NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
532059 |
2lfj   |
17762 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2lfj
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 943
_Distance_constraint_stats_list.Viol_count 6
_Distance_constraint_stats_list.Viol_total 5.581
_Distance_constraint_stats_list.Viol_max 0.278
_Distance_constraint_stats_list.Viol_rms 0.0033
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0001
_Distance_constraint_stats_list.Viol_average_violations_only 0.0930
_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 2 GLU 0.000 0.000 . 0 "[ . 1]"
1 3 SER 0.000 0.000 . 0 "[ . 1]"
1 4 ALA 0.000 0.000 . 0 "[ . 1]"
1 5 ALA 0.000 0.000 . 0 "[ . 1]"
1 6 ALA 0.000 0.000 . 0 "[ . 1]"
1 7 LYS 0.000 0.000 . 0 "[ . 1]"
1 8 PHE 0.000 0.000 . 0 "[ . 1]"
1 9 GLU 0.000 0.000 . 0 "[ . 1]"
1 10 ARG 0.000 0.000 . 0 "[ . 1]"
1 11 GLN 0.000 0.000 . 0 "[ . 1]"
1 12 HIS 0.030 0.030 9 0 "[ . 1]"
1 13 MET 0.030 0.030 9 0 "[ . 1]"
1 14 ASP 0.000 0.000 . 0 "[ . 1]"
1 15 SER 0.000 0.000 . 0 "[ . 1]"
1 16 GLY 0.000 0.000 . 0 "[ . 1]"
1 17 ASN 0.000 0.000 . 0 "[ . 1]"
1 18 SER 0.000 0.000 . 0 "[ . 1]"
1 19 PRO 0.000 0.000 . 0 "[ . 1]"
1 20 SER 0.000 0.000 . 0 "[ . 1]"
1 21 SER 0.000 0.000 . 0 "[ . 1]"
1 22 SER 0.000 0.000 . 0 "[ . 1]"
1 23 SER 0.000 0.000 . 0 "[ . 1]"
1 24 ASN 0.000 0.000 . 0 "[ . 1]"
1 25 TYR 0.000 0.000 . 0 "[ . 1]"
1 26 CYS 0.000 0.000 . 0 "[ . 1]"
1 27 ASN 0.000 0.000 . 0 "[ . 1]"
1 28 LEU 0.000 0.000 . 0 "[ . 1]"
1 29 MET 0.000 0.000 . 0 "[ . 1]"
1 30 MET 0.000 0.000 . 0 "[ . 1]"
1 31 CYS 0.000 0.000 . 0 "[ . 1]"
1 32 CYS 0.000 0.000 . 0 "[ . 1]"
1 33 ARG 0.000 0.000 . 0 "[ . 1]"
1 34 LYS 0.000 0.000 . 0 "[ . 1]"
1 35 MET 0.000 0.000 . 0 "[ . 1]"
1 36 THR 0.000 0.000 . 0 "[ . 1]"
1 37 GLN 0.000 0.000 . 0 "[ . 1]"
1 38 GLY 0.000 0.000 . 0 "[ . 1]"
1 39 LYS 0.000 0.000 . 0 "[ . 1]"
1 40 CYS 0.000 0.000 . 0 "[ . 1]"
1 41 LYS 0.000 0.000 . 0 "[ . 1]"
1 42 PRO 0.000 0.000 . 0 "[ . 1]"
1 43 VAL 0.000 0.000 . 0 "[ . 1]"
1 44 ASN 0.000 0.000 . 0 "[ . 1]"
1 45 THR 0.000 0.000 . 0 "[ . 1]"
1 46 PHE 0.000 0.000 . 0 "[ . 1]"
1 47 VAL 0.000 0.000 . 0 "[ . 1]"
1 48 HIS 0.000 0.000 . 0 "[ . 1]"
1 49 GLU 0.000 0.000 . 0 "[ . 1]"
1 50 SER 0.000 0.000 . 0 "[ . 1]"
1 51 LEU 0.000 0.000 . 0 "[ . 1]"
1 52 ALA 0.000 0.000 . 0 "[ . 1]"
1 53 ASP 0.000 0.000 . 0 "[ . 1]"
1 54 VAL 0.000 0.000 . 0 "[ . 1]"
1 55 LYS 0.000 0.000 . 0 "[ . 1]"
1 56 ALA 0.000 0.000 . 0 "[ . 1]"
1 57 VAL 0.000 0.000 . 0 "[ . 1]"
1 58 CYS 0.000 0.000 . 0 "[ . 1]"
1 59 SER 0.000 0.000 . 0 "[ . 1]"
1 60 GLN 0.000 0.000 . 0 "[ . 1]"
1 61 LYS 0.000 0.000 . 0 "[ . 1]"
1 62 LYS 0.000 0.000 . 0 "[ . 1]"
1 63 VAL 0.000 0.000 . 0 "[ . 1]"
1 64 THR 0.000 0.000 . 0 "[ . 1]"
1 65 CYS 0.000 0.000 . 0 "[ . 1]"
1 66 LYS 0.000 0.000 . 0 "[ . 1]"
1 67 ASP 0.000 0.000 . 0 "[ . 1]"
1 68 GLY 0.000 0.000 . 0 "[ . 1]"
1 69 GLN 0.000 0.000 . 0 "[ . 1]"
1 70 THR 0.000 0.000 . 0 "[ . 1]"
1 71 ASN 0.000 0.000 . 0 "[ . 1]"
1 72 CYS 0.000 0.000 . 0 "[ . 1]"
1 73 TYR 0.000 0.000 . 0 "[ . 1]"
1 74 GLN 0.000 0.000 . 0 "[ . 1]"
1 75 SER 0.000 0.000 . 0 "[ . 1]"
1 76 LYS 0.000 0.000 . 0 "[ . 1]"
1 77 SER 0.000 0.000 . 0 "[ . 1]"
1 78 THR 0.000 0.000 . 0 "[ . 1]"
1 79 MET 0.000 0.000 . 0 "[ . 1]"
1 80 ARG 0.000 0.000 . 0 "[ . 1]"
1 81 ILE 0.000 0.000 . 0 "[ . 1]"
1 82 THR 0.000 0.000 . 0 "[ . 1]"
1 83 ASP 0.000 0.000 . 0 "[ . 1]"
1 84 CYS 0.000 0.000 . 0 "[ . 1]"
1 85 ARG 0.000 0.000 . 0 "[ . 1]"
1 86 GLU 0.000 0.000 . 0 "[ . 1]"
1 87 THR 0.000 0.000 . 0 "[ . 1]"
1 88 GLY 0.000 0.000 . 0 "[ . 1]"
1 89 SER 0.251 0.118 1 0 "[ . 1]"
1 90 SER 0.251 0.118 1 0 "[ . 1]"
1 91 LYS 0.000 0.000 . 0 "[ . 1]"
1 92 TYR 0.000 0.000 . 0 "[ . 1]"
1 93 PRO 0.000 0.000 . 0 "[ . 1]"
1 94 ASN 0.000 0.000 . 0 "[ . 1]"
1 95 CYS 0.000 0.000 . 0 "[ . 1]"
1 96 ALA 0.000 0.000 . 0 "[ . 1]"
1 97 TYR 0.000 0.000 . 0 "[ . 1]"
1 98 LYS 0.000 0.000 . 0 "[ . 1]"
1 99 THR 0.000 0.000 . 0 "[ . 1]"
1 100 THR 0.000 0.000 . 0 "[ . 1]"
1 101 GLN 0.000 0.000 . 0 "[ . 1]"
1 102 VAL 0.000 0.000 . 0 "[ . 1]"
1 103 GLU 0.000 0.000 . 0 "[ . 1]"
1 104 LYS 0.000 0.000 . 0 "[ . 1]"
1 105 HIS 0.000 0.000 . 0 "[ . 1]"
1 106 ILE 0.000 0.000 . 0 "[ . 1]"
1 107 ILE 0.000 0.000 . 0 "[ . 1]"
1 108 VAL 0.000 0.000 . 0 "[ . 1]"
1 109 ALA 0.000 0.000 . 0 "[ . 1]"
1 110 CYS 0.000 0.000 . 0 "[ . 1]"
1 111 GLY 0.000 0.000 . 0 "[ . 1]"
1 112 GLY 0.000 0.000 . 0 "[ . 1]"
1 113 LYS 0.000 0.000 . 0 "[ . 1]"
1 114 PRO 0.000 0.000 . 0 "[ . 1]"
1 115 SER 0.000 0.000 . 0 "[ . 1]"
1 116 VAL 0.000 0.000 . 0 "[ . 1]"
1 117 PRO 0.000 0.000 . 0 "[ . 1]"
1 118 VAL 0.000 0.000 . 0 "[ . 1]"
1 119 HIS 0.000 0.000 . 0 "[ . 1]"
1 120 PHE 0.278 0.278 4 0 "[ . 1]"
1 121 ASP 0.000 0.000 . 0 "[ . 1]"
1 122 ALA 0.278 0.278 4 0 "[ . 1]"
1 123 SER 0.000 0.000 . 0 "[ . 1]"
1 124 VAL 0.000 0.000 . 0 "[ . 1]"
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 2 GLU H 1 2 GLU HB2 3.730 . 4.230 3.133 2.597 3.608 . 0 0 "[ . 1]" 1
2 1 2 GLU H 1 3 SER H 5.500 . 6.000 4.231 3.652 4.643 . 0 0 "[ . 1]" 1
3 1 4 ALA H 1 7 LYS H 5.500 . 6.000 4.252 3.965 4.685 . 0 0 "[ . 1]" 1
4 1 4 ALA H 1 5 ALA H 4.010 . 4.510 3.788 3.666 3.895 . 0 0 "[ . 1]" 1
5 1 3 SER HA 1 4 ALA H 3.610 . 4.110 2.761 2.604 2.888 . 0 0 "[ . 1]" 1
6 1 5 ALA H 1 6 ALA H 3.640 . 4.140 3.093 2.920 3.294 . 0 0 "[ . 1]" 1
7 1 4 ALA HA 1 5 ALA H 4.790 . 5.290 3.579 3.562 3.594 . 0 0 "[ . 1]" 1
8 1 6 ALA H 1 7 LYS H 3.640 . 4.140 2.896 2.819 2.976 . 0 0 "[ . 1]" 1
9 1 5 ALA HA 1 6 ALA H 4.570 . 5.070 3.590 3.569 3.617 . 0 0 "[ . 1]" 1
10 1 7 LYS H 1 8 PHE H 3.730 . 4.230 2.484 2.292 2.825 . 0 0 "[ . 1]" 1
11 1 6 ALA HA 1 7 LYS H 4.820 . 5.320 3.573 3.530 3.621 . 0 0 "[ . 1]" 1
12 1 5 ALA HA 1 7 LYS H 5.500 . 6.000 4.418 4.090 5.014 . 0 0 "[ . 1]" 1
13 1 7 LYS H 1 7 LYS HB2 3.700 . 4.200 2.657 2.277 2.885 . 0 0 "[ . 1]" 1
14 1 8 PHE H 1 9 GLU H 3.890 . 4.390 2.843 2.789 2.929 . 0 0 "[ . 1]" 1
15 1 4 ALA HA 1 8 PHE H 5.410 . 5.910 3.949 3.833 4.093 . 0 0 "[ . 1]" 1
16 1 7 LYS HA 1 8 PHE H 5.040 . 5.540 3.572 3.547 3.596 . 0 0 "[ . 1]" 1
17 1 8 PHE H 1 8 PHE HB2 3.580 . 4.080 2.940 2.846 3.054 . 0 0 "[ . 1]" 1
18 1 7 LYS HB2 1 8 PHE H 3.950 . 4.450 3.826 3.505 4.012 . 0 0 "[ . 1]" 1
19 1 8 PHE HB2 1 9 GLU H 4.010 . 4.510 3.966 3.893 4.035 . 0 0 "[ . 1]" 1
20 1 6 ALA HA 1 9 GLU H 4.350 . 4.850 3.784 3.472 3.917 . 0 0 "[ . 1]" 1
21 1 8 PHE HA 1 9 GLU H 5.160 . 5.660 3.577 3.553 3.604 . 0 0 "[ . 1]" 1
22 1 9 GLU H 1 9 GLU HB2 3.450 . 3.950 2.295 2.245 2.346 . 0 0 "[ . 1]" 1
23 1 8 PHE H 1 10 ARG H 5.500 . 6.000 4.455 4.213 4.685 . 0 0 "[ . 1]" 1
24 1 9 GLU HA 1 10 ARG H 5.500 . 6.000 3.632 3.594 3.659 . 0 0 "[ . 1]" 1
25 1 7 LYS HA 1 10 ARG H 5.070 . 5.570 3.356 3.173 3.566 . 0 0 "[ . 1]" 1
26 1 9 GLU HB2 1 10 ARG H 4.540 . 5.040 2.530 2.299 2.882 . 0 0 "[ . 1]" 1
27 1 10 ARG H 1 10 ARG HB2 3.890 . 4.390 2.539 2.386 2.738 . 0 0 "[ . 1]" 1
28 1 10 ARG H 1 11 GLN H 4.480 . 4.980 2.902 2.759 3.054 . 0 0 "[ . 1]" 1
29 1 12 HIS H 1 13 MET H 3.640 . 4.140 2.117 1.770 2.431 0.030 9 0 "[ . 1]" 1
30 1 11 GLN H 1 13 MET H 5.500 . 6.000 4.161 3.604 4.472 . 0 0 "[ . 1]" 1
31 1 11 GLN H 1 12 HIS H 3.730 . 4.230 2.614 2.161 2.858 . 0 0 "[ . 1]" 1
32 1 7 LYS HA 1 11 GLN H 5.500 . 6.000 4.141 3.886 4.750 . 0 0 "[ . 1]" 1
33 1 8 PHE HA 1 11 GLN H 5.500 . 6.000 3.736 3.492 3.954 . 0 0 "[ . 1]" 1
34 1 10 ARG HA 1 11 GLN H 5.500 . 6.000 3.507 3.438 3.572 . 0 0 "[ . 1]" 1
35 1 11 GLN H 1 11 GLN HB2 3.730 . 4.230 2.562 2.274 3.799 . 0 0 "[ . 1]" 1
36 1 8 PHE HA 1 12 HIS H 5.380 . 5.880 4.654 3.822 5.220 . 0 0 "[ . 1]" 1
37 1 11 GLN HA 1 12 HIS H 5.500 . 6.000 3.467 3.273 3.610 . 0 0 "[ . 1]" 1
38 1 9 GLU HA 1 12 HIS H 5.500 . 6.000 3.619 3.246 4.013 . 0 0 "[ . 1]" 1
39 1 11 GLN HB2 1 12 HIS H 4.630 . 5.130 3.296 2.426 4.423 . 0 0 "[ . 1]" 1
40 1 12 HIS HA 1 13 MET H 5.500 . 6.000 3.534 3.394 3.628 . 0 0 "[ . 1]" 1
41 1 9 GLU HA 1 13 MET H 4.510 . 5.010 2.942 2.326 3.396 . 0 0 "[ . 1]" 1
42 1 13 MET H 1 13 MET HB2 4.200 . 4.700 2.757 2.151 3.689 . 0 0 "[ . 1]" 1
43 1 14 ASP H 1 47 VAL H 5.310 . 5.810 3.148 2.647 4.247 . 0 0 "[ . 1]" 1
44 1 13 MET HA 1 14 ASP H 3.080 . 3.580 2.250 2.169 2.430 . 0 0 "[ . 1]" 1
45 1 14 ASP H 1 15 SER H 5.500 . 6.000 3.583 2.359 4.300 . 0 0 "[ . 1]" 1
46 1 14 ASP HA 1 15 SER H 3.330 . 3.830 2.729 2.199 3.539 . 0 0 "[ . 1]" 1
47 1 14 ASP HB2 1 15 SER H 5.500 . 6.000 4.041 3.615 4.576 . 0 0 "[ . 1]" 1
48 1 15 SER H 1 16 GLY H 5.280 . 5.780 3.547 1.857 4.760 . 0 0 "[ . 1]" 1
49 1 15 SER HA 1 16 GLY H 3.670 . 4.170 2.727 2.054 3.546 . 0 0 "[ . 1]" 1
50 1 17 ASN H 1 18 SER H 5.250 . 5.750 3.943 2.608 4.669 . 0 0 "[ . 1]" 1
51 1 16 GLY H 1 17 ASN H 4.820 . 5.320 4.227 3.160 4.635 . 0 0 "[ . 1]" 1
52 1 16 GLY HA2 1 17 ASN H 4.010 . 4.510 2.529 2.169 3.561 . 0 0 "[ . 1]" 1
53 1 17 ASN HA 1 18 SER H 3.640 . 4.140 2.633 2.199 3.605 . 0 0 "[ . 1]" 1
54 1 17 ASN HB2 1 18 SER H 4.660 . 5.160 4.126 3.740 4.659 . 0 0 "[ . 1]" 1
55 1 20 SER H 1 21 SER H 5.280 . 5.780 3.752 2.770 4.703 . 0 0 "[ . 1]" 1
