 GLN H 1 103 GLN HB3 3.610 . 4.110 2.291 2.191 2.363 . 0 0 "[ . 1 . 2]" 1
826 1 91 CYS H 1 92 VAL HB 5.150 . 5.650 4.413 3.685 5.206 . 0 0 "[ . 1 . 2]" 1
827 1 100 GLU H 1 100 GLU HB3 3.660 . 4.160 2.253 2.127 2.341 . 0 0 "[ . 1 . 2]" 1
828 1 106 PRO HB2 1 107 ASP H 3.890 . 4.390 3.492 2.992 4.012 . 0 0 "[ . 1 . 2]" 1
829 1 97 ALA MB 1 100 GLU HB2 6.080 . 6.580 4.794 4.682 4.950 . 0 0 "[ . 1 . 2]" 1
830 1 106 PRO QG 1 107 ASP H 4.570 . 5.070 2.477 2.083 3.212 . 0 0 "[ . 1 . 2]" 1
831 1 100 GLU HB2 1 101 CYS H 3.940 . 4.440 4.007 3.921 4.065 . 0 0 "[ . 1 . 2]" 1
832 1 105 TYR HA 1 106 PRO QG 5.010 . 5.510 3.958 3.865 4.000 . 0 0 "[ . 1 . 2]" 1
833 1 85 GLU HB3 1 86 ILE H 3.760 . 4.260 2.554 2.092 3.519 . 0 0 "[ . 1 . 2]" 1
834 1 102 MET QB 1 103 GLN H 5.420 . 5.920 2.977 2.728 3.205 . 0 0 "[ . 1 . 2]" 1
835 1 102 MET H 1 102 MET QB 3.720 . 4.220 2.360 2.297 2.419 . 0 0 "[ . 1 . 2]" 1
836 1 86 ILE HB 1 87 LYS H 4.480 . 4.980 4.130 3.987 4.268 . 0 0 "[ . 1 . 2]" 1
837 1 104 LYS HB2 1 105 TYR H 4.950 . 5.450 2.994 2.491 3.519 . 0 0 "[ . 1 . 2]" 1
838 1 96 ARG HA 1 96 ARG HG3 3.770 . 4.270 2.411 2.286 3.031 . 0 0 "[ . 1 . 2]" 1
839 1 98 MET QB 1 99 GLN HA 5.770 . 6.270 4.282 3.845 4.505 . 0 0 "[ . 1 . 2]" 1
840 1 76 PHE QD 1 87 LYS HB3 5.620 . 6.120 4.853 4.457 5.050 . 0 0 "[ . 1 . 2]" 1
841 1 84 GLU HB3 1 89 SER H 5.260 . 5.760 5.041 4.123 5.408 . 0 0 "[ . 1 . 2]" 1
842 1 84 GLU HB3 1 85 GLU H 4.580 . 5.080 2.661 2.397 2.869 . 0 0 "[ . 1 . 2]" 1
843 1 96 ARG HA 1 96 ARG HG2 4.030 . 4.530 3.097 2.719 3.881 . 0 0 "[ . 1 . 2]" 1
844 1 96 ARG H 1 96 ARG HG2 5.350 . 5.850 4.559 4.500 4.615 . 0 0 "[ . 1 . 2]" 1
845 1 104 LYS H 1 104 LYS HG3 3.980 . 4.480 2.736 2.152 3.643 . 0 0 "[ . 1 . 2]" 1
846 1 96 ARG HA 1 97 ALA MB 6.000 . 6.500 5.047 5.022 5.098 . 0 0 "[ . 1 . 2]" 1
847 1 97 ALA MB 1 98 MET H 4.650 . 5.150 2.631 2.511 2.751 . 0 0 "[ . 1 . 2]" 1
848 1 94 GLN HA 1 97 ALA MB 4.410 . 4.910 2.548 2.272 2.714 . 0 0 "[ . 1 . 2]" 1
849 1 64 ALA MB 1 65 SER H 4.830 . 5.330 3.437 3.162 3.708 . 0 0 "[ . 1 . 2]" 1
850 1 64 ALA MB 1 72 PHE QD 5.190 . 5.690 2.167 2.019 2.499 . 0 0 "[ . 1 . 2]" 1
851 1 55 TRP HZ3 1 64 ALA MB 6.150 . 6.650 2.929 2.529 3.219 . 0 0 "[ . 1 . 2]" 1
852 1 86 ILE HA 1 86 ILE HG12 4.070 . 4.570 2.639 2.281 3.613 . 0 0 "[ . 1 . 2]" 1
853 1 53 ILE HA 1 53 ILE HG13 4.240 . 4.740 2.506 2.258 2.686 . 0 0 "[ . 1 . 2]" 1
854 1 75 ALA MB 1 95 PHE QD 6.650 . 7.150 3.079 2.962 3.266 . 0 0 "[ . 1 . 2]" 1