56 1 20 SER H 1 20 SER HB2 3.980 . 4.480 3.761 3.320 4.056 . 0 0 "[ . 1]" 1
57 1 19 PRO HA 1 20 SER H 3.420 . 3.920 2.604 2.201 3.631 . 0 0 "[ . 1]" 1
58 1 21 SER H 1 22 SER H 4.660 . 5.160 4.074 2.202 4.670 . 0 0 "[ . 1]" 1
59 1 20 SER HA 1 21 SER H 3.950 . 4.450 3.003 2.220 3.573 . 0 0 "[ . 1]" 1
60 1 21 SER H 1 21 SER HB2 3.700 . 4.200 3.338 2.479 3.957 . 0 0 "[ . 1]" 1
61 1 20 SER HB2 1 21 SER H 5.250 . 5.750 2.988 1.941 4.330 . 0 0 "[ . 1]" 1
62 1 21 SER HA 1 22 SER H 4.200 . 4.700 2.869 2.149 3.582 . 0 0 "[ . 1]" 1
63 1 22 SER HA 1 23 SER H 4.630 . 5.130 3.363 2.592 3.597 . 0 0 "[ . 1]" 1
64 1 24 ASN H 1 25 TYR H 4.850 . 5.350 3.235 2.845 4.136 . 0 0 "[ . 1]" 1
65 1 24 ASN HA 1 25 TYR H 4.140 . 4.640 3.592 3.390 3.639 . 0 0 "[ . 1]" 1
66 1 25 TYR H 1 25 TYR HB2 3.390 . 3.890 2.803 2.383 3.485 . 0 0 "[ . 1]" 1
67 1 25 TYR HB2 1 26 CYS H 4.510 . 5.010 2.738 2.455 3.774 . 0 0 "[ . 1]" 1
68 1 25 TYR HA 1 26 CYS H 5.500 . 6.000 3.525 3.500 3.554 . 0 0 "[ . 1]" 1
69 1 26 CYS H 1 26 CYS HB2 4.070 . 4.570 2.164 2.061 2.298 . 0 0 "[ . 1]" 1
70 1 24 ASN HA 1 26 CYS H 4.070 . 4.570 4.402 4.332 4.482 . 0 0 "[ . 1]" 1
71 1 27 ASN H 1 27 ASN HB2 4.040 . 4.540 2.468 2.394 2.516 . 0 0 "[ . 1]" 1
72 1 26 CYS HB2 1 27 ASN H 4.600 . 5.100 2.593 2.284 2.941 . 0 0 "[ . 1]" 1
73 1 24 ASN HA 1 27 ASN H 4.480 . 4.980 4.004 3.689 4.506 . 0 0 "[ . 1]" 1
74 1 27 ASN H 1 28 LEU H 3.760 . 4.260 2.597 2.494 2.705 . 0 0 "[ . 1]" 1
75 1 28 LEU H 1 29 MET H 3.790 . 4.290 2.960 2.904 2.995 . 0 0 "[ . 1]" 1
76 1 27 ASN HA 1 28 LEU H 5.310 . 5.810 3.577 3.554 3.592 . 0 0 "[ . 1]" 1
77 1 25 TYR HA 1 28 LEU H 5.500 . 6.000 3.769 3.640 3.903 . 0 0 "[ . 1]" 1
78 1 28 LEU H 1 31 CYS HB2 5.500 . 6.000 5.566 5.524 5.602 . 0 0 "[ . 1]" 1
79 1 27 ASN HB2 1 28 LEU H 3.450 . 3.950 2.647 2.491 2.745 . 0 0 "[ . 1]" 1
80 1 28 LEU H 1 28 LEU HB2 3.330 . 3.830 2.367 2.266 2.465 . 0 0 "[ . 1]" 1
81 1 28 LEU HA 1 29 MET H 5.310 . 5.810 3.628 3.606 3.647 . 0 0 "[ . 1]" 1
82 1 26 CYS HA 1 29 MET H 5.440 . 5.940 4.324 4.168 4.480 . 0 0 "[ . 1]" 1
83 1 25 TYR HA 1 29 MET H 5.500 . 6.000 3.418 3.056 3.815 . 0 0 "[ . 1]" 1
84 1 28 LEU HB2 1 29 MET H 3.580 . 4.080 3.677 3.646 3.731 . 0 0 "[ . 1]" 1
85 1 29 MET H 1 30 MET H 4.010 . 4.510 2.773 2.647 2.894 . 0 0 "[ . 1]" 1
86 1 30 MET H 1 31 CYS H 3.760 . 4.260 2.820 2.773 2.898 . 0 0 "[ . 1]" 1
87 1 28 LEU H 1 30 MET H 5.500 . 6.000 4.338 4.181 4.475 . 0 0 "[ . 1]" 1
88 1 31 CYS H 1 32 CYS H 3.700 . 4.200 2.779 2.702 2.897 . 0 0 "[ . 1]" 1
89 1 29 MET HA 1 30 MET H 5.500 . 6.000 3.628 3.585 3.665 . 0 0 "[ . 1]" 1
90 1 26 CYS HA 1 30 MET H 5.130 . 5.630 4.218 3.887 4.571 . 0 0 "[ . 1]" 1
91 1 30 MET H 1 30 MET HB2 3.610 . 4.110 2.507 2.300 3.640 . 0 0 "[ . 1]" 1
92 1 29 MET HB2 1 30 MET H 4.540 . 5.040 3.837 3.694 4.100 . 0 0 "[ . 1]" 1
93 1 27 ASN HA 1 31 CYS H 5.500 . 6.000 3.824 3.654 3.958 . 0 0 "[ . 1]" 1
94 1 30 MET HA 1 31 CYS H 5.500 . 6.000 3.580 3.552 3.602 . 0 0 "[ . 1]" 1
95 1 28 LEU HA 1 31 CYS H 5.500 . 6.000 3.843 3.699 3.998 . 0 0 "[ . 1]" 1
96 1 31 CYS H 1 31 CYS HB2 3.700 . 4.200 2.579 2.527 2.621 . 0 0 "[ . 1]" 1
97 1 30 MET HB2 1 31 CYS H 5.340 . 5.840 2.959 2.546 4.083 . 0 0 "[ . 1]" 1
98 1 32 CYS H 1 33 ARG H 4.040 . 4.540 2.830 2.757 2.899 . 0 0 "[ . 1]" 1
99 1 31 CYS HA 1 32 CYS H 5.500 . 6.000 3.589 3.577 3.604 . 0 0 "[ . 1]" 1
100 1 29 MET HA 1 32 CYS H 4.540 . 5.040 3.452 3.281 3.626 . 0 0 "[ . 1]" 1
101 1 28 LEU HA 1 32 CYS H 5.500 . 6.000 3.921 3.824 4.032 . 0 0 "[ . 1]" 1
102 1 32 CYS H 1 32 CYS HB2 4.070 . 4.570 2.485 2.356 2.594 . 0 0 "[ . 1]" 1
103 1 31 CYS HB2 1 32 CYS H 4.070 . 4.570 3.799 3.750 3.878 . 0 0 "[ . 1]" 1
104 1 31 CYS H 1 33 ARG H 5.500 . 6.000 4.217 4.055 4.363 . 0 0 "[ . 1]" 1
105 1 32 CYS HA 1 33 ARG H 5.380 . 5.880 3.581 3.556 3.603 . 0 0 "[ . 1]" 1
106 1 29 MET HA 1 33 ARG H 5.500 . 6.000 3.699 3.353 3.984 . 0 0 "[ . 1]" 1
107 1 32 CYS HB2 1 33 ARG H 5.100 . 5.600 3.482 2.685 4.018 . 0 0 "[ . 1]" 1
108 1 33 ARG H 1 34 LYS H 4.970 . 5.470 2.473 2.294 2.848 . 0 0 "[ . 1]" 1
109 1 33 ARG HA 1 34 LYS H 4.970 . 5.470 3.411 3.170 3.644 . 0 0 "[ . 1]" 1
110 1 31 CYS HA 1 34 LYS H 5.160 . 5.660 3.500 3.260 4.063 . 0 0 "[ . 1]" 1
111 1 33 ARG HB2 1 34 LYS H 5.500 . 6.000 3.549 2.473 3.879 . 0 0 "[ . 1]" 1
112 1 34 LYS H 1 35 MET H 4.350 . 4.850 2.703 2.345 3.256 . 0 0 "[ . 1]" 1
113 1 35 MET H 1 37 GLN H 5.410 . 5.910 5.100 4.426 5.568 . 0 0 "[ . 1]" 1
114 1 34 LYS HA 1 35 MET H 4.450 . 4.950 2.669 2.461 3.575 . 0 0 "[ . 1]" 1
115 1 34 LYS HB2 1 35 MET H 5.250 . 5.750 4.451 3.282 4.649 . 0 0 "[ . 1]" 1
116 1 35 MET H 1 36 THR H 3.330 . 3.830 2.739 2.372 3.351 . 0 0 "[ . 1]" 1
117 1 36 THR H 1 37 GLN HA 5.500 . 6.000 5.046 3.956 5.473 . 0 0 "[ . 1]" 1
118 1 34 LYS HA 1 36 THR H 4.760 . 5.260 3.410 2.852 4.706 . 0 0 "[ . 1]" 1
119 1 36 THR H 1 37 GLN HB2 5.500 . 6.000 5.104 4.348 5.601 . 0 0 "[ . 1]" 1
120 1 35 MET HB2 1 36 THR H 4.940 . 5.440 3.280 2.568 4.494 . 0 0 "[ . 1]" 1
121 1 36 THR H 1 37 GLN H 3.450 . 3.950 3.139 2.389 3.565 . 0 0 "[ . 1]" 1
122 1 36 THR HA 1 37 GLN H 4.260 . 4.760 2.830 2.546 3.482 . 0 0 "[ . 1]" 1
123 1 34 LYS HA 1 37 GLN H 5.500 . 6.000 5.340 3.835 5.727 . 0 0 "[ . 1]" 1
124 1 37 GLN H 1 37 GLN HB2 3.050 . 3.550 2.322 2.155 2.481 . 0 0 "[ . 1]" 1
125 1 37 GLN HA 1 38 GLY H 4.200 . 4.700 3.140 2.220 3.604 . 0 0 "[ . 1]" 1
126 1 37 GLN HB2 1 38 GLY H 5.500 . 6.000 3.026 2.103 4.513 . 0 0 "[ . 1]" 1
127 1 38 GLY H 1 39 LYS H 5.250 . 5.750 2.787 2.089 3.613 . 0 0 "[ . 1]" 1
128 1 39 LYS H 1 40 CYS H 5.310 . 5.810 4.213 3.999 4.304 . 0 0 "[ . 1]" 1
129 1 38 GLY HA2 1 39 LYS H 4.290 . 4.790 3.505 3.155 3.605 . 0 0 "[ . 1]" 1
130 1 37 GLN HA 1 39 LYS H 5.500 . 6.000 4.675 4.095 5.489 . 0 0 "[ . 1]" 1
131 1 36 THR HA 1 39 LYS H 5.500 . 6.000 4.057 3.346 5.517 . 0 0 "[ . 1]" 1
132 1 37 GLN HB2 1 39 LYS H 5.500 . 6.000 4.365 3.378 5.681 . 0 0 "[ . 1]" 1
133 1 36 THR HA 1 40 CYS H 5.500 . 6.000 4.640 3.675 5.091 . 0 0 "[ . 1]" 1
134 1 39 LYS HA 1 40 CYS H 3.610 . 4.110 2.382 2.141 2.644 . 0 0 "[ . 1]" 1
135 1 39 LYS HB2 1 40 CYS H 4.350 . 4.850 2.540 2.168 3.139 . 0 0 "[ . 1]" 1
136 1 40 CYS HA 1 41 LYS H 3.580 . 4.080 2.522 2.256 2.836 . 0 0 "[ . 1]" 1
137 1 36 THR HA 1 41 LYS H 4.910 . 5.410 4.665 4.032 5.114 . 0 0 "[ . 1]" 1
138 1 40 CYS HB2 1 41 LYS H 5.190 . 5.690 3.281 2.272 4.335 . 0 0 "[ . 1]" 1
139 1 41 LYS H 1 41 LYS HB2 3.580 . 4.080 2.356 2.192 2.611 . 0 0 "[ . 1]" 1
140 1 42 PRO HA 1 43 VAL H 4.140 . 4.640 3.561 3.527 3.592 . 0 0 "[ . 1]" 1
141 1 43 VAL H 1 43 VAL HB 3.790 . 4.290 3.835 3.786 3.872 . 0 0 "[ . 1]" 1
142 1 42 PRO HB2 1 43 VAL H 4.970 . 5.470 3.510 3.390 3.599 . 0 0 "[ . 1]" 1
143 1 43 VAL H 1 44 ASN H 5.470 . 5.970 4.285 4.153 4.377 . 0 0 "[ . 1]" 1
144 1 44 ASN H 1 83 ASP HA 5.500 . 6.000 5.044 4.776 5.336 . 0 0 "[ . 1]" 1
145 1 44 ASN H 1 45 THR H 5.500 . 6.000 4.046 3.727 4.371 . 0 0 "[ . 1]" 1
146 1 44 ASN HA 1 45 THR H 3.450 . 3.950 2.337 2.236 2.549 . 0 0 "[ . 1]" 1
147 1 45 THR H 1 45 THR HB 4.200 . 4.700 2.652 2.455 2.853 . 0 0 "[ . 1]" 1
148 1 44 ASN HB2 1 45 THR H 5.500 . 6.000 4.393 3.946 4.673 . 0 0 "[ . 1]" 1
149 1 46 PHE H 1 81 ILE HA 5.500 . 6.000 5.082 4.634 5.454 . 0 0 "[ . 1]" 1
150 1 46 PHE HA 1 47 VAL H 3.920 . 4.420 2.284 2.167 2.435 . 0 0 "[ . 1]" 1
151 1 47 VAL H 1 47 VAL HB 3.950 . 4.450 2.533 2.307 2.838 . 0 0 "[ . 1]" 1
152 1 48 HIS H 1 49 GLU H 4.820 . 5.320 3.735 3.346 4.206 . 0 0 "[ . 1]" 1
153 1 47 VAL HA 1 48 HIS H 4.010 . 4.510 2.252 2.163 2.426 . 0 0 "[ . 1]" 1
154 1 48 HIS H 1 81 ILE HA 5.280 . 5.780 2.936 2.739 3.250 . 0 0 "[ . 1]" 1
155 1 48 HIS HA 1 49 GLU H 4.660 . 5.160 2.278 2.130 2.439 . 0 0 "[ . 1]" 1
156 1 15 SER HA 1 49 GLU H 4.910 . 5.410 2.973 2.087 4.345 . 0 0 "[ . 1]" 1
157 1 49 GLU H 1 50 SER H 5.500 . 6.000 4.203 4.021 4.320 . 0 0 "[ . 1]" 1
158 1 50 SER H 1 51 LEU H 5.500 . 6.000 4.428 3.899 4.602 . 0 0 "[ . 1]" 1
159 1 49 GLU HA 1 50 SER H 3.520 . 4.020 2.912 2.588 3.377 . 0 0 "[ . 1]" 1
160 1 50 SER H 1 53 ASP HB2 4.880 . 5.380 3.912 3.143 4.709 . 0 0 "[ . 1]" 1
161 1 49 GLU HB2 1 50 SER H 4.720 . 5.220 3.475 2.237 3.717 . 0 0 "[ . 1]" 1
162 1 51 LEU H 1 52 ALA H 4.010 . 4.510 3.072 2.822 3.959 . 0 0 "[ . 1]" 1
163 1 51 LEU H 1 53 ASP H 5.500 . 6.000 4.244 4.121 4.586 . 0 0 "[ . 1]" 1
164 1 50 SER HA 1 51 LEU H 3.420 . 3.920 2.184 2.066 2.246 . 0 0 "[ . 1]" 1
165 1 13 MET HB2 1 14 ASP H 5.500 . 6.000 4.414 3.962 4.654 . 0 0 "[ . 1]" 1
166 1 51 LEU H 1 51 LEU HB2 3.480 . 3.980 2.364 2.293 2.528 . 0 0 "[ . 1]" 1
167 1 51 LEU HA 1 52 ALA H 4.420 . 4.920 3.576 3.552 3.597 . 0 0 "[ . 1]" 1
168 1 50 SER HA 1 52 ALA H 5.500 . 6.000 4.256 3.567 5.054 . 0 0 "[ . 1]" 1
169 1 50 SER HB2 1 52 ALA H 5.000 . 5.500 4.439 3.474 5.050 . 0 0 "[ . 1]" 1
170 1 51 LEU HB2 1 52 ALA H 4.540 . 5.040 3.830 3.673 4.027 . 0 0 "[ . 1]" 1
171 1 52 ALA H 1 53 ASP H 4.200 . 4.700 2.779 2.590 2.877 . 0 0 "[ . 1]" 1
172 1 53 ASP H 1 55 LYS H 5.500 . 6.000 3.904 3.660 4.426 . 0 0 "[ . 1]" 1