855 1 101 CYS H 1 102 MET HG3 5.500 . 6.000 4.499 4.348 4.681 . 0 0 "[ . 1 . 2]" 1
856 1 73 LYS H 1 73 LYS HG2 3.910 . 4.410 2.101 1.985 2.198 . 0 0 "[ . 1 . 2]" 1
857 1 55 TRP HZ2 1 73 LYS HB2 4.380 . 4.880 4.499 4.472 4.524 . 0 0 "[ . 1 . 2]" 1
858 1 72 PHE QD 1 73 LYS HG2 5.830 . 6.330 5.126 4.748 5.230 . 0 0 "[ . 1 . 2]" 1
859 1 70 GLU HA 1 73 LYS HG2 3.920 . 4.420 2.238 2.129 2.380 . 0 0 "[ . 1 . 2]" 1
860 1 86 ILE HA 1 86 ILE HG13 4.190 . 4.690 2.975 2.393 3.840 . 0 0 "[ . 1 . 2]" 1
861 1 91 CYS H 1 92 VAL MG1 5.740 . 6.240 3.253 2.670 4.033 . 0 0 "[ . 1 . 2]" 1
862 1 92 VAL MG2 1 93 ASP H 4.900 . 5.400 3.288 2.492 3.899 . 0 0 "[ . 1 . 2]" 1
863 1 92 VAL MG2 1 93 ASP HA 4.850 . 5.350 3.580 3.109 3.965 . 0 0 "[ . 1 . 2]" 1
864 1 92 VAL MG2 1 96 ARG QD 5.680 . 6.180 3.713 3.279 4.053 . 0 0 "[ . 1 . 2]" 1
865 1 73 LYS HA 1 73 LYS HD3 4.840 . 5.340 2.448 2.309 2.637 . 0 0 "[ . 1 . 2]" 1
866 1 55 TRP HZ2 1 73 LYS HD3 5.500 . 6.000 3.688 3.481 3.962 . 0 0 "[ . 1 . 2]" 1
867 1 63 MET H 1 63 MET HB3 4.090 . 4.590 2.982 2.620 3.705 . 0 0 "[ . 1 . 2]" 1
868 1 86 ILE MG 1 89 SER H 5.760 . 6.260 3.148 2.612 3.732 . 0 0 "[ . 1 . 2]" 1
869 1 85 GLU H 1 86 ILE MG 6.470 . 6.970 5.240 4.725 5.380 . 0 0 "[ . 1 . 2]" 1
870 1 86 ILE MG 1 87 LYS H 5.090 . 5.590 2.391 2.217 2.530 . 0 0 "[ . 1 . 2]" 1
871 1 86 ILE MG 1 89 SER HB2 5.180 . 5.680 4.044 2.304 4.342 . 0 0 "[ . 1 . 2]" 1
872 1 55 TRP HZ2 1 73 LYS HD2 4.410 . 4.910 3.044 2.866 3.332 . 0 0 "[ . 1 . 2]" 1
873 1 73 LYS HA 1 73 LYS HD2 5.160 . 5.660 2.941 2.772 3.233 . 0 0 "[ . 1 . 2]" 1
874 1 73 LYS HB3 1 73 LYS HD2 3.990 . 4.490 2.406 2.317 2.535 . 0 0 "[ . 1 . 2]" 1
875 1 70 GLU HA 1 73 LYS HD2 5.680 . 6.180 4.766 4.618 4.889 . 0 0 "[ . 1 . 2]" 1
876 1 60 LEU HA 1 60 LEU HG 4.250 . 4.750 2.526 2.220 2.716 . 0 0 "[ . 1 . 2]" 1
877 1 108 LEU MD2 1 109 TYR QE 6.670 . 7.170 4.984 4.687 5.055 . 0 0 "[ . 1 . 2]" 1
878 1 107 ASP H 1 108 LEU MD2 6.670 . 7.170 5.134 4.055 5.639 . 0 0 "[ . 1 . 2]" 1
879 1 53 ILE MD 1 80 HIS HB2 5.870 . 6.370 2.719 2.156 3.128 . 0 0 "[ . 1 . 2]" 1
880 1 108 LEU H 1 108 LEU MD1 4.530 . 5.030 3.296 2.179 3.850 . 0 0 "[ . 1 . 2]" 1
881 1 108 LEU MD1 1 109 TYR QE 5.970 . 6.470 3.015 2.611 3.859 . 0 0 "[ . 1 . 2]" 1
882 1 53 ILE MD 1 73 LYS HD3 6.610 . 7.110 5.531 5.516 5.559 . 0 0 "[ . 1 . 2]" 1
883 1 108 LEU MD1 1 109 TYR QD 6.080 . 6.580 2.129 1.915 2.645 . 0 0 "[ . 1 . 2]" 1