173 1 52 ALA H 1 54 VAL H 5.500 . 6.000 4.478 4.268 4.865 . 0 0 "[ . 1]" 1
174 1 52 ALA HA 1 53 ASP H 4.880 . 5.380 3.576 3.544 3.660 . 0 0 "[ . 1]" 1
175 1 53 ASP H 1 53 ASP HB2 3.950 . 4.450 2.454 2.257 2.838 . 0 0 "[ . 1]" 1
176 1 50 SER HA 1 53 ASP H 5.500 . 6.000 4.491 4.219 5.009 . 0 0 "[ . 1]" 1
177 1 51 LEU HA 1 54 VAL H 4.690 . 5.190 3.604 3.151 4.242 . 0 0 "[ . 1]" 1
178 1 53 ASP HA 1 54 VAL H 5.100 . 5.600 3.588 3.558 3.612 . 0 0 "[ . 1]" 1
179 1 54 VAL H 1 55 LYS HB2 5.500 . 6.000 5.064 4.698 5.509 . 0 0 "[ . 1]" 1
180 1 53 ASP HB2 1 54 VAL H 4.820 . 5.320 3.580 2.750 3.927 . 0 0 "[ . 1]" 1
181 1 54 VAL H 1 55 LYS H 3.580 . 4.080 2.931 2.803 3.109 . 0 0 "[ . 1]" 1
182 1 54 VAL HA 1 55 LYS H 5.130 . 5.630 3.595 3.575 3.631 . 0 0 "[ . 1]" 1
183 1 54 VAL H 1 56 ALA H 5.500 . 6.000 4.294 4.041 4.475 . 0 0 "[ . 1]" 1
184 1 55 LYS H 1 56 ALA H 3.550 . 4.050 2.816 2.672 2.944 . 0 0 "[ . 1]" 1
185 1 53 ASP HA 1 56 ALA H 4.720 . 5.220 3.120 2.959 3.252 . 0 0 "[ . 1]" 1
186 1 55 LYS HA 1 56 ALA H 4.910 . 5.410 3.588 3.543 3.603 . 0 0 "[ . 1]" 1
187 1 54 VAL HA 1 56 ALA H 5.500 . 6.000 4.476 4.096 4.679 . 0 0 "[ . 1]" 1
188 1 57 VAL H 1 58 CYS H 3.920 . 4.420 3.046 2.926 3.165 . 0 0 "[ . 1]" 1
189 1 57 VAL H 1 59 SER H 5.500 . 6.000 4.270 3.978 4.472 . 0 0 "[ . 1]" 1
190 1 55 LYS H 1 57 VAL H 5.500 . 6.000 4.401 4.128 4.740 . 0 0 "[ . 1]" 1
191 1 57 VAL H 1 57 VAL HB 3.080 . 3.580 2.456 2.251 2.703 . 0 0 "[ . 1]" 1
192 1 56 ALA HA 1 57 VAL H 4.720 . 5.220 3.590 3.542 3.631 . 0 0 "[ . 1]" 1
193 1 56 ALA HA 1 58 CYS H 5.440 . 5.940 4.482 4.209 4.723 . 0 0 "[ . 1]" 1
194 1 55 LYS HA 1 58 CYS H 5.500 . 6.000 3.810 3.414 4.413 . 0 0 "[ . 1]" 1
195 1 54 VAL HA 1 58 CYS H 5.500 . 6.000 4.314 3.860 4.730 . 0 0 "[ . 1]" 1
196 1 57 VAL HB 1 58 CYS H 4.570 . 5.070 2.781 2.415 4.262 . 0 0 "[ . 1]" 1
197 1 59 SER H 1 60 GLN H 3.520 . 4.020 2.806 2.478 3.481 . 0 0 "[ . 1]" 1
198 1 58 CYS H 1 59 SER H 3.670 . 4.170 2.838 2.503 3.194 . 0 0 "[ . 1]" 1
199 1 58 CYS HA 1 59 SER H 4.880 . 5.380 3.546 3.463 3.605 . 0 0 "[ . 1]" 1
200 1 57 VAL HA 1 59 SER H 4.910 . 5.410 4.118 3.849 4.606 . 0 0 "[ . 1]" 1
201 1 56 ALA HA 1 59 SER H 4.820 . 5.320 3.474 3.281 3.771 . 0 0 "[ . 1]" 1
202 1 58 CYS HB2 1 59 SER H 4.820 . 5.320 4.286 3.829 4.441 . 0 0 "[ . 1]" 1
203 1 59 SER H 1 60 GLN HB2 5.500 . 6.000 3.864 3.503 4.561 . 0 0 "[ . 1]" 1
204 1 60 GLN H 1 61 LYS H 4.790 . 5.290 3.214 2.876 3.665 . 0 0 "[ . 1]" 1
205 1 58 CYS H 1 60 GLN H 5.340 . 5.840 4.405 4.090 4.760 . 0 0 "[ . 1]" 1
206 1 59 SER HA 1 60 GLN H 3.860 . 4.360 3.039 2.743 3.226 . 0 0 "[ . 1]" 1
207 1 58 CYS HA 1 60 GLN H 5.500 . 6.000 3.819 3.590 4.315 . 0 0 "[ . 1]" 1
208 1 57 VAL HA 1 60 GLN H 4.820 . 5.320 3.723 3.106 4.522 . 0 0 "[ . 1]" 1
209 1 60 GLN H 1 60 GLN HB2 3.330 . 3.830 2.536 2.359 2.864 . 0 0 "[ . 1]" 1
210 1 61 LYS H 1 62 LYS H 5.500 . 6.000 4.117 3.972 4.276 . 0 0 "[ . 1]" 1
211 1 61 LYS H 1 74 GLN H 5.130 . 5.630 3.822 3.502 4.396 . 0 0 "[ . 1]" 1
212 1 63 VAL H 1 74 GLN H 5.500 . 6.000 3.692 3.321 3.977 . 0 0 "[ . 1]" 1
213 1 61 LYS H 1 76 LYS H 5.500 . 6.000 5.359 4.742 5.625 . 0 0 "[ . 1]" 1
214 1 60 GLN HA 1 61 LYS H 4.480 . 4.980 3.553 3.398 3.651 . 0 0 "[ . 1]" 1
215 1 61 LYS H 1 61 LYS HB2 4.070 . 4.570 2.561 2.291 2.977 . 0 0 "[ . 1]" 1
216 1 57 VAL HA 1 61 LYS H 5.500 . 6.000 4.348 3.563 4.607 . 0 0 "[ . 1]" 1
217 1 60 GLN HB2 1 61 LYS H 4.260 . 4.760 3.179 2.427 3.594 . 0 0 "[ . 1]" 1
218 1 61 LYS HA 1 62 LYS H 3.020 . 3.520 2.222 2.176 2.308 . 0 0 "[ . 1]" 1
219 1 62 LYS H 1 62 LYS HB2 3.830 . 4.330 2.319 2.155 2.599 . 0 0 "[ . 1]" 1
220 1 61 LYS HB2 1 62 LYS H 5.500 . 6.000 4.539 4.399 4.619 . 0 0 "[ . 1]" 1
221 1 63 VAL H 1 72 CYS H 5.500 . 6.000 4.457 3.749 4.871 . 0 0 "[ . 1]" 1
222 1 63 VAL H 1 73 TYR HA 4.320 . 4.820 2.620 2.360 2.907 . 0 0 "[ . 1]" 1
223 1 62 LYS HB2 1 63 VAL H 4.540 . 5.040 4.401 4.175 4.559 . 0 0 "[ . 1]" 1
224 1 63 VAL HA 1 64 THR H 3.610 . 4.110 2.368 2.253 2.495 . 0 0 "[ . 1]" 1
225 1 64 THR H 1 64 THR HB 3.700 . 4.200 2.521 2.445 2.640 . 0 0 "[ . 1]" 1
226 1 63 VAL HB 1 64 THR H 3.050 . 3.550 2.561 2.225 3.022 . 0 0 "[ . 1]" 1
227 1 64 THR H 1 65 CYS H 5.500 . 6.000 4.338 3.916 4.505 . 0 0 "[ . 1]" 1
228 1 64 THR HB 1 65 CYS H 5.070 . 5.570 4.304 4.123 4.497 . 0 0 "[ . 1]" 1
229 1 64 THR HA 1 65 CYS H 3.520 . 4.020 2.199 2.148 2.278 . 0 0 "[ . 1]" 1
230 1 65 CYS H 1 66 LYS H 5.500 . 6.000 4.625 4.443 4.717 . 0 0 "[ . 1]" 1
231 1 65 CYS HA 1 66 LYS H 3.550 . 4.050 2.548 2.383 2.761 . 0 0 "[ . 1]" 1
232 1 65 CYS HB2 1 66 LYS H 4.010 . 4.510 3.335 2.284 3.837 . 0 0 "[ . 1]" 1
233 1 66 LYS H 1 66 LYS HB2 4.170 . 4.670 2.679 2.306 3.599 . 0 0 "[ . 1]" 1
234 1 65 CYS H 1 67 ASP H 5.500 . 6.000 4.469 3.772 5.082 . 0 0 "[ . 1]" 1
235 1 65 CYS H 1 68 GLY H 5.500 . 6.000 3.951 3.273 4.490 . 0 0 "[ . 1]" 1
236 1 66 LYS H 1 67 ASP H 4.230 . 4.730 3.377 2.823 3.575 . 0 0 "[ . 1]" 1
237 1 66 LYS HA 1 67 ASP H 4.720 . 5.220 2.716 2.397 3.524 . 0 0 "[ . 1]" 1
238 1 65 CYS HB2 1 67 ASP H 3.610 . 4.110 3.486 3.029 3.820 . 0 0 "[ . 1]" 1
239 1 66 LYS HB2 1 67 ASP H 4.570 . 5.070 4.497 4.063 4.617 . 0 0 "[ . 1]" 1
240 1 67 ASP HA 1 68 GLY H 4.420 . 4.920 3.515 3.445 3.569 . 0 0 "[ . 1]" 1
241 1 66 LYS HA 1 68 GLY H 5.250 . 5.750 4.785 3.730 5.522 . 0 0 "[ . 1]" 1
242 1 67 ASP HB2 1 68 GLY H 5.500 . 6.000 3.603 3.045 4.230 . 0 0 "[ . 1]" 1
243 1 68 GLY H 1 69 GLN HB2 5.500 . 6.000 4.206 3.392 4.840 . 0 0 "[ . 1]" 1
244 1 68 GLY HA2 1 69 GLN H 5.100 . 5.600 3.015 2.819 3.255 . 0 0 "[ . 1]" 1
245 1 67 ASP HA 1 69 GLN H 5.500 . 6.000 4.754 4.528 5.410 . 0 0 "[ . 1]" 1
246 1 69 GLN H 1 69 GLN HB2 4.170 . 4.670 2.613 2.338 3.112 . 0 0 "[ . 1]" 1
247 1 69 GLN H 1 70 THR H 4.760 . 5.260 3.100 1.989 4.586 . 0 0 "[ . 1]" 1
248 1 70 THR H 1 71 ASN H 5.250 . 5.750 4.371 3.086 4.660 . 0 0 "[ . 1]" 1
249 1 69 GLN HA 1 70 THR H 4.350 . 4.850 3.286 2.319 3.647 . 0 0 "[ . 1]" 1
250 1 70 THR H 1 70 THR HB 4.100 . 4.600 3.434 2.687 4.022 . 0 0 "[ . 1]" 1
251 1 69 GLN HB2 1 70 THR H 4.510 . 5.010 3.837 3.446 4.200 . 0 0 "[ . 1]" 1
252 1 71 ASN H 1 72 CYS H 5.250 . 5.750 3.616 2.217 4.439 . 0 0 "[ . 1]" 1
253 1 70 THR HA 1 71 ASN H 4.200 . 4.700 2.616 2.283 3.355 . 0 0 "[ . 1]" 1
254 1 70 THR HB 1 71 ASN H 4.940 . 5.440 3.176 2.326 4.593 . 0 0 "[ . 1]" 1
255 1 71 ASN HA 1 72 CYS H 3.920 . 4.420 2.390 2.201 2.627 . 0 0 "[ . 1]" 1
256 1 72 CYS HA 1 73 TYR H 3.890 . 4.390 2.223 2.160 2.330 . 0 0 "[ . 1]" 1
257 1 72 CYS HB2 1 73 TYR H 4.660 . 5.160 3.258 2.355 4.440 . 0 0 "[ . 1]" 1
258 1 74 GLN H 1 75 SER H 5.500 . 6.000 4.512 4.429 4.547 . 0 0 "[ . 1]" 1
259 1 74 GLN H 1 107 ILE HA 5.500 . 6.000 4.616 4.392 4.758 . 0 0 "[ . 1]" 1
260 1 73 TYR HA 1 74 GLN H 2.990 . 3.490 2.164 2.113 2.200 . 0 0 "[ . 1]" 1
261 1 73 TYR HB2 1 74 GLN H 4.850 . 5.350 4.211 4.067 4.338 . 0 0 "[ . 1]" 1
262 1 75 SER H 1 76 LYS H 5.500 . 6.000 4.627 4.523 4.677 . 0 0 "[ . 1]" 1
263 1 74 GLN HB2 1 75 SER H 4.200 . 4.700 4.205 4.126 4.247 . 0 0 "[ . 1]" 1
264 1 76 LYS H 1 77 SER H 3.640 . 4.140 2.893 2.698 3.047 . 0 0 "[ . 1]" 1
265 1 75 SER HA 1 76 LYS H 3.300 . 3.800 2.196 2.032 2.333 . 0 0 "[ . 1]" 1
266 1 75 SER HB2 1 76 LYS H 4.690 . 5.190 3.281 2.556 3.904 . 0 0 "[ . 1]" 1
267 1 76 LYS H 1 76 LYS HB2 3.520 . 4.020 3.557 3.526 3.595 . 0 0 "[ . 1]" 1
268 1 76 LYS HA 1 77 SER H 4.660 . 5.160 3.555 3.526 3.600 . 0 0 "[ . 1]" 1
269 1 75 SER HA 1 77 SER H 4.660 . 5.160 4.299 3.773 4.713 . 0 0 "[ . 1]" 1
270 1 76 LYS HB2 1 77 SER H 3.520 . 4.020 3.447 3.061 3.659 . 0 0 "[ . 1]" 1
271 1 77 SER H 1 78 THR H 5.190 . 5.690 4.424 4.277 4.560 . 0 0 "[ . 1]" 1
272 1 77 SER HB2 1 78 THR H 3.980 . 4.480 2.354 2.161 2.558 . 0 0 "[ . 1]" 1
273 1 77 SER HA 1 78 THR H 3.390 . 3.890 2.612 2.432 2.779 . 0 0 "[ . 1]" 1
274 1 79 MET H 1 104 LYS H 4.100 . 4.600 2.731 2.438 2.944 . 0 0 "[ . 1]" 1
275 1 79 MET H 1 80 ARG H 5.500 . 6.000 4.357 4.319 4.449 . 0 0 "[ . 1]" 1
276 1 78 THR H 1 79 MET H 5.500 . 6.000 4.581 4.554 4.597 . 0 0 "[ . 1]" 1
277 1 79 MET H 1 104 LYS HA 4.660 . 5.160 4.233 4.061 4.482 . 0 0 "[ . 1]" 1
278 1 79 MET H 1 79 MET HB2 4.200 . 4.700 2.773 2.527 3.960 . 0 0 "[ . 1]" 1
279 1 79 MET H 1 105 HIS HA 5.040 . 5.540 3.219 2.918 3.604 . 0 0 "[ . 1]" 1
280 1 79 MET HA 1 80 ARG H 3.450 . 3.950 2.366 2.187 2.541 . 0 0 "[ . 1]" 1
281 1 80 ARG H 1 80 ARG HB2 3.830 . 4.330 2.280 2.163 2.469 . 0 0 "[ . 1]" 1
282 1 81 ILE H 1 104 LYS H 5.410 . 5.910 4.103 3.659 4.701 . 0 0 "[ . 1]" 1
283 1 80 ARG HA 1 81 ILE H 3.300 . 3.800 2.211 2.090 2.308 . 0 0 "[ . 1]" 1
284 1 81 ILE H 1 82 THR H 5.220 . 5.720 4.362 4.282 4.467 . 0 0 "[ . 1]" 1
285 1 45 THR HA 1 82 THR H 5.500 . 6.000 5.096 4.655 5.393 . 0 0 "[ . 1]" 1
286 1 83 ASP H 1 84 CYS H 5.500 . 6.000 4.546 4.466 4.651 . 0 0 "[ . 1]" 1
287 1 83 ASP H 1 102 VAL H 5.500 . 6.000 4.022 3.756 4.448 . 0 0 "[ . 1]" 1
288 1 83 ASP H 1 100 THR H 4.820 . 5.320 2.992 2.772 3.355 . 0 0 "[ . 1]" 1