884 1 53 ILE MD 1 76 PHE QD 6.510 . 7.010 3.049 2.125 3.721 . 0 0 "[ . 1 . 2]" 1
885 1 105 TYR HA 1 108 LEU MD1 5.250 . 5.750 4.136 3.370 4.400 . 0 0 "[ . 1 . 2]" 1
886 1 53 ILE MD 1 77 SER QB 5.510 . 6.010 2.856 2.470 3.653 . 0 0 "[ . 1 . 2]" 1
887 1 106 PRO HD2 1 108 LEU MD1 6.440 . 6.940 4.814 3.933 5.286 . 0 0 "[ . 1 . 2]" 1
888 1 63 MET HB2 1 64 ALA H 5.400 . 5.900 3.438 2.342 3.957 . 0 0 "[ . 1 . 2]" 1
889 1 53 ILE HG12 1 76 PHE QD 6.170 . 6.670 2.709 2.270 3.644 . 0 0 "[ . 1 . 2]" 1
890 1 60 LEU QD 1 72 PHE QD 8.320 . 8.820 3.095 2.591 3.867 . 0 0 "[ . 1 . 2]" 1
891 1 55 TRP HE3 1 60 LEU QD 7.410 . 7.910 2.495 1.980 3.191 . 0 0 "[ . 1 . 2]" 1
892 1 60 LEU QD 1 72 PHE QE 7.140 . 7.640 2.150 2.019 2.632 . 0 0 "[ . 1 . 2]" 1
893 1 60 LEU QD 1 72 PHE HZ 6.980 . 7.480 3.370 2.719 4.016 . 0 0 "[ . 1 . 2]" 1
894 1 55 TRP HZ3 1 60 LEU QD 7.320 . 7.820 2.052 1.940 2.157 . 0 0 "[ . 1 . 2]" 1
895 1 53 ILE MG 1 55 TRP HE1 6.610 . 7.110 4.619 3.898 4.916 . 0 0 "[ . 1 . 2]" 1
896 1 53 ILE MG 1 54 ASN H 5.090 . 5.590 2.809 2.377 3.114 . 0 0 "[ . 1 . 2]" 1
897 1 53 ILE MG 1 55 TRP H 5.940 . 6.440 3.344 2.612 3.979 . 0 0 "[ . 1 . 2]" 1
898 1 53 ILE MG 1 76 PHE QD 6.400 . 6.900 3.764 3.109 4.487 . 0 0 "[ . 1 . 2]" 1
899 1 64 ALA MB 1 73 LYS HG3 6.000 . 6.500 4.402 4.262 4.611 . 0 0 "[ . 1 . 2]" 1
900 1 70 GLU HA 1 73 LYS HG3 5.360 . 5.860 2.549 2.324 2.750 . 0 0 "[ . 1 . 2]" 1
901 1 60 LEU HG 2 56 HIS HD2 3.450 . 3.950 3.509 3.467 3.565 . 0 0 "[ . 1 . 2]" 1
902 1 60 LEU HG 2 56 HIS HE1 3.570 . 4.070 3.618 3.593 3.651 . 0 0 "[ . 1 . 2]" 1
903 1 60 LEU HB2 2 52 LEU MD1 5.860 . 6.360 4.289 2.262 4.896 . 0 0 "[ . 1 . 2]" 1
904 1 63 MET QB 2 53 ILE MD 6.930 . 7.430 3.351 2.084 5.067 . 0 0 "[ . 1 . 2]" 1
905 1 63 MET QG 2 53 ILE MD 6.470 . 6.970 3.838 2.130 4.822 . 0 0 "[ . 1 . 2]" 1
906 1 63 MET QB 2 53 ILE HG12 5.710 . 6.210 4.506 3.456 5.110 . 0 0 "[ . 1 . 2]" 1
907 1 95 PHE QD 2 60 MET HB2 4.890 . 5.390 3.807 2.328 4.329 . 0 0 "[ . 1 . 2]" 1
908 1 95 PHE QD 2 63 LEU MD1 5.740 . 6.240 3.406 2.639 4.300 . 0 0 "[ . 1 . 2]" 1
909 1 76 PHE QE 2 52 LEU HB2 4.790 . 5.290 4.303 4.044 4.350 . 0 0 "[ . 1 . 2]" 1
910 1 95 PHE QE 2 60 MET HB3 4.930 . 5.430 4.380 3.900 4.454 . 0 0 "[ . 1 . 2]" 1
911 1 76 PHE QD 2 52 LEU MD1 6.480 . 6.980 4.715 4.313 4.831 . 0 0 "[ . 1 . 2]" 1
912 1 98 MET QB 2 60 MET HB2 5.710 . 6.210 4.325 2.712 5.128 . 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 60
_Distance_constraint_stats_list.Viol_count 15