289 1 83 ASP H 1 101 GLN HA 4.790 . 5.290 3.556 3.057 3.949 . 0 0 "[ . 1]" 1
290 1 83 ASP HA 1 84 CYS H 3.420 . 3.920 2.281 2.147 2.547 . 0 0 "[ . 1]" 1
291 1 45 THR HA 1 84 CYS H 5.000 . 5.500 2.646 2.378 3.072 . 0 0 "[ . 1]" 1
292 1 84 CYS H 1 85 ARG H 5.500 . 6.000 4.362 3.968 4.576 . 0 0 "[ . 1]" 1
293 1 85 ARG H 1 98 LYS H 4.480 . 4.980 2.809 2.713 2.894 . 0 0 "[ . 1]" 1
294 1 84 CYS HA 1 85 ARG H 3.170 . 3.670 2.203 2.169 2.241 . 0 0 "[ . 1]" 1
295 1 85 ARG H 1 99 THR HA 5.500 . 6.000 3.426 3.002 3.922 . 0 0 "[ . 1]" 1
296 1 85 ARG H 1 97 TYR HA 5.500 . 6.000 4.352 4.047 4.744 . 0 0 "[ . 1]" 1
297 1 84 CYS HB2 1 85 ARG H 5.500 . 6.000 4.439 4.298 4.533 . 0 0 "[ . 1]" 1
298 1 85 ARG HA 1 86 GLU H 3.420 . 3.920 2.326 2.288 2.452 . 0 0 "[ . 1]" 1
299 1 85 ARG HB2 1 86 GLU H 4.260 . 4.760 4.161 3.997 4.282 . 0 0 "[ . 1]" 1
300 1 86 GLU H 1 87 THR H 5.500 . 6.000 4.586 4.490 4.654 . 0 0 "[ . 1]" 1
301 1 87 THR H 1 98 LYS H 5.500 . 6.000 4.244 3.917 4.744 . 0 0 "[ . 1]" 1
302 1 86 GLU HA 1 87 THR H 3.860 . 4.360 2.235 2.119 2.336 . 0 0 "[ . 1]" 1
303 1 87 THR HB 1 88 GLY H 3.610 . 4.110 2.320 1.996 2.780 . 0 0 "[ . 1]" 1
304 1 96 ALA HA 1 97 TYR H 3.170 . 3.670 2.332 2.149 2.550 . 0 0 "[ . 1]" 1
305 1 87 THR H 1 97 TYR HA 4.380 . 4.880 3.333 3.025 3.539 . 0 0 "[ . 1]" 1
306 1 87 THR H 1 88 GLY HA2 5.500 . 6.000 5.573 5.431 5.720 . 0 0 "[ . 1]" 1
307 1 86 GLU HB2 1 87 THR H 4.450 . 4.950 3.484 2.629 4.278 . 0 0 "[ . 1]" 1
308 1 88 GLY H 1 89 SER H 4.630 . 5.130 3.533 3.219 3.809 . 0 0 "[ . 1]" 1
309 1 89 SER H 1 90 SER H 3.480 . 3.980 2.298 1.682 3.233 0.118 1 0 "[ . 1]" 1
310 1 88 GLY HA2 1 89 SER H 5.500 . 6.000 2.731 2.290 3.570 . 0 0 "[ . 1]" 1
311 1 87 THR H 1 90 SER H 5.500 . 6.000 4.357 3.390 4.962 . 0 0 "[ . 1]" 1
312 1 90 SER H 1 96 ALA H 5.500 . 6.000 4.351 3.968 4.780 . 0 0 "[ . 1]" 1
313 1 90 SER H 1 91 LYS H 5.500 . 6.000 4.308 3.697 4.602 . 0 0 "[ . 1]" 1
314 1 91 LYS H 1 96 ALA H 5.280 . 5.780 3.578 2.635 4.347 . 0 0 "[ . 1]" 1
315 1 90 SER H 1 90 SER HB2 3.920 . 4.420 2.941 2.075 3.548 . 0 0 "[ . 1]" 1
316 1 89 SER HA 1 90 SER H 4.660 . 5.160 3.031 2.353 3.598 . 0 0 "[ . 1]" 1
317 1 86 GLU HB2 1 90 SER H 5.250 . 5.750 4.534 3.727 5.524 . 0 0 "[ . 1]" 1
318 1 91 LYS H 1 92 TYR H 5.500 . 6.000 3.554 3.231 4.635 . 0 0 "[ . 1]" 1
319 1 90 SER HA 1 91 LYS H 3.420 . 3.920 2.242 2.146 2.509 . 0 0 "[ . 1]" 1
320 1 90 SER HB2 1 91 LYS H 5.220 . 5.720 4.150 3.216 4.700 . 0 0 "[ . 1]" 1
321 1 95 CYS HA 1 96 ALA H 3.610 . 4.110 2.250 2.117 2.372 . 0 0 "[ . 1]" 1
322 1 91 LYS H 1 95 CYS HA 4.790 . 5.290 2.856 2.298 4.045 . 0 0 "[ . 1]" 1
323 1 91 LYS H 1 91 LYS HB2 3.980 . 4.480 2.450 2.275 2.571 . 0 0 "[ . 1]" 1
324 1 91 LYS H 1 94 ASN HB2 4.720 . 5.220 4.079 3.843 4.518 . 0 0 "[ . 1]" 1
325 1 91 LYS HA 1 92 TYR H 3.020 . 3.520 2.438 2.358 2.512 . 0 0 "[ . 1]" 1
326 1 92 TYR H 1 92 TYR HB2 3.480 . 3.980 2.625 2.445 3.382 . 0 0 "[ . 1]" 1
327 1 92 TYR H 1 93 PRO HA 5.500 . 6.000 4.929 4.822 5.009 . 0 0 "[ . 1]" 1
328 1 91 LYS HB2 1 92 TYR H 4.760 . 5.260 4.471 3.745 4.596 . 0 0 "[ . 1]" 1
329 1 91 LYS H 1 94 ASN H 5.500 . 6.000 4.580 4.233 5.601 . 0 0 "[ . 1]" 1
330 1 94 ASN H 1 95 CYS H 4.820 . 5.320 3.627 3.557 3.733 . 0 0 "[ . 1]" 1
331 1 94 ASN H 1 94 ASN HB2 3.240 . 3.740 2.244 2.172 2.351 . 0 0 "[ . 1]" 1
332 1 93 PRO HA 1 94 ASN H 4.630 . 5.130 3.467 3.395 3.503 . 0 0 "[ . 1]" 1
333 1 92 TYR HA 1 94 ASN H 3.790 . 4.290 2.929 2.766 3.056 . 0 0 "[ . 1]" 1
334 1 95 CYS H 1 96 ALA H 5.500 . 6.000 4.477 3.987 4.673 . 0 0 "[ . 1]" 1
335 1 94 ASN HA 1 95 CYS H 3.330 . 3.830 2.500 2.323 2.566 . 0 0 "[ . 1]" 1
336 1 94 ASN HB2 1 95 CYS H 4.690 . 5.190 4.582 4.524 4.620 . 0 0 "[ . 1]" 1
337 1 92 TYR HA 1 95 CYS H 5.500 . 6.000 3.224 2.801 3.814 . 0 0 "[ . 1]" 1
338 1 93 PRO HB2 1 95 CYS H 5.100 . 5.600 4.650 4.493 4.728 . 0 0 "[ . 1]" 1
339 1 90 SER HA 1 96 ALA H 5.130 . 5.630 2.261 2.008 2.695 . 0 0 "[ . 1]" 1
340 1 95 CYS HB2 1 96 ALA H 4.290 . 4.790 3.881 2.681 4.508 . 0 0 "[ . 1]" 1
341 1 27 ASN HA 1 97 TYR H 5.500 . 6.000 5.212 4.365 5.733 . 0 0 "[ . 1]" 1
342 1 97 TYR HA 1 98 LYS H 3.110 . 3.610 2.228 2.177 2.325 . 0 0 "[ . 1]" 1
343 1 86 GLU HA 1 98 LYS H 4.970 . 5.470 3.691 3.597 3.840 . 0 0 "[ . 1]" 1
344 1 98 LYS H 1 98 LYS HB2 4.070 . 4.570 3.086 2.479 3.958 . 0 0 "[ . 1]" 1
345 1 97 TYR HB2 1 98 LYS H 4.660 . 5.160 4.009 3.750 4.273 . 0 0 "[ . 1]" 1
346 1 98 LYS H 1 99 THR H 5.500 . 6.000 4.223 3.982 4.399 . 0 0 "[ . 1]" 1
347 1 99 THR H 1 100 THR H 5.500 . 6.000 4.570 4.392 4.688 . 0 0 "[ . 1]" 1
348 1 98 LYS HA 1 99 THR H 3.300 . 3.800 2.238 2.158 2.541 . 0 0 "[ . 1]" 1
349 1 99 THR H 1 99 THR HB 3.830 . 4.330 2.453 2.205 2.832 . 0 0 "[ . 1]" 1
350 1 98 LYS HB2 1 99 THR H 5.410 . 5.910 4.244 2.950 4.602 . 0 0 "[ . 1]" 1
351 1 84 CYS HA 1 100 THR H 4.910 . 5.410 3.653 3.455 3.806 . 0 0 "[ . 1]" 1
352 1 99 THR HA 1 100 THR H 3.480 . 3.980 2.255 2.167 2.337 . 0 0 "[ . 1]" 1
353 1 102 VAL H 1 103 GLU H 5.500 . 6.000 4.333 4.223 4.405 . 0 0 "[ . 1]" 1
354 1 81 ILE H 1 103 GLU H 5.500 . 6.000 4.793 4.548 4.953 . 0 0 "[ . 1]" 1
355 1 101 GLN H 1 102 VAL H 5.500 . 6.000 4.550 4.463 4.660 . 0 0 "[ . 1]" 1
356 1 100 THR HA 1 101 GLN H 3.480 . 3.980 2.219 2.118 2.335 . 0 0 "[ . 1]" 1
357 1 100 THR HB 1 101 GLN H 5.500 . 6.000 4.413 4.278 4.523 . 0 0 "[ . 1]" 1
358 1 82 THR HA 1 102 VAL H 4.820 . 5.320 3.632 3.499 3.883 . 0 0 "[ . 1]" 1
359 1 102 VAL HA 1 103 GLU H 2.930 . 3.430 2.346 2.157 2.556 . 0 0 "[ . 1]" 1
360 1 103 GLU H 1 103 GLU HB2 3.830 . 4.330 3.687 3.420 3.930 . 0 0 "[ . 1]" 1
361 1 103 GLU H 1 104 LYS H 5.500 . 6.000 4.280 4.099 4.472 . 0 0 "[ . 1]" 1
362 1 80 ARG HA 1 104 LYS H 5.500 . 6.000 3.990 3.527 4.299 . 0 0 "[ . 1]" 1
363 1 79 MET HA 1 104 LYS H 5.500 . 6.000 4.877 4.673 5.084 . 0 0 "[ . 1]" 1
364 1 104 LYS H 1 105 HIS H 5.500 . 6.000 4.378 4.330 4.433 . 0 0 "[ . 1]" 1
365 1 105 HIS H 1 124 VAL H 4.630 . 5.130 3.274 3.157 3.446 . 0 0 "[ . 1]" 1
366 1 104 LYS HA 1 105 HIS H 3.300 . 3.800 2.500 2.419 2.579 . 0 0 "[ . 1]" 1
367 1 104 LYS HB2 1 105 HIS H 3.790 . 4.290 3.863 3.777 3.959 . 0 0 "[ . 1]" 1
368 1 75 SER H 1 106 ILE H 4.720 . 5.220 3.570 3.178 4.050 . 0 0 "[ . 1]" 1
369 1 106 ILE H 1 107 ILE H 5.410 . 5.910 4.559 4.475 4.645 . 0 0 "[ . 1]" 1
370 1 105 HIS HB2 1 106 ILE H 4.510 . 5.010 4.013 3.688 4.290 . 0 0 "[ . 1]" 1
371 1 78 THR HA 1 106 ILE H 4.480 . 4.980 4.183 3.932 4.369 . 0 0 "[ . 1]" 1
372 1 75 SER HA 1 106 ILE H 5.500 . 6.000 5.023 4.747 5.480 . 0 0 "[ . 1]" 1
373 1 74 GLN HA 1 106 ILE H 5.500 . 6.000 5.280 4.923 5.623 . 0 0 "[ . 1]" 1
374 1 107 ILE H 1 108 VAL H 5.500 . 6.000 4.221 4.063 4.289 . 0 0 "[ . 1]" 1
375 1 107 ILE H 1 107 ILE HB 3.980 . 4.480 2.703 2.631 2.827 . 0 0 "[ . 1]" 1
376 1 106 ILE HB 1 107 ILE H 4.260 . 4.760 3.034 2.859 3.146 . 0 0 "[ . 1]" 1
377 1 73 TYR H 1 108 VAL H 5.310 . 5.810 2.956 2.709 3.351 . 0 0 "[ . 1]" 1
378 1 107 ILE HA 1 108 VAL H 3.300 . 3.800 2.262 2.234 2.280 . 0 0 "[ . 1]" 1
379 1 107 ILE HB 1 108 VAL H 5.500 . 6.000 4.300 4.202 4.413 . 0 0 "[ . 1]" 1
380 1 108 VAL H 1 109 ALA H 5.500 . 6.000 4.500 4.453 4.557 . 0 0 "[ . 1]" 1
381 1 7 LYS H 1 8 PHE HB2 5.500 . 6.000 5.332 4.991 5.588 . 0 0 "[ . 1]" 1
382 1 109 ALA H 1 120 PHE HA 5.500 . 6.000 2.979 2.725 3.186 . 0 0 "[ . 1]" 1
383 1 71 ASN H 1 110 CYS H 5.500 . 6.000 4.777 4.151 5.632 . 0 0 "[ . 1]" 1
384 1 109 ALA HA 1 110 CYS H 3.640 . 4.140 2.236 2.198 2.308 . 0 0 "[ . 1]" 1
385 1 72 CYS HA 1 110 CYS H 5.500 . 6.000 3.502 2.652 4.754 . 0 0 "[ . 1]" 1
386 1 72 CYS H 1 109 ALA HA 5.500 . 6.000 4.621 4.093 5.635 . 0 0 "[ . 1]" 1
387 1 111 GLY H 1 116 VAL H 3.550 . 4.050 2.979 2.708 3.494 . 0 0 "[ . 1]" 1
388 1 110 CYS H 1 111 GLY H 5.500 . 6.000 4.602 4.490 4.697 . 0 0 "[ . 1]" 1
389 1 111 GLY H 1 116 VAL HA 5.500 . 6.000 4.696 4.475 5.143 . 0 0 "[ . 1]" 1
390 1 110 CYS HA 1 111 GLY H 3.110 . 3.610 2.259 2.117 2.418 . 0 0 "[ . 1]" 1
391 1 110 CYS HB2 1 111 GLY H 5.070 . 5.570 4.174 3.969 4.348 . 0 0 "[ . 1]" 1
392 1 112 GLY H 1 113 LYS H 5.100 . 5.600 2.971 2.838 3.361 . 0 0 "[ . 1]" 1
393 1 111 GLY H 1 112 GLY H 5.500 . 6.000 4.258 4.154 4.411 . 0 0 "[ . 1]" 1
394 1 111 GLY HA2 1 112 GLY H 3.360 . 3.860 2.879 2.584 3.005 . 0 0 "[ . 1]" 1
395 1 112 GLY HA2 1 113 LYS H 3.670 . 4.170 2.633 2.458 2.782 . 0 0 "[ . 1]" 1
396 1 113 LYS H 1 114 PRO HA 5.500 . 6.000 4.841 4.759 4.966 . 0 0 "[ . 1]" 1
397 1 113 LYS H 1 113 LYS HB2 3.580 . 4.080 3.553 3.038 3.644 . 0 0 "[ . 1]" 1
398 1 115 SER H 1 116 VAL H 5.410 . 5.910 4.260 4.018 4.547 . 0 0 "[ . 1]" 1
399 1 114 PRO HA 1 115 SER H 3.080 . 3.580 2.589 2.271 2.750 . 0 0 "[ . 1]" 1
400 1 115 SER H 1 115 SER HB2 3.920 . 4.420 2.990 2.248 3.504 . 0 0 "[ . 1]" 1
401 1 114 PRO HB2 1 115 SER H 4.420 . 4.920 2.444 2.083 3.255 . 0 0 "[ . 1]" 1
402 1 113 LYS HB2 1 115 SER H 5.500 . 6.000 5.264 4.417 5.671 . 0 0 "[ . 1]" 1
403 1 115 SER HA 1 116 VAL H 3.140 . 3.640 2.315 2.180 2.453 . 0 0 "[ . 1]" 1
404 1 115 SER HB2 1 116 VAL H 5.500 . 6.000 4.346 3.862 4.681 . 0 0 "[ . 1]" 1
405 1 111 GLY HA2 1 116 VAL H 4.970 . 5.470 4.376 4.164 4.632 . 0 0 "[ . 1]" 1
406 1 118 VAL H 1 119 HIS H 3.270 . 3.770 2.036 1.990 2.116 . 0 0 "[ . 1]" 1
407 1 111 GLY H 1 118 VAL H 5.500 . 6.000 4.061 3.898 4.368 . 0 0 "[ . 1]" 1
408 1 110 CYS HA 1 116 VAL H 5.310 . 5.810 4.644 4.343 4.940 . 0 0 "[ . 1]" 1
409 1 117 PRO HB2 1 118 VAL H 5.250 . 5.750 3.441 3.168 3.618 . 0 0 "[ . 1]" 1
410 1 109 ALA H 1 119 HIS H 4.570 . 5.070 3.075 2.924 3.183 . 0 0 "[ . 1]" 1
411 1 110 CYS HA 1 119 HIS H 4.760 . 5.260 4.619 4.058 4.821 . 0 0 "[ . 1]" 1
412 1 118 VAL HA 1 119 HIS H 5.130 . 5.630 3.423 3.342 3.483 . 0 0 "[ . 1]" 1
413 1 117 PRO HB2 1 119 HIS H 5.500 . 6.000 3.722 3.469 4.103 . 0 0 "[ . 1]" 1
414 1 121 ASP H 1 122 ALA H 4.040 . 4.540 2.394 2.305 2.596 . 0 0 "[ . 1]" 1
415 1 120 PHE HA 1 121 ASP H 3.700 . 4.200 2.296 2.252 2.338 . 0 0 "[ . 1]" 1
416 1 108 VAL HA 1 121 ASP H 3.980 . 4.480 2.513 2.243 2.928 . 0 0 "[ . 1]" 1
417 1 109 ALA HA 1 121 ASP H 5.500 . 6.000 5.590 5.339 5.707 . 0 0 "[ . 1]" 1
418 1 107 ILE H 1 122 ALA H 4.690 . 5.190 3.159 3.116 3.209 . 0 0 "[ . 1]" 1
419 1 121 ASP HA 1 122 ALA H 5.190 . 5.690 3.625 3.613 3.641 . 0 0 "[ . 1]" 1
420 1 108 VAL HA 1 122 ALA H 5.500 . 6.000 4.355 3.993 4.725 . 0 0 "[ . 1]" 1
421 1 107 ILE HA 1 122 ALA H 5.500 . 6.000 4.608 4.484 4.743 . 0 0 "[ . 1]" 1
422 1 120 PHE HA 1 122 ALA H 5.500 . 6.000 4.489 4.294 4.632 . 0 0 "[ . 1]" 1
423 1 121 ASP HB2 1 122 ALA H 4.350 . 4.850 3.770 3.669 3.874 . 0 0 "[ . 1]" 1
424 1 122 ALA H 1 123 SER H 5.500 . 6.000 4.349 4.290 4.374 . 0 0 "[ . 1]" 1
425 1 106 ILE HA 1 123 SER H 5.500 . 6.000 4.985 4.887 5.115 . 0 0 "[ . 1]" 1
426 1 122 ALA HA 1 123 SER H 3.640 . 4.140 2.721 2.619 2.860 . 0 0 "[ . 1]" 1
427 1 123 SER H 1 124 VAL H 5.500 . 6.000 4.176 3.961 4.257 . 0 0 "[ . 1]" 1
428 1 106 ILE HA 1 124 VAL H 5.220 . 5.720 3.816 3.715 3.884 . 0 0 "[ . 1]" 1
429 1 123 SER HA 1 124 VAL H 3.580 . 4.080 2.210 2.175 2.249 . 0 0 "[ . 1]" 1
430 1 123 SER HB2 1 124 VAL H 4.260 . 4.760 4.146 4.014 4.321 . 0 0 "[ . 1]" 1
431 1 3 SER H 1 3 SER HB2 3.240 . 3.740 2.673 2.517 2.968 . 0 0 "[ . 1]" 1
432 1 2 GLU HB2 1 3 SER H 5.500 . 6.000 3.475 2.198 4.698 . 0 0 "[ . 1]" 1
433 1 8 PHE H 1 118 VAL HA 5.500 . 6.000 4.905 4.602 5.208 . 0 0 "[ . 1]" 1
434 1 7 LYS HA 1 9 GLU H 5.500 . 6.000 4.567 4.411 4.813 . 0 0 "[ . 1]" 1
435 1 9 GLU H 1 10 ARG HB2 5.500 . 6.000 5.303 5.145 5.581 . 0 0 "[ . 1]" 1
436 1 10 ARG H 1 12 HIS H 5.500 . 6.000 4.405 4.106 4.646 . 0 0 "[ . 1]" 1
437 1 3 SER HA 1 5 ALA H 5.100 . 5.600 4.639 4.488 4.704 . 0 0 "[ . 1]" 1
438 1 12 HIS H 1 13 MET HB2 5.500 . 6.000 4.673 3.935 5.609 . 0 0 "[ . 1]" 1
439 1 10 ARG HA 1 12 HIS H 5.500 . 6.000 4.064 3.535 4.805 . 0 0 "[ . 1]" 1
440 1 50 SER H 1 53 ASP H 5.500 . 6.000 4.424 3.762 5.023 . 0 0 "[ . 1]" 1
441 1 62 LYS H 1 74 GLN H 5.500 . 6.000 4.925 4.824 4.971 . 0 0 "[ . 1]" 1
442 1 16 GLY H 1 48 HIS HA 5.220 . 5.720 4.060 2.573 5.204 . 0 0 "[ . 1]" 1
443 1 43 VAL HA 1 86 GLU H 5.500 . 6.000 3.836 3.755 3.969 . 0 0 "[ . 1]" 1
444 1 3 SER H 1 6 ALA H 5.220 . 5.720 3.673 3.230 4.700 . 0 0 "[ . 1]" 1
445 1 65 CYS H 1 72 CYS H 5.500 . 6.000 4.153 3.554 4.903 . 0 0 "[ . 1]" 1
446 1 6 ALA H 1 9 GLU H 5.500 . 6.000 4.761 4.547 4.835 . 0 0 "[ . 1]" 1
447 1 9 GLU H 1 10 ARG H 3.830 . 4.330 3.070 2.935 3.199 . 0 0 "[ . 1]" 1
448 1 7 LYS H 1 9 GLU H 5.500 . 6.000 3.981 3.684 4.255 . 0 0 "[ . 1]" 1
449 1 26 CYS HA 1 27 ASN H 5.500 . 6.000 3.555 3.526 3.576 . 0 0 "[ . 1]" 1
450 1 85 ARG H 1 98 LYS HA 4.720 . 5.220 4.790 4.664 4.888 . 0 0 "[ . 1]" 1
451 1 52 ALA HA 1 54 VAL H 5.220 . 5.720 4.722 4.436 5.204 . 0 0 "[ . 1]" 1
452 1 37 GLN H 1 39 LYS H 5.500 . 6.000 3.894 3.297 4.592 . 0 0 "[ . 1]" 1
453 1 63 VAL H 1 73 TYR H 5.500 . 6.000 4.557 4.416 4.672 . 0 0 "[ . 1]" 1
454 1 55 LYS HB2 1 56 ALA H 4.380 . 4.880 3.383 2.652 4.112 . 0 0 "[ . 1]" 1
455 1 24 ASN HA 1 28 LEU H 5.500 . 6.000 3.783 3.546 4.024 . 0 0 "[ . 1]" 1
456 1 26 CYS HA 1 28 LEU H 5.500 . 6.000 4.830 4.715 4.906 . 0 0 "[ . 1]" 1
457 1 34 LYS H 1 36 THR H 5.500 . 6.000 4.628 3.923 5.175 . 0 0 "[ . 1]" 1
458 1 87 THR HA 1 88 GLY H 3.790 . 4.290 2.628 2.309 3.073 . 0 0 "[ . 1]" 1
459 1 2 GLU H 1 2 GLU HG2 5.500 . 6.000 3.521 2.056 4.821 . 0 0 "[ . 1]" 1
460 1 7 LYS H 1 7 LYS HG2 4.420 . 4.920 4.448 4.313 4.502 . 0 0 "[ . 1]" 1
461 1 8 PHE HD1 1 9 GLU H 5.500 . 6.000 4.727 4.593 4.978 . 0 0 "[ . 1]" 1
462 1 7 LYS HG2 1 8 PHE H 5.500 . 6.000 3.967 3.347 4.331 . 0 0 "[ . 1]" 1
463 1 10 ARG H 1 10 ARG HG2 5.500 . 6.000 2.320 2.010 3.219 . 0 0 "[ . 1]" 1
464 1 7 LYS HA 1 10 ARG HE 5.500 . 6.000 5.522 4.722 5.783 . 0 0 "[ . 1]" 1
465 1 11 GLN H 1 11 GLN HG2 4.540 . 5.040 3.289 2.262 3.822 . 0 0 "[ . 1]" 1
466 1 10 ARG HG2 1 11 GLN H 5.500 . 6.000 4.658 4.161 5.102 . 0 0 "[ . 1]" 1
467 1 13 MET H 1 13 MET HG2 5.500 . 6.000 4.229 2.593 4.743 . 0 0 "[ . 1]" 1
468 1 25 TYR QD 1 26 CYS H 5.500 . 6.000 3.870 1.856 4.601 . 0 0 "[ . 1]" 1
469 1 26 CYS H 1 99 THR HB 5.500 . 6.000 4.095 2.951 5.375 . 0 0 "[ . 1]" 1
470 1 27 ASN H 1 27 ASN HD22 5.500 . 6.000 3.508 3.368 3.733 . 0 0 "[ . 1]" 1
471 1 27 ASN H 1 27 ASN HD21 5.500 . 6.000 2.114 1.949 2.273 . 0 0 "[ . 1]" 1
472 1 28 LEU H 1 28 LEU HG 5.500 . 6.000 4.504 4.487 4.521 . 0 0 "[ . 1]" 1
473 1 28 LEU HG 1 29 MET H 5.500 . 6.000 4.222 3.331 4.619 . 0 0 "[ . 1]" 1
474 1 30 MET H 1 30 MET HG2 4.600 . 5.100 3.106 2.338 4.393 . 0 0 "[ . 1]" 1
475 1 30 MET HG2 1 31 CYS H 5.500 . 6.000 4.611 3.969 5.343 . 0 0 "[ . 1]" 1
476 1 33 ARG H 1 33 ARG HG2 5.500 . 6.000 3.551 2.386 4.728 . 0 0 "[ . 1]" 1
477 1 33 ARG H 1 33 ARG HE 5.500 . 6.000 3.486 2.927 4.535 . 0 0 "[ . 1]" 1
478 1 33 ARG HA 1 33 ARG HE 5.500 . 6.000 2.685 2.152 3.349 . 0 0 "[ . 1]" 1
479 1 34 LYS H 1 34 LYS HG2 5.500 . 6.000 3.888 3.734 4.424 . 0 0 "[ . 1]" 1
480 1 35 MET H 1 35 MET HG2 5.500 . 6.000 3.202 2.518 4.197 . 0 0 "[ . 1]" 1
481 1 37 GLN H 1 37 GLN HG2 5.500 . 6.000 2.849 2.103 4.231 . 0 0 "[ . 1]" 1
482 1 38 GLY H 1 92 TYR QE 5.500 . 6.000 4.588 3.942 5.394 . 0 0 "[ . 1]" 1
483 1 39 LYS H 1 92 TYR QE 5.500 . 6.000 3.963 3.020 4.689 . 0 0 "[ . 1]" 1
484 1 39 LYS H 1 92 TYR QD 5.500 . 6.000 5.020 4.260 5.367 . 0 0 "[ . 1]" 1
485 1 39 LYS H 1 39 LYS HG2 5.500 . 6.000 2.974 2.300 4.193 . 0 0 "[ . 1]" 1
486 1 40 CYS H 1 92 TYR QD 5.500 . 6.000 3.308 2.487 4.333 . 0 0 "[ . 1]" 1
487 1 40 CYS H 1 92 TYR HB2 5.500 . 6.000 3.714 2.848 5.119 . 0 0 "[ . 1]" 1
488 1 39 LYS HG2 1 40 CYS H 5.500 . 6.000 4.515 3.785 5.042 . 0 0 "[ . 1]" 1
489 1 42 PRO HD2 1 43 VAL H 5.500 . 6.000 2.756 2.475 3.056 . 0 0 "[ . 1]" 1
490 1 42 PRO HG2 1 43 VAL H 5.220 . 5.720 2.494 2.345 2.647 . 0 0 "[ . 1]" 1
491 1 44 ASN H 1 84 CYS HB2 5.500 . 6.000 4.761 4.511 5.079 . 0 0 "[ . 1]" 1
492 1 12 HIS HB2 1 45 THR H 5.500 . 6.000 5.221 4.373 5.687 . 0 0 "[ . 1]" 1
493 1 46 PHE H 1 46 PHE HD1 5.500 . 6.000 2.900 2.476 4.177 . 0 0 "[ . 1]" 1
494 1 46 PHE H 1 82 THR HB 5.500 . 6.000 4.157 3.130 4.524 . 0 0 "[ . 1]" 1
495 1 46 PHE HD1 1 47 VAL H 5.500 . 6.000 4.897 4.134 5.573 . 0 0 "[ . 1]" 1
496 1 48 HIS H 1 79 MET HB2 5.500 . 6.000 5.484 5.299 5.631 . 0 0 "[ . 1]" 1
497 1 49 GLU H 1 49 GLU HG2 5.500 . 6.000 4.871 3.802 5.420 . 0 0 "[ . 1]" 1
498 1 49 GLU HG2 1 50 SER H 5.040 . 5.540 3.352 2.405 3.978 . 0 0 "[ . 1]" 1
499 1 51 LEU H 1 51 LEU HG 5.500 . 6.000 4.448 4.192 4.534 . 0 0 "[ . 1]" 1
500 1 55 LYS H 1 55 LYS HG2 4.600 . 5.100 4.331 3.970 4.626 . 0 0 "[ . 1]" 1
501 1 55 LYS HG2 1 56 ALA H 5.500 . 6.000 4.743 4.281 5.361 . 0 0 "[ . 1]" 1
502 1 57 VAL H 1 60 GLN HG2 5.500 . 6.000 5.558 5.392 5.647 . 0 0 "[ . 1]" 1
503 1 60 GLN H 1 73 TYR HD1 5.500 . 6.000 5.283 3.987 5.700 . 0 0 "[ . 1]" 1
504 1 60 GLN H 1 73 TYR HB2 5.500 . 6.000 4.560 4.051 5.399 . 0 0 "[ . 1]" 1
505 1 60 GLN H 1 60 GLN HG2 5.500 . 6.000 4.720 4.084 5.070 . 0 0 "[ . 1]" 1
506 1 73 TYR HD1 1 74 GLN H 5.500 . 6.000 5.205 4.279 5.608 . 0 0 "[ . 1]" 1
507 1 61 LYS H 1 61 LYS HG2 5.500 . 6.000 4.098 3.093 4.704 . 0 0 "[ . 1]" 1
508 1 60 GLN HG2 1 61 LYS H 5.500 . 6.000 3.997 3.262 4.872 . 0 0 "[ . 1]" 1
509 1 62 LYS H 1 73 TYR HD1 5.500 . 6.000 5.061 3.102 5.695 . 0 0 "[ . 1]" 1
510 1 62 LYS H 1 62 LYS HG2 5.500 . 6.000 4.311 4.110 4.469 . 0 0 "[ . 1]" 1
511 1 61 LYS HG2 1 62 LYS H 5.500 . 6.000 4.612 3.606 5.474 . 0 0 "[ . 1]" 1
512 1 63 VAL H 1 73 TYR HD1 5.500 . 6.000 4.582 4.241 4.951 . 0 0 "[ . 1]" 1
513 1 62 LYS HG2 1 63 VAL H 5.500 . 6.000 3.218 2.554 3.947 . 0 0 "[ . 1]" 1
514 1 66 LYS H 1 66 LYS HG2 5.040 . 5.540 4.080 2.147 4.570 . 0 0 "[ . 1]" 1
515 1 66 LYS HG2 1 67 ASP H 5.500 . 6.000 4.474 4.243 4.889 . 0 0 "[ . 1]" 1
516 1 69 GLN H 1 69 GLN HG2 5.500 . 6.000 4.551 4.407 5.089 . 0 0 "[ . 1]" 1
517 1 73 TYR H 1 73 TYR HD1 5.500 . 6.000 3.498 2.822 4.692 . 0 0 "[ . 1]" 1
518 1 73 TYR H 1 73 TYR HE1 5.500 . 6.000 5.588 5.267 5.948 . 0 0 "[ . 1]" 1
519 1 74 GLN H 1 74 GLN HG2 5.500 . 6.000 4.399 4.315 4.462 . 0 0 "[ . 1]" 1