_Distance_constraint_stats_list.Viol_total 4.286
_Distance_constraint_stats_list.Viol_max 0.036
_Distance_constraint_stats_list.Viol_rms 0.0020
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0002
_Distance_constraint_stats_list.Viol_average_violations_only 0.0143
_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 68 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 69 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 70 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 71 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 72 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 73 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 74 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 75 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 76 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 77 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 78 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 79 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 80 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
1 81 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 92 VAL 0.200 0.036 16 0 "[ . 1 . 2]"
1 93 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 94 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 95 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 96 ARG 0.200 0.036 16 0 "[ . 1 . 2]"
1 97 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 98 MET 0.000 0.000 . 0 "[ . 1 . 2]"
1 99 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 100 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 101 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 102 MET 0.000 0.000 . 0 "[ . 1 . 2]"
1 103 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
2 52 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
2 53 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
2 54 GLU 0.007 0.007 9 0 "[ . 1 . 2]"
2 55 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
2 56 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
2 57 LYS 0.007 0.007 9 0 "[ . 1 . 2]"
2 58 GLU 0.007 0.007 9 0 "[ . 1 . 2]"
2 59 SER 0.000 0.000 . 0 "[ . 1 . 2]"
2 60 MET 0.000 0.000 . 0 "[ . 1 . 2]"
2 61 ARG 0.007 0.007 9 0 "[ . 1 . 2]"
2 62 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
2 63 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
2 64 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
2 65 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