520 1 74 GLN HE21 1 105 HIS HD2 5.500 . 6.000 4.854 2.840 5.776 . 0 0 "[ . 1]" 1
521 1 75 SER H 1 105 HIS HB2 5.500 . 6.000 4.093 3.728 4.450 . 0 0 "[ . 1]" 1
522 1 74 GLN HG2 1 75 SER H 5.500 . 6.000 3.070 2.669 3.270 . 0 0 "[ . 1]" 1
523 1 75 SER H 1 107 ILE HG12 5.500 . 6.000 5.052 4.896 5.184 . 0 0 "[ . 1]" 1
524 1 75 SER H 1 106 ILE HG12 5.500 . 6.000 4.163 4.062 4.265 . 0 0 "[ . 1]" 1
525 1 76 LYS H 1 77 SER HG 5.500 . 6.000 5.494 4.859 5.743 . 0 0 "[ . 1]" 1
526 1 60 GLN HB2 1 76 LYS H 5.500 . 6.000 4.565 3.364 5.194 . 0 0 "[ . 1]" 1
527 1 76 LYS H 1 76 LYS HG2 5.500 . 6.000 2.206 1.931 3.027 . 0 0 "[ . 1]" 1
528 1 76 LYS HG2 1 77 SER H 5.500 . 6.000 2.977 2.043 4.161 . 0 0 "[ . 1]" 1
529 1 80 ARG H 1 80 ARG HE 5.500 . 6.000 3.845 2.108 5.743 . 0 0 "[ . 1]" 1
530 1 80 ARG H 1 80 ARG HG2 5.500 . 6.000 4.204 3.433 4.743 . 0 0 "[ . 1]" 1
531 1 80 ARG H 1 80 ARG HD2 5.500 . 6.000 4.751 4.177 5.656 . 0 0 "[ . 1]" 1
532 1 80 ARG HG2 1 81 ILE H 5.500 . 6.000 4.731 3.341 5.307 . 0 0 "[ . 1]" 1
533 1 83 ASP H 1 100 THR HB 5.500 . 6.000 3.367 2.968 3.726 . 0 0 "[ . 1]" 1
534 1 48 HIS HD2 1 82 THR H 5.500 . 6.000 4.328 3.271 5.832 . 0 0 "[ . 1]" 1
535 1 85 ARG H 1 97 TYR QE 5.500 . 6.000 5.395 5.124 5.564 . 0 0 "[ . 1]" 1
536 1 85 ARG H 1 97 TYR QD 5.500 . 6.000 3.650 3.418 3.896 . 0 0 "[ . 1]" 1
537 1 86 GLU H 1 97 TYR QE 5.500 . 6.000 4.726 4.446 5.018 . 0 0 "[ . 1]" 1
538 1 86 GLU H 1 97 TYR QD 5.500 . 6.000 4.007 3.783 4.282 . 0 0 "[ . 1]" 1
539 1 42 PRO HB2 1 86 GLU H 5.500 . 6.000 4.375 4.200 4.521 . 0 0 "[ . 1]" 1
540 1 87 THR H 1 97 TYR QD 5.500 . 6.000 5.222 5.028 5.387 . 0 0 "[ . 1]" 1
541 1 91 LYS H 1 91 LYS HG2 5.500 . 6.000 3.653 3.246 4.450 . 0 0 "[ . 1]" 1
542 1 91 LYS HG2 1 92 TYR H 5.500 . 6.000 4.844 3.933 5.125 . 0 0 "[ . 1]" 1
543 1 94 ASN H 1 94 ASN HD22 5.500 . 6.000 4.207 3.757 4.433 . 0 0 "[ . 1]" 1
544 1 93 PRO HG2 1 94 ASN H 5.500 . 6.000 3.038 2.901 3.243 . 0 0 "[ . 1]" 1
545 1 93 PRO HD2 1 94 ASN H 5.500 . 6.000 3.015 2.873 3.114 . 0 0 "[ . 1]" 1
546 1 93 PRO HD2 1 94 ASN HD21 5.500 . 6.000 3.828 2.811 4.231 . 0 0 "[ . 1]" 1
547 1 90 SER HB2 1 96 ALA H 5.500 . 6.000 3.294 2.430 4.581 . 0 0 "[ . 1]" 1
548 1 86 GLU HB2 1 96 ALA H 5.500 . 6.000 4.839 3.425 5.604 . 0 0 "[ . 1]" 1
549 1 27 ASN HD21 1 97 TYR H 5.500 . 6.000 4.524 3.983 4.919 . 0 0 "[ . 1]" 1
550 1 27 ASN HD22 1 97 TYR H 5.500 . 6.000 2.959 2.537 3.302 . 0 0 "[ . 1]" 1
551 1 97 TYR QD 1 98 LYS H 5.500 . 6.000 3.423 2.971 3.868 . 0 0 "[ . 1]" 1
552 1 98 LYS HG2 1 99 THR H 5.500 . 6.000 3.867 3.172 4.505 . 0 0 "[ . 1]" 1
553 1 83 ASP HB2 1 100 THR H 5.500 . 6.000 4.469 3.812 5.071 . 0 0 "[ . 1]" 1
554 1 101 GLN H 1 101 GLN HG2 5.500 . 6.000 3.840 2.476 4.496 . 0 0 "[ . 1]" 1
555 1 81 ILE HG12 1 102 VAL H 5.500 . 6.000 3.914 2.807 5.922 . 0 0 "[ . 1]" 1
556 1 101 GLN HG2 1 102 VAL H 5.500 . 6.000 3.998 2.770 5.126 . 0 0 "[ . 1]" 1
557 1 103 GLU H 1 103 GLU HG2 5.500 . 6.000 2.559 2.047 3.138 . 0 0 "[ . 1]" 1
558 1 104 LYS H 1 123 SER HB2 5.500 . 6.000 5.443 4.848 5.686 . 0 0 "[ . 1]" 1
559 1 103 GLU HG2 1 104 LYS H 5.500 . 6.000 5.060 4.764 5.330 . 0 0 "[ . 1]" 1
560 1 105 HIS H 1 105 HIS HD2 5.500 . 6.000 4.741 4.576 4.862 . 0 0 "[ . 1]" 1
561 1 104 LYS HG2 1 105 HIS H 5.500 . 6.000 4.234 4.037 4.366 . 0 0 "[ . 1]" 1
562 1 105 HIS H 1 105 HIS HE1 5.500 . 6.000 4.511 4.426 4.611 . 0 0 "[ . 1]" 1
563 1 106 ILE H 1 106 ILE HG12 5.500 . 6.000 2.073 1.954 2.218 . 0 0 "[ . 1]" 1
564 1 107 ILE H 1 120 PHE QE 5.500 . 6.000 3.110 2.727 3.499 . 0 0 "[ . 1]" 1
565 1 107 ILE H 1 107 ILE HG12 5.500 . 6.000 2.498 2.420 2.553 . 0 0 "[ . 1]" 1
566 1 107 ILE HG12 1 108 VAL H 5.500 . 6.000 5.394 5.331 5.477 . 0 0 "[ . 1]" 1
567 1 8 PHE HZ 1 109 ALA H 5.500 . 6.000 4.382 4.190 4.674 . 0 0 "[ . 1]" 1
568 1 2 GLU HG2 1 7 LYS H 5.500 . 6.000 4.714 3.546 5.147 . 0 0 "[ . 1]" 1
569 1 109 ALA H 1 119 HIS HB2 5.500 . 6.000 4.819 4.303 5.194 . 0 0 "[ . 1]" 1
570 1 73 TYR HE1 1 110 CYS H 5.500 . 6.000 4.627 3.652 5.753 . 0 0 "[ . 1]" 1
571 1 73 TYR HD1 1 110 CYS H 5.500 . 6.000 3.948 2.977 5.842 . 0 0 "[ . 1]" 1
572 1 111 GLY H 1 116 VAL HB 5.500 . 6.000 5.448 5.343 5.538 . 0 0 "[ . 1]" 1
573 1 8 PHE HZ 1 119 HIS H 5.500 . 6.000 4.162 3.945 4.414 . 0 0 "[ . 1]" 1
574 1 120 PHE HD1 1 121 ASP H 5.500 . 6.000 3.574 2.782 4.912 . 0 0 "[ . 1]" 1
575 1 120 PHE QE 1 122 ALA H 5.500 . 6.000 3.709 3.585 3.863 . 0 0 "[ . 1]" 1
576 1 120 PHE HD1 1 122 ALA H 5.500 . 6.000 4.415 3.626 6.278 0.278 4 0 "[ . 1]" 1
577 1 107 ILE HB 1 122 ALA H 5.130 . 5.630 2.141 2.092 2.183 . 0 0 "[ . 1]" 1
578 1 106 ILE HB 1 122 ALA H 5.500 . 6.000 5.552 5.404 5.643 . 0 0 "[ . 1]" 1
579 1 120 PHE QE 1 123 SER H 5.500 . 6.000 4.264 4.049 4.526 . 0 0 "[ . 1]" 1
580 1 107 ILE HB 1 123 SER H 5.500 . 6.000 4.804 4.408 5.068 . 0 0 "[ . 1]" 1
581 1 105 HIS HB2 1 124 VAL H 5.500 . 6.000 2.979 2.806 3.252 . 0 0 "[ . 1]" 1
582 1 104 LYS HB2 1 124 VAL H 5.500 . 6.000 4.480 4.175 4.878 . 0 0 "[ . 1]" 1
583 1 2 GLU HG2 1 3 SER H 5.500 . 6.000 4.121 2.833 5.465 . 0 0 "[ . 1]" 1
584 1 76 LYS H 1 76 LYS HD2 5.500 . 6.000 4.412 3.809 4.667 . 0 0 "[ . 1]" 1
585 1 8 PHE HD1 1 12 HIS H 5.500 . 6.000 5.153 4.264 5.628 . 0 0 "[ . 1]" 1
586 1 8 PHE HE1 1 13 MET H 5.500 . 6.000 5.685 5.521 5.866 . 0 0 "[ . 1]" 1
587 1 27 ASN H 1 97 TYR HB2 5.500 . 6.000 3.830 3.481 4.084 . 0 0 "[ . 1]" 1
588 1 60 GLN HG2 1 76 LYS H 5.500 . 6.000 3.629 2.601 5.369 . 0 0 "[ . 1]" 1
589 1 104 LYS HG2 1 124 VAL H 5.500 . 6.000 4.445 4.250 4.618 . 0 0 "[ . 1]" 1
590 1 8 PHE HE1 1 109 ALA H 5.500 . 6.000 5.305 4.960 5.583 . 0 0 "[ . 1]" 1
591 1 8 PHE H 1 8 PHE HD1 5.500 . 6.000 5.006 4.871 5.102 . 0 0 "[ . 1]" 1
592 1 14 ASP H 1 47 VAL HB 5.500 . 6.000 3.638 2.039 4.487 . 0 0 "[ . 1]" 1
593 1 35 MET HB2 1 41 LYS H 5.500 . 6.000 5.350 4.822 5.693 . 0 0 "[ . 1]" 1
594 1 51 LEU HG 1 52 ALA H 5.500 . 6.000 4.047 3.604 4.682 . 0 0 "[ . 1]" 1
595 1 44 ASN HD21 1 46 PHE HE1 5.500 . 6.000 2.484 2.074 3.113 . 0 0 "[ . 1]" 1
596 1 4 ALA MB 1 5 ALA H 5.440 . 5.940 2.261 2.125 2.531 . 0 0 "[ . 1]" 1
597 1 5 ALA MB 1 6 ALA H 5.690 . 6.190 2.286 2.132 2.612 . 0 0 "[ . 1]" 1
598 1 13 MET ME 1 15 SER H 6.530 . 7.030 4.862 4.242 5.810 . 0 0 "[ . 1]" 1
599 1 25 TYR H 1 99 THR MG 6.530 . 7.030 4.634 3.479 5.102 . 0 0 "[ . 1]" 1
600 1 28 LEU MD1 1 29 MET H 6.530 . 7.030 3.489 2.943 4.487 . 0 0 "[ . 1]" 1
601 1 28 LEU MD1 1 32 CYS H 6.530 . 7.030 3.718 3.465 4.137 . 0 0 "[ . 1]" 1
602 1 35 MET H 1 36 THR MG 6.530 . 7.030 3.993 3.092 5.292 . 0 0 "[ . 1]" 1
603 1 36 THR MG 1 37 GLN H 6.530 . 7.030 4.289 3.748 4.428 . 0 0 "[ . 1]" 1
604 1 36 THR MG 1 41 LYS H 6.530 . 7.030 3.535 2.601 4.312 . 0 0 "[ . 1]" 1
605 1 43 VAL MG1 1 44 ASN H 6.530 . 7.030 3.820 3.695 4.133 . 0 0 "[ . 1]" 1
606 1 46 PHE H 1 82 THR MG 6.530 . 7.030 4.791 3.418 5.368 . 0 0 "[ . 1]" 1
607 1 45 THR MG 1 47 VAL H 6.530 . 7.030 4.605 3.682 5.032 . 0 0 "[ . 1]" 1
608 1 47 VAL MG1 1 48 HIS H 6.530 . 7.030 2.485 2.061 3.272 . 0 0 "[ . 1]" 1
609 1 47 VAL MG2 1 48 HIS H 6.530 . 7.030 4.001 3.695 4.207 . 0 0 "[ . 1]" 1
610 1 48 HIS H 1 81 ILE MG 6.530 . 7.030 3.529 2.586 4.308 . 0 0 "[ . 1]" 1
611 1 13 MET ME 1 49 GLU H 6.530 . 7.030 2.642 2.201 3.449 . 0 0 "[ . 1]" 1
612 1 47 VAL MG1 1 49 GLU H 5.540 . 6.040 3.045 2.612 3.656 . 0 0 "[ . 1]" 1
613 1 51 LEU MD1 1 52 ALA H 6.530 . 7.030 4.600 4.099 4.947 . 0 0 "[ . 1]" 1
614 1 51 LEU MD2 1 52 ALA H 6.530 . 7.030 3.612 2.654 4.292 . 0 0 "[ . 1]" 1
615 1 52 ALA MB 1 53 ASP H 5.910 . 6.410 2.826 2.686 2.957 . 0 0 "[ . 1]" 1
616 1 53 ASP H 1 54 VAL MG1 6.530 . 7.030 5.501 5.018 5.717 . 0 0 "[ . 1]" 1
617 1 52 ALA MB 1 54 VAL H 6.530 . 7.030 4.775 4.621 5.026 . 0 0 "[ . 1]" 1
618 1 54 VAL H 1 56 ALA MB 6.530 . 7.030 4.854 4.601 5.042 . 0 0 "[ . 1]" 1
619 1 13 MET ME 1 54 VAL H 6.530 . 7.030 3.278 2.954 3.695 . 0 0 "[ . 1]" 1
620 1 55 LYS H 1 56 ALA MB 6.530 . 7.030 4.467 4.300 4.602 . 0 0 "[ . 1]" 1
621 1 56 ALA MB 1 57 VAL H 6.430 . 6.930 2.464 2.264 2.859 . 0 0 "[ . 1]" 1
622 1 57 VAL MG2 1 58 CYS H 6.530 . 7.030 3.956 3.470 4.197 . 0 0 "[ . 1]" 1
623 1 62 LYS H 1 63 VAL MG1 6.530 . 7.030 4.629 4.287 4.803 . 0 0 "[ . 1]" 1
624 1 63 VAL MG2 1 73 TYR H 6.530 . 7.030 4.009 3.809 4.429 . 0 0 "[ . 1]" 1
625 1 63 VAL MG1 1 64 THR H 6.530 . 7.030 3.750 3.620 3.955 . 0 0 "[ . 1]" 1
626 1 63 VAL MG2 1 64 THR H 6.530 . 7.030 3.562 3.176 3.855 . 0 0 "[ . 1]" 1
627 1 64 THR MG 1 65 CYS H 6.530 . 7.030 3.061 2.502 3.574 . 0 0 "[ . 1]" 1
628 1 64 THR MG 1 68 GLY H 6.530 . 7.030 3.961 3.501 4.459 . 0 0 "[ . 1]" 1
629 1 64 THR MG 1 69 GLN H 6.530 . 7.030 5.038 4.449 5.518 . 0 0 "[ . 1]" 1
630 1 70 THR MG 1 71 ASN H 6.530 . 7.030 3.448 2.893 3.935 . 0 0 "[ . 1]" 1
631 1 73 TYR H 1 107 ILE MG 6.530 . 7.030 3.258 2.999 3.497 . 0 0 "[ . 1]" 1
632 1 63 VAL MG1 1 74 GLN H 6.220 . 6.720 2.580 2.393 2.693 . 0 0 "[ . 1]" 1
633 1 74 GLN HE21 1 107 ILE MD 6.530 . 7.030 2.907 2.015 4.704 . 0 0 "[ . 1]" 1
634 1 74 GLN HE22 1 107 ILE MD 6.530 . 7.030 4.008 3.471 5.303 . 0 0 "[ . 1]" 1