2 66 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
2 67 ILE 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 68 CYS O 1 71 GLN H 2.000 . 2.500 2.160 2.082 2.226 . 0 0 "[ . 1 . 2]" 2
2 1 68 CYS O 1 71 GLN N 3.000 . 3.500 2.895 2.850 2.939 . 0 0 "[ . 1 . 2]" 2
3 1 69 GLY O 1 72 PHE H 2.100 . 2.600 2.300 2.264 2.338 . 0 0 "[ . 1 . 2]" 2
4 1 69 GLY O 1 72 PHE N 3.000 . 3.500 2.857 2.826 2.899 . 0 0 "[ . 1 . 2]" 2
5 1 70 GLU O 1 74 SER H 2.000 . 2.500 1.909 1.818 2.029 . 0 0 "[ . 1 . 2]" 2
6 1 70 GLU O 1 74 SER N 3.000 . 3.500 2.892 2.796 3.009 . 0 0 "[ . 1 . 2]" 2
7 1 71 GLN O 1 75 ALA H 2.000 . 2.500 1.914 1.826 2.017 . 0 0 "[ . 1 . 2]" 2
8 1 71 GLN O 1 75 ALA N 3.000 . 3.500 2.880 2.819 2.982 . 0 0 "[ . 1 . 2]" 2
9 1 72 PHE O 1 76 PHE H 2.000 . 2.500 1.926 1.880 1.989 . 0 0 "[ . 1 . 2]" 2
10 1 72 PHE O 1 76 PHE N 3.000 . 3.500 2.888 2.847 2.990 . 0 0 "[ . 1 . 2]" 2
11 1 73 LYS O 1 77 SER H 2.000 . 2.500 2.003 1.917 2.053 . 0 0 "[ . 1 . 2]" 2
12 1 73 LYS O 1 77 SER N 3.000 . 3.500 2.950 2.881 3.003 . 0 0 "[ . 1 . 2]" 2
13 1 74 SER O 1 78 CYS H 2.000 . 2.500 1.994 1.931 2.039 . 0 0 "[ . 1 . 2]" 2
14 1 74 SER O 1 78 CYS N 3.000 . 3.500 2.965 2.914 3.006 . 0 0 "[ . 1 . 2]" 2
15 1 75 ALA O 1 79 PHE H 2.050 . 2.550 1.957 1.880 2.020 . 0 0 "[ . 1 . 2]" 2
16 1 75 ALA O 1 79 PHE N 3.000 . 3.500 2.957 2.883 3.008 . 0 0 "[ . 1 . 2]" 2
17 1 76 PHE O 1 80 HIS H 2.000 . 2.500 1.925 1.841 2.009 . 0 0 "[ . 1 . 2]" 2
18 1 76 PHE O 1 80 HIS N 3.000 . 3.500 2.898 2.822 3.006 . 0 0 "[ . 1 . 2]" 2
19 1 77 SER O 1 81 TYR H 2.000 . 2.500 1.936 1.821 2.013 . 0 0 "[ . 1 . 2]" 2
20 1 77 SER O 1 81 TYR N 3.000 . 3.500 2.914 2.814 3.016 . 0 0 "[ . 1 . 2]" 2
21 1 92 VAL O 1 96 ARG H 2.000 . 2.500 1.798 1.764 1.861 0.036 16 0 "[ . 1 . 2]" 2
22 1 92 VAL O 1 96 ARG N 3.000 . 3.500 2.795 2.744 2.857 . 0 0 "[ . 1 . 2]" 2
23 1 93 ASP O 1 97 ALA H 2.000 . 2.500 1.989 1.919 2.046 . 0 0 "[ . 1 . 2]" 2
24 1 93 ASP O 1 97 ALA N 3.000 . 3.500 2.938 2.868 3.010 . 0 0 "[ . 1 . 2]" 2
25 1 94 GLN O 1 98 MET H 2.000 . 2.500 1.993 1.874 2.045 . 0 0 "[ . 1 . 2]" 2
26 1 94 GLN O 1 98 MET N 3.000 . 3.500 2.948 2.836 2.992 . 0 0 "[ . 1 . 2]" 2
27 1 95 PHE O 1 99 GLN H 2.000 . 2.500 2.023 1.959 2.058 . 0 0 "[ . 1 . 2]" 2
28 1 95 PHE O 1 99 GLN N 3.000 . 3.500 3.014 2.956 3.051 . 0 0 "[ . 1 . 2]" 2
29 1 96 ARG O 1 100 GLU H 2.000 . 2.500 1.914 1.812 2.036 . 0 0 "[ . 1 . 2]" 2
30 1 96 ARG O 1 100 GLU N 3.000 . 3.500 2.902 2.802 3.019 . 0 0 "[ . 1 . 2]" 2
31 1 97 ALA O 1 101 CYS H 2.000 . 2.500 1.969 1.916 2.015 . 0 0 "[ . 1 . 2]" 2
32 1 97 ALA O 1 101 CYS N 3.000 . 3.500 2.844 2.781 2.928 . 0 0 "[ . 1 . 2]" 2
33 1 98 MET O 1 102 MET H 2.000 . 2.500 1.928 1.845 1.999 . 0 0 "[ . 1 . 2]" 2
34 1 98 MET O 1 102 MET N 3.000 . 3.500 2.858 2.783 2.957 . 0 0 "[ . 1 . 2]" 2
35 1 99 GLN O 1 103 GLN H 2.000 . 2.500 1.943 1.823 2.013 . 0 0 "[ . 1 . 2]" 2
36 1 99 GLN O 1 103 GLN N 3.000 . 3.500 2.926 2.812 3.008 . 0 0 "[ . 1 . 2]" 2
37 2 52 LEU O 2 56 HIS H 2.000 . 2.500 1.906 1.809 2.019 . 0 0 "[ . 1 . 2]" 2
38 2 52 LEU O 2 56 HIS N 3.000 . 3.500 2.843 2.731 3.011 . 0 0 "[ . 1 . 2]" 2
39 2 53 ILE O 2 57 LYS H 2.000 . 2.500 2.002 1.906 2.047 . 0 0 "[ . 1 . 2]" 2
40 2 53 ILE O 2 57 LYS N 3.000 . 3.500 3.001 2.907 3.035 . 0 0 "[ . 1 . 2]" 2
41 2 54 GLU O 2 58 GLU H 2.000 . 2.500 1.973 1.793 2.043 0.007 9 0 "[ . 1 . 2]" 2
42 2 54 GLU O 2 58 GLU N 3.000 . 3.500 2.954 2.776 3.040 . 0 0 "[ . 1 . 2]" 2
43 2 55 ALA O 2 59 SER H 2.000 . 2.500 1.974 1.858 2.028 . 0 0 "[ . 1 . 2]" 2
44 2 55 ALA O 2 59 SER N 3.000 . 3.500 2.938 2.804 3.003 . 0 0 "[ . 1 . 2]" 2
45 2 56 HIS O 2 60 MET H 2.000 . 2.500 1.980 1.883 2.057 . 0 0 "[ . 1 . 2]" 2
46 2 56 HIS O 2 60 MET N 3.000 . 3.500 2.981 2.873 3.052 . 0 0 "[ . 1 . 2]" 2
47 2 57 LYS O 2 61 ARG H 2.000 . 2.500 1.969 1.793 2.034 0.007 9 0 "[ . 1 . 2]" 2
48 2 57 LYS O 2 61 ARG N 3.000 . 3.500 2.949 2.764 3.033 . 0 0 "[ . 1 . 2]" 2
49 2 58 GLU O 2 62 ALA H 2.000 . 2.500 1.943 1.827 2.022 . 0 0 "[ . 1 . 2]" 2
50 2 58 GLU O 2 62 ALA N 3.000 . 3.500 2.915 2.810 2.998 . 0 0 "[ . 1 . 2]" 2
51 2 59 SER O 2 63 LEU H 2.000 . 2.500 1.951 1.834 2.032 . 0 0 "[ . 1 . 2]" 2
52 2 59 SER O 2 63 LEU N 3.000 . 3.500 2.944 2.832 3.028 . 0 0 "[ . 1 . 2]" 2
53 2 60 MET O 2 64 GLY H 2.000 . 2.500 1.969 1.883 2.066 . 0 0 "[ . 1 . 2]" 2
54 2 60 MET O 2 64 GLY N 3.000 . 3.500 2.926 2.816 3.012 . 0 0 "[ . 1 . 2]" 2
55 2 61 ARG O 2 65 PHE H 2.000 . 2.500 1.961 1.855 2.052 . 0 0 "[ . 1 . 2]" 2
56 2 61 ARG O 2 65 PHE N 3.000 . 3.500 2.901 2.775 2.998 . 0 0 "[ . 1 . 2]" 2
57 2 62 ALA O 2 66 LYS H 2.000 . 2.500 2.019 1.910 2.098 . 0 0 "[ . 1 . 2]" 2
58 2 62 ALA O 2 66 LYS N 3.000 . 3.500 2.928 2.832 3.012 . 0 0 "[ . 1 . 2]" 2
59 2 63 LEU O 2 67 ILE H 2.000 . 2.500 1.970 1.858 2.032 . 0 0 "[ . 1 . 2]" 2
60 2 63 LEU O 2 67 ILE N 3.000 . 3.500 2.937 2.814 3.020 . 0 0 "[ . 1 . 2]" 2
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