635 1 75 SER H 1 107 ILE MD 6.400 . 6.900 3.036 2.909 3.342 . 0 0 "[ . 1]" 1
636 1 75 SER H 1 106 ILE MG 6.530 . 7.030 5.295 5.176 5.389 . 0 0 "[ . 1]" 1
637 1 57 VAL MG1 1 75 SER H 6.530 . 7.030 3.083 2.646 4.146 . 0 0 "[ . 1]" 1
638 1 57 VAL MG1 1 76 LYS H 6.530 . 7.030 3.927 3.492 4.741 . 0 0 "[ . 1]" 1
639 1 57 VAL MG2 1 76 LYS H 6.530 . 7.030 2.699 2.204 3.759 . 0 0 "[ . 1]" 1
640 1 45 THR MG 1 82 THR H 6.530 . 7.030 3.864 3.076 4.364 . 0 0 "[ . 1]" 1
641 1 82 THR MG 1 83 ASP H 6.400 . 6.900 3.928 3.390 4.117 . 0 0 "[ . 1]" 1
642 1 83 ASP H 1 102 VAL MG2 6.530 . 7.030 3.427 3.032 3.639 . 0 0 "[ . 1]" 1
643 1 45 THR MG 1 84 CYS H 6.530 . 7.030 4.097 3.978 4.273 . 0 0 "[ . 1]" 1
644 1 43 VAL MG1 1 85 ARG HE 6.530 . 7.030 3.752 2.669 4.910 . 0 0 "[ . 1]" 1
645 1 43 VAL MG1 1 86 GLU H 6.530 . 7.030 3.770 3.535 4.005 . 0 0 "[ . 1]" 1
646 1 87 THR MG 1 88 GLY H 6.530 . 7.030 3.686 3.351 3.840 . 0 0 "[ . 1]" 1
647 1 87 THR MG 1 89 SER H 6.530 . 7.030 5.259 4.486 5.756 . 0 0 "[ . 1]" 1
648 1 91 LYS H 1 96 ALA MB 6.530 . 7.030 3.627 3.069 4.004 . 0 0 "[ . 1]" 1
649 1 96 ALA MB 1 97 TYR H 6.530 . 7.030 3.625 3.425 3.771 . 0 0 "[ . 1]" 1
650 1 87 THR MG 1 98 LYS H 6.530 . 7.030 3.370 3.021 3.984 . 0 0 "[ . 1]" 1
651 1 99 THR MG 1 100 THR H 6.530 . 7.030 2.653 2.392 2.979 . 0 0 "[ . 1]" 1
652 1 100 THR MG 1 101 GLN H 6.530 . 7.030 3.322 2.944 3.748 . 0 0 "[ . 1]" 1
653 1 102 VAL MG1 1 103 GLU H 6.530 . 7.030 3.639 3.235 3.980 . 0 0 "[ . 1]" 1
654 1 102 VAL MG2 1 103 GLU H 6.530 . 7.030 3.782 3.458 3.994 . 0 0 "[ . 1]" 1
655 1 105 HIS H 1 124 VAL MG2 6.530 . 7.030 4.697 4.505 4.993 . 0 0 "[ . 1]" 1
656 1 106 ILE H 1 107 ILE MD 6.530 . 7.030 4.416 4.003 4.788 . 0 0 "[ . 1]" 1
657 1 109 ALA MB 1 110 CYS H 6.280 . 6.780 3.349 3.163 3.533 . 0 0 "[ . 1]" 1
658 1 108 VAL MG2 1 110 CYS H 6.530 . 7.030 4.235 3.665 4.649 . 0 0 "[ . 1]" 1
659 1 111 GLY H 1 118 VAL MG1 6.280 . 6.780 3.251 2.961 3.526 . 0 0 "[ . 1]" 1
660 1 111 GLY H 1 118 VAL MG2 6.000 . 6.500 3.339 2.833 3.850 . 0 0 "[ . 1]" 1
661 1 109 ALA MB 1 118 VAL H 6.530 . 7.030 3.363 3.155 3.681 . 0 0 "[ . 1]" 1
662 1 118 VAL MG1 1 119 HIS H 6.530 . 7.030 4.280 4.247 4.315 . 0 0 "[ . 1]" 1
663 1 118 VAL MG2 1 119 HIS H 6.530 . 7.030 2.899 2.693 3.111 . 0 0 "[ . 1]" 1
664 1 109 ALA MB 1 121 ASP H 6.530 . 7.030 4.230 3.759 4.440 . 0 0 "[ . 1]" 1
665 1 108 VAL MG1 1 121 ASP H 6.530 . 7.030 3.752 3.468 4.370 . 0 0 "[ . 1]" 1
666 1 107 ILE MG 1 121 ASP H 6.530 . 7.030 3.994 3.685 4.305 . 0 0 "[ . 1]" 1
667 1 107 ILE MG 1 122 ALA H 6.530 . 7.030 3.555 3.445 3.719 . 0 0 "[ . 1]" 1
668 1 107 ILE MD 1 122 ALA H 6.530 . 7.030 4.903 4.841 4.955 . 0 0 "[ . 1]" 1
669 1 122 ALA MB 1 123 SER H 5.130 . 5.630 2.142 2.014 2.241 . 0 0 "[ . 1]" 1
670 1 107 ILE MD 1 123 SER H 6.530 . 7.030 5.299 5.060 5.503 . 0 0 "[ . 1]" 1
671 1 3 SER H 1 4 ALA MB 6.120 . 6.620 4.948 4.481 5.238 . 0 0 "[ . 1]" 1
672 1 4 ALA H 1 5 ALA MB 6.530 . 7.030 5.082 4.925 5.270 . 0 0 "[ . 1]" 1
673 1 79 MET H 1 106 ILE MG 6.530 . 7.030 3.657 3.225 4.491 . 0 0 "[ . 1]" 1
674 1 106 ILE MG 1 124 VAL H 6.530 . 7.030 5.025 4.853 5.197 . 0 0 "[ . 1]" 1
675 1 5 ALA H 1 118 VAL MG1 6.530 . 7.030 2.852 2.387 3.110 . 0 0 "[ . 1]" 1
676 1 13 MET ME 1 50 SER H 6.530 . 7.030 3.408 2.767 3.882 . 0 0 "[ . 1]" 1
677 1 26 CYS H 1 99 THR MG 6.530 . 7.030 4.258 3.699 4.674 . 0 0 "[ . 1]" 1
678 1 47 VAL H 1 81 ILE MG 6.530 . 7.030 4.140 3.464 4.677 . 0 0 "[ . 1]" 1
679 1 3 SER HA 1 3 SER HB2 2.830 . 3.330 3.016 3.010 3.024 . 0 0 "[ . 1]" 1
680 1 7 LYS HA 1 7 LYS HB2 2.860 . 3.360 2.400 2.267 2.632 . 0 0 "[ . 1]" 1
681 1 12 HIS HA 1 47 VAL H 5.410 . 5.910 4.094 3.888 4.393 . 0 0 "[ . 1]" 1
682 1 13 MET HA 1 47 VAL HA 5.470 . 5.970 4.654 4.337 4.837 . 0 0 "[ . 1]" 1
683 1 13 MET HA 1 47 VAL H 3.830 . 4.330 2.785 2.300 3.146 . 0 0 "[ . 1]" 1
684 1 14 ASP H 1 14 ASP HA 2.830 . 3.330 2.905 2.792 2.985 . 0 0 "[ . 1]" 1
685 1 17 ASN HA 1 17 ASN HB2 2.590 . 3.090 2.474 2.418 2.577 . 0 0 "[ . 1]" 1
686 1 20 SER HA 1 20 SER HB2 2.830 . 3.330 2.596 2.404 3.015 . 0 0 "[ . 1]" 1
687 1 21 SER HA 1 21 SER HB2 2.520 . 3.020 2.439 2.313 2.566 . 0 0 "[ . 1]" 1
688 1 20 SER HB2 1 21 SER HA 4.320 . 4.820 4.348 4.062 4.662 . 0 0 "[ . 1]" 1
689 1 22 SER HA 1 22 SER HB2 2.960 . 3.460 2.677 2.431 3.061 . 0 0 "[ . 1]" 1
690 1 23 SER HA 1 23 SER HB2 2.740 . 3.240 2.635 2.524 2.788 . 0 0 "[ . 1]" 1
691 1 24 ASN HA 1 24 ASN HB2 2.860 . 3.360 3.032 3.021 3.037 . 0 0 "[ . 1]" 1
692 1 25 TYR HA 1 28 LEU HB2 3.390 . 3.890 3.530 3.468 3.641 . 0 0 "[ . 1]" 1
693 1 28 LEU HA 1 28 LEU HB2 2.860 . 3.360 2.511 2.477 2.556 . 0 0 "[ . 1]" 1
694 1 27 ASN HB2 1 28 LEU HA 4.200 . 4.700 4.305 4.243 4.432 . 0 0 "[ . 1]" 1
695 1 29 MET HA 1 32 CYS HB2 5.100 . 5.600 3.113 2.438 3.632 . 0 0 "[ . 1]" 1
696 1 33 ARG HA 1 34 LYS HB2 5.380 . 5.880 4.315 3.767 4.701 . 0 0 "[ . 1]" 1
697 1 36 THR HA 1 36 THR HB 2.650 . 3.150 2.591 2.415 2.716 . 0 0 "[ . 1]" 1
698 1 36 THR HA 1 40 CYS HB2 5.070 . 5.570 3.992 3.445 5.009 . 0 0 "[ . 1]" 1
699 1 41 LYS HA 1 43 VAL H 3.730 . 4.230 3.875 3.772 3.982 . 0 0 "[ . 1]" 1
700 1 41 LYS HA 1 41 LYS HB2 2.860 . 3.360 2.845 2.613 3.003 . 0 0 "[ . 1]" 1
701 1 37 GLN HA 1 37 GLN HB2 2.960 . 3.460 2.987 2.605 3.040 . 0 0 "[ . 1]" 1
702 1 39 LYS HA 1 39 LYS HB2 2.860 . 3.360 2.511 2.424 2.602 . 0 0 "[ . 1]" 1
703 1 42 PRO HA 1 86 GLU HA 5.070 . 5.570 4.619 4.371 4.853 . 0 0 "[ . 1]" 1
704 1 81 ILE HA 1 82 THR HA 4.380 . 4.880 4.451 4.419 4.491 . 0 0 "[ . 1]" 1
705 1 47 VAL HA 1 81 ILE HA 3.020 . 3.520 2.462 2.255 2.975 . 0 0 "[ . 1]" 1
706 1 43 VAL HA 1 43 VAL HB 2.900 . 3.400 2.520 2.403 2.576 . 0 0 "[ . 1]" 1
707 1 81 ILE HA 1 81 ILE HB 2.960 . 3.460 2.605 2.301 2.997 . 0 0 "[ . 1]" 1
708 1 43 VAL HA 1 44 ASN H 3.390 . 3.890 2.220 2.156 2.287 . 0 0 "[ . 1]" 1
709 1 92 TYR HB2 1 95 CYS HA 4.760 . 5.260 4.590 3.799 4.994 . 0 0 "[ . 1]" 1
710 1 104 LYS HA 1 104 LYS HB2 2.830 . 3.330 3.001 2.967 3.043 . 0 0 "[ . 1]" 1
711 1 43 VAL H 1 44 ASN HA 5.440 . 5.940 5.012 4.952 5.092 . 0 0 "[ . 1]" 1
712 1 45 THR HA 1 46 PHE H 2.990 . 3.490 2.245 2.132 2.331 . 0 0 "[ . 1]" 1
713 1 47 VAL HA 1 82 THR H 4.450 . 4.950 3.527 3.269 3.711 . 0 0 "[ . 1]" 1
714 1 15 SER HA 1 48 HIS HA 3.080 . 3.580 2.654 2.057 3.235 . 0 0 "[ . 1]" 1
715 1 50 SER HA 1 50 SER HB2 2.990 . 3.490 2.845 2.424 3.054 . 0 0 "[ . 1]" 1
716 1 51 LEU HA 1 54 VAL HB 3.080 . 3.580 2.760 2.494 3.138 . 0 0 "[ . 1]" 1
717 1 51 LEU HA 1 51 LEU HB2 2.650 . 3.150 2.468 2.379 2.541 . 0 0 "[ . 1]" 1
718 1 51 LEU HA 1 53 ASP H 4.040 . 4.540 4.135 4.043 4.347 . 0 0 "[ . 1]" 1
719 1 51 LEU HA 1 55 LYS H 4.450 . 4.950 4.211 3.950 4.547 . 0 0 "[ . 1]" 1
720 1 52 ALA HA 1 55 LYS HB2 3.050 . 3.550 2.879 2.145 3.205 . 0 0 "[ . 1]" 1
721 1 52 ALA HA 1 55 LYS H 4.040 . 4.540 3.365 3.127 3.684 . 0 0 "[ . 1]" 1
722 1 54 VAL HA 1 57 VAL H 3.830 . 4.330 3.438 3.062 3.656 . 0 0 "[ . 1]" 1
723 1 54 VAL H 1 54 VAL HB 3.300 . 3.800 2.330 2.129 2.535 . 0 0 "[ . 1]" 1
724 1 54 VAL HB 1 55 LYS H 3.550 . 4.050 2.885 2.703 3.263 . 0 0 "[ . 1]" 1
725 1 55 LYS H 1 55 LYS HB2 3.790 . 4.290 2.330 2.088 2.505 . 0 0 "[ . 1]" 1
726 1 57 VAL HA 1 75 SER HA 4.350 . 4.850 3.223 2.555 3.610 . 0 0 "[ . 1]" 1
727 1 57 VAL HA 1 58 CYS H 4.200 . 4.700 3.599 3.569 3.644 . 0 0 "[ . 1]" 1
728 1 58 CYS H 1 58 CYS HB2 3.580 . 4.080 3.103 2.529 3.425 . 0 0 "[ . 1]" 1
729 1 59 SER HA 1 59 SER HB2 2.770 . 3.270 2.648 2.463 3.004 . 0 0 "[ . 1]" 1
730 1 57 VAL HA 1 60 GLN HB2 3.890 . 4.390 2.210 2.122 2.345 . 0 0 "[ . 1]" 1
731 1 61 LYS HA 1 61 LYS HB2 2.930 . 3.430 2.908 2.476 3.024 . 0 0 "[ . 1]" 1
732 1 62 LYS HA 1 62 LYS HB2 2.770 . 3.270 2.549 2.436 2.659 . 0 0 "[ . 1]" 1
733 1 62 LYS HA 1 73 TYR HA 3.020 . 3.520 2.247 2.121 2.558 . 0 0 "[ . 1]" 1
734 1 62 LYS HA 1 63 VAL H 2.900 . 3.400 2.267 2.232 2.309 . 0 0 "[ . 1]" 1
735 1 62 LYS HA 1 74 GLN H 3.950 . 4.450 3.726 3.400 3.896 . 0 0 "[ . 1]" 1
736 1 63 VAL HA 1 63 VAL HB 2.650 . 3.150 2.425 2.325 2.461 . 0 0 "[ . 1]" 1
737 1 66 LYS HA 1 66 LYS HB2 2.830 . 3.330 2.552 2.321 3.010 . 0 0 "[ . 1]" 1
738 1 67 ASP HA 1 67 ASP HB2 2.740 . 3.240 2.412 2.263 2.585 . 0 0 "[ . 1]" 1
739 1 69 GLN HA 1 69 GLN HB2 2.740 . 3.240 2.515 2.445 2.712 . 0 0 "[ . 1]" 1
740 1 70 THR HA 1 70 THR HB 2.520 . 3.020 2.513 2.357 2.735 . 0 0 "[ . 1]" 1
741 1 71 ASN HA 1 71 ASN HB2 2.860 . 3.360 2.558 2.390 3.011 . 0 0 "[ . 1]" 1
742 1 81 ILE HA 1 82 THR H 3.330 . 3.830 2.147 2.053 2.210 . 0 0 "[ . 1]" 1
743 1 73 TYR HA 1 74 GLN HB2 5.280 . 5.780 4.516 4.406 4.707 . 0 0 "[ . 1]" 1
744 1 73 TYR HA 1 74 GLN HA 5.100 . 5.600 4.431 4.377 4.489 . 0 0 "[ . 1]" 1
745 1 74 GLN HA 1 107 ILE HA 3.450 . 3.950 2.383 2.270 2.488 . 0 0 "[ . 1]" 1
746 1 76 LYS HA 1 77 SER HA 4.970 . 5.470 4.720 4.647 4.773 . 0 0 "[ . 1]" 1
747 1 77 SER HA 1 78 THR HA 5.250 . 5.750 4.492 4.411 4.568 . 0 0 "[ . 1]" 1
748 1 76 LYS HB2 1 77 SER HA 5.040 . 5.540 4.660 4.274 4.879 . 0 0 "[ . 1]" 1
749 1 77 SER HA 1 77 SER HB2 2.710 . 3.210 2.551 2.448 2.633 . 0 0 "[ . 1]" 1
750 1 78 THR HA 1 78 THR HB 2.680 . 3.180 2.588 2.571 2.609 . 0 0 "[ . 1]" 1
751 1 78 THR HA 1 105 HIS HA 3.140 . 3.640 2.313 2.259 2.389 . 0 0 "[ . 1]" 1
752 1 78 THR HA 1 104 LYS HA 4.040 . 4.540 3.781 3.489 4.011 . 0 0 "[ . 1]" 1
753 1 78 THR HA 1 104 LYS H 4.040 . 4.540 4.034 3.779 4.168 . 0 0 "[ . 1]" 1
754 1 78 THR HA 1 79 MET H 2.740 . 3.240 2.307 2.220 2.443 . 0 0 "[ . 1]" 1
755 1 78 THR HB 1 79 MET HA 5.280 . 5.780 4.469 4.186 4.784 . 0 0 "[ . 1]" 1
756 1 78 THR HB 1 79 MET H 3.270 . 3.770 3.002 2.740 3.304 . 0 0 "[ . 1]" 1
757 1 113 LYS HA 1 114 PRO HA 2.650 . 3.150 2.370 2.285 2.569 . 0 0 "[ . 1]" 1
758 1 113 LYS HB2 1 114 PRO HA 3.140 . 3.640 3.015 2.536 3.524 . 0 0 "[ . 1]" 1
759 1 81 ILE HB 1 82 THR H 3.300 . 3.800 3.046 2.429 3.566 . 0 0 "[ . 1]" 1
760 1 82 THR HA 1 83 ASP H 4.480 . 4.980 2.286 2.206 2.346 . 0 0 "[ . 1]" 1
761 1 81 ILE HA 1 82 THR HB 5.470 . 5.970 5.115 4.167 5.537 . 0 0 "[ . 1]" 1
762 1 82 THR H 1 82 THR HB 4.100 . 4.600 3.157 2.267 3.650 . 0 0 "[ . 1]" 1
763 1 84 CYS HA 1 99 THR HA 3.210 . 3.710 2.291 2.103 2.680 . 0 0 "[ . 1]" 1
764 1 84 CYS H 1 84 CYS HB2 3.700 . 4.200 2.845 2.568 3.348 . 0 0 "[ . 1]" 1
765 1 85 ARG HA 1 85 ARG HB2 2.770 . 3.270 2.605 2.498 2.756 . 0 0 "[ . 1]" 1
766 1 42 PRO HA 1 85 ARG HA 4.600 . 5.100 4.616 4.498 4.748 . 0 0 "[ . 1]" 1
767 1 92 TYR HA 1 93 PRO HB2 4.350 . 4.850 4.581 4.554 4.595 . 0 0 "[ . 1]" 1
768 1 92 TYR HA 1 93 PRO HA 2.900 . 3.400 2.316 2.224 2.410 . 0 0 "[ . 1]" 1
769 1 98 LYS HA 1 99 THR HA 4.380 . 4.880 4.434 4.396 4.497 . 0 0 "[ . 1]" 1
770 1 82 THR HA 1 101 GLN HA 3.270 . 3.770 2.385 2.202 2.789 . 0 0 "[ . 1]" 1
771 1 101 GLN HA 1 102 VAL H 3.360 . 3.860 2.261 2.225 2.312 . 0 0 "[ . 1]" 1
772 1 102 VAL HA 1 102 VAL HB 2.590 . 3.090 2.522 2.391 2.658 . 0 0 "[ . 1]" 1
773 1 80 ARG HA 1 103 GLU HA 3.480 . 3.980 2.503 2.075 3.002 . 0 0 "[ . 1]" 1
774 1 103 GLU HA 1 104 LYS HB2 5.000 . 5.500 4.277 3.960 4.613 . 0 0 "[ . 1]" 1
775 1 103 GLU HA 1 104 LYS H 2.860 . 3.360 2.175 2.090 2.275 . 0 0 "[ . 1]" 1
776 1 79 MET H 1 103 GLU HA 4.170 . 4.670 4.009 3.721 4.165 . 0 0 "[ . 1]" 1
777 1 81 ILE H 1 103 GLU HA 4.820 . 5.320 3.096 2.578 3.553 . 0 0 "[ . 1]" 1
778 1 105 HIS HA 1 106 ILE H 3.050 . 3.550 2.285 2.230 2.312 . 0 0 "[ . 1]" 1
779 1 106 ILE HA 1 107 ILE H 3.520 . 4.020 2.191 2.139 2.235 . 0 0 "[ . 1]" 1
780 1 107 ILE HA 1 121 ASP H 5.100 . 5.600 5.071 4.970 5.152 . 0 0 "[ . 1]" 1
781 1 75 SER H 1 107 ILE HA 3.240 . 3.740 3.400 3.308 3.531 . 0 0 "[ . 1]" 1
782 1 108 VAL HA 1 108 VAL HB 2.990 . 3.490 2.328 2.231 2.395 . 0 0 "[ . 1]" 1
783 1 86 GLU HA 1 97 TYR HA 2.800 . 3.300 2.377 2.234 2.693 . 0 0 "[ . 1]" 1
784 1 107 ILE HA 1 108 VAL HA 4.420 . 4.920 4.500 4.479 4.531 . 0 0 "[ . 1]" 1
785 1 108 VAL HA 1 109 ALA H 2.960 . 3.460 2.284 2.182 2.462 . 0 0 "[ . 1]" 1
786 1 108 VAL HB 1 109 ALA H 3.270 . 3.770 2.506 2.215 2.807 . 0 0 "[ . 1]" 1
787 1 73 TYR H 1 109 ALA HA 3.760 . 4.260 3.626 3.459 3.801 . 0 0 "[ . 1]" 1
788 1 110 CYS HA 1 118 VAL H 3.020 . 3.520 3.043 2.458 3.243 . 0 0 "[ . 1]" 1
789 1 113 LYS HA 1 115 SER HA 4.170 . 4.670 3.712 2.854 4.201 . 0 0 "[ . 1]" 1
790 1 115 SER HA 1 115 SER HB2 2.620 . 3.120 2.594 2.510 2.715 . 0 0 "[ . 1]" 1
791 1 116 VAL HA 1 116 VAL HB 2.770 . 3.270 2.425 2.345 2.535 . 0 0 "[ . 1]" 1
792 1 110 CYS HA 1 117 PRO HA 2.770 . 3.270 2.075 2.007 2.198 . 0 0 "[ . 1]" 1
793 1 117 PRO HA 1 119 HIS H 3.980 . 4.480 3.740 3.600 3.890 . 0 0 "[ . 1]" 1
794 1 117 PRO HA 1 118 VAL H 2.710 . 3.210 2.163 2.105 2.203 . 0 0 "[ . 1]" 1
795 1 118 VAL HA 1 118 VAL HB 2.990 . 3.490 2.448 2.417 2.510 . 0 0 "[ . 1]" 1
796 1 119 HIS HA 1 119 HIS HB2 2.900 . 3.400 2.723 2.591 2.906 . 0 0 "[ . 1]" 1
797 1 124 VAL HA 1 124 VAL HB 2.860 . 3.360 2.787 2.668 2.999 . 0 0 "[ . 1]" 1
798 1 36 THR HA 1 40 CYS HA 3.480 . 3.980 2.688 2.464 3.015 . 0 0 "[ . 1]" 1
799 1 106 ILE HA 1 123 SER HA 2.830 . 3.330 2.396 2.241 2.497 . 0 0 "[ . 1]" 1
800 1 107 ILE H 1 123 SER HA 3.980 . 4.480 2.704 2.523 2.861 . 0 0 "[ . 1]" 1
801 1 74 GLN HA 1 108 VAL H 3.920 . 4.420 3.849 3.699 3.933 . 0 0 "[ . 1]" 1
802 1 74 GLN HA 1 75 SER H 3.300 . 3.800 2.163 2.104 2.198 . 0 0 "[ . 1]" 1
803 1 78 THR HA 1 79 MET HA 5.160 . 5.660 4.538 4.477 4.609 . 0 0 "[ . 1]" 1
804 1 30 MET HA 1 32 CYS H 5.220 . 5.720 4.811 4.634 5.016 . 0 0 "[ . 1]" 1
805 1 55 LYS HA 1 55 LYS HB2 2.770 . 3.270 2.701 2.414 2.981 . 0 0 "[ . 1]" 1
806 1 55 LYS HA 1 116 VAL HA 3.730 . 4.230 3.704 3.424 3.897 . 0 0 "[ . 1]" 1
807 1 63 VAL HA 1 64 THR HB 4.720 . 5.220 4.778 4.662 4.858 . 0 0 "[ . 1]" 1
808 1 75 SER H 1 75 SER HB2 3.890 . 4.390 3.156 2.465 3.579 . 0 0 "[ . 1]" 1
809 1 4 ALA HA 1 7 LYS HD2 3.390 . 3.890 3.551 3.400 3.697 . 0 0 "[ . 1]" 1
810 1 4 ALA HA 1 118 VAL HB 5.500 . 6.000 5.613 5.501 5.711 . 0 0 "[ . 1]" 1
811 1 7 LYS HA 1 11 GLN HG2 5.500 . 6.000 5.216 3.996 5.602 . 0 0 "[ . 1]" 1
812 1 7 LYS HA 1 7 LYS HG2 4.260 . 4.760 2.806 2.619 3.158 . 0 0 "[ . 1]" 1
813 1 8 PHE HZ 1 9 GLU HA 4.690 . 5.190 4.741 4.590 4.875 . 0 0 "[ . 1]" 1
814 1 9 GLU HG2 1 10 ARG HA 5.500 . 6.000 5.763 5.636 5.844 . 0 0 "[ . 1]" 1
815 1 10 ARG HA 1 10 ARG HD2 3.730 . 4.230 2.949 2.292 3.930 . 0 0 "[ . 1]" 1
816 1 76 LYS HA 1 105 HIS HD2 5.500 . 6.000 4.638 4.062 5.529 . 0 0 "[ . 1]" 1
817 1 11 GLN HA 1 11 GLN HG2 4.040 . 4.540 2.758 2.293 3.799 . 0 0 "[ . 1]" 1
818 1 12 HIS HA 1 46 PHE HD1 4.570 . 5.070 3.961 2.786 4.799 . 0 0 "[ . 1]" 1
819 1 13 MET HA 1 47 VAL HB 3.950 . 4.450 2.337 2.144 2.540 . 0 0 "[ . 1]" 1
820 1 15 SER HA 1 48 HIS HB2 5.250 . 5.750 4.891 4.012 5.556 . 0 0 "[ . 1]" 1
821 1 25 TYR HA 1 28 LEU HG 5.070 . 5.570 4.218 3.875 4.713 . 0 0 "[ . 1]" 1
822 1 26 CYS HB2 1 97 TYR HB2 4.100 . 4.600 3.671 3.072 4.161 . 0 0 "[ . 1]" 1
823 1 26 CYS HB2 1 84 CYS HB2 5.500 . 6.000 5.128 5.056 5.239 . 0 0 "[ . 1]" 1
824 1 27 ASN HA 1 46 PHE HZ 5.500 . 6.000 5.419 4.991 5.801 . 0 0 "[ . 1]" 1
825 1 34 LYS HA 1 34 LYS HG2 3.080 . 3.580 2.375 2.207 2.459 . 0 0 "[ . 1]" 1
826 1 34 LYS HA 1 37 GLN HG2 5.190 . 5.690 4.983 4.613 5.452 . 0 0 "[ . 1]" 1
827 1 37 GLN HA 1 37 GLN HG2 4.290 . 4.790 2.742 2.336 3.044 . 0 0 "[ . 1]" 1
828 1 39 LYS HA 1 92 TYR QD 4.230 . 4.730 3.282 2.859 3.656 . 0 0 "[ . 1]" 1
829 1 42 PRO HA 1 42 PRO HG2 4.040 . 4.540 3.868 3.844 3.894 . 0 0 "[ . 1]" 1
830 1 41 LYS HA 1 42 PRO HD2 2.860 . 3.360 2.175 2.104 2.237 . 0 0 "[ . 1]" 1
831 1 42 PRO HD2 1 42 PRO HG2 2.590 . 3.090 2.324 2.301 2.350 . 0 0 "[ . 1]" 1
832 1 43 VAL HA 1 97 TYR QE 4.790 . 5.290 4.760 4.606 4.908 . 0 0 "[ . 1]" 1
833 1 104 LYS HA 1 104 LYS HG2 3.480 . 3.980 3.548 3.368 3.600 . 0 0 "[ . 1]" 1
834 1 78 THR HB 1 104 LYS HA 4.290 . 4.790 3.422 2.985 3.695 . 0 0 "[ . 1]" 1
835 1 90 SER HB2 1 95 CYS HA 5.160 . 5.660 3.761 2.386 5.185 . 0 0 "[ . 1]" 1
836 1 45 THR HA 1 83 ASP HB2 5.500 . 6.000 4.127 3.822 4.912 . 0 0 "[ . 1]" 1
837 1 45 THR HB 1 120 PHE QE 4.690 . 5.190 3.027 2.727 4.126 . 0 0 "[ . 1]" 1
838 1 46 PHE HA 1 46 PHE HD1 4.480 . 4.980 2.732 2.108 3.501 . 0 0 "[ . 1]" 1
839 1 47 VAL HA 1 81 ILE HB 4.910 . 5.410 3.971 3.035 5.220 . 0 0 "[ . 1]" 1
840 1 47 VAL HA 1 81 ILE HG12 5.500 . 6.000 5.345 4.521 5.622 . 0 0 "[ . 1]" 1
841 1 54 VAL HA 1 117 PRO HG2 5.500 . 6.000 5.578 5.229 5.756 . 0 0 "[ . 1]" 1
842 1 51 LEU HG 1 54 VAL HB 5.500 . 6.000 4.375 3.232 5.377 . 0 0 "[ . 1]" 1
843 1 55 LYS HB2 1 55 LYS HG2 2.800 . 3.300 2.739 2.535 2.988 . 0 0 "[ . 1]" 1
844 1 55 LYS HA 1 55 LYS HD2 4.510 . 5.010 3.900 2.480 4.626 . 0 0 "[ . 1]" 1
845 1 55 LYS H 1 55 LYS HD2 5.280 . 5.780 3.990 2.468 5.271 . 0 0 "[ . 1]" 1
846 1 57 VAL HA 1 60 GLN HG2 3.980 . 4.480 3.573 3.271 3.989 . 0 0 "[ . 1]" 1
847 1 58 CYS HA 1 73 TYR HB2 4.260 . 4.760 2.438 2.257 2.871 . 0 0 "[ . 1]" 1
848 1 59 SER HA 1 73 TYR HE1 5.500 . 6.000 5.424 4.415 5.706 . 0 0 "[ . 1]" 1
849 1 60 GLN HA 1 60 GLN HG2 3.610 . 4.110 3.458 2.343 3.680 . 0 0 "[ . 1]" 1
850 1 61 LYS HA 1 61 LYS HG2 4.230 . 4.730 2.791 2.410 3.626 . 0 0 "[ . 1]" 1
851 1 61 LYS HD2 1 61 LYS HG2 2.680 . 3.180 2.471 2.425 2.551 . 0 0 "[ . 1]" 1
852 1 62 LYS HA 1 62 LYS HG2 2.860 . 3.360 2.396 2.260 2.576 . 0 0 "[ . 1]" 1
853 1 62 LYS HA 1 73 TYR HB2 5.280 . 5.780 4.508 4.238 5.048 . 0 0 "[ . 1]" 1
854 1 62 LYS HA 1 73 TYR HE1 5.500 . 6.000 4.104 3.330 4.475 . 0 0 "[ . 1]" 1
855 1 62 LYS HA 1 73 TYR HD1 5.500 . 6.000 3.209 2.387 3.716 . 0 0 "[ . 1]" 1
856 1 62 LYS HB2 1 73 TYR HE1 5.500 . 6.000 3.622 2.390 4.164 . 0 0 "[ . 1]" 1
857 1 69 GLN HA 1 69 GLN HG2 3.640 . 4.140 3.190 2.811 3.718 . 0 0 "[ . 1]" 1
858 1 71 ASN HA 1 73 TYR HE1 5.500 . 6.000 5.107 4.250 5.792 . 0 0 "[ . 1]" 1
859 1 73 TYR HA 1 73 TYR HD1 4.420 . 4.920 3.283 2.695 3.637 . 0 0 "[ . 1]" 1
860 1 76 LYS HA 1 76 LYS HD2 5.500 . 6.000 4.946 4.317 5.572 . 0 0 "[ . 1]" 1
861 1 77 SER HA 1 105 HIS HD2 5.470 . 5.970 3.291 2.951 3.824 . 0 0 "[ . 1]" 1
862 1 76 LYS HB2 1 77 SER HB2 5.500 . 6.000 5.530 5.182 5.731 . 0 0 "[ . 1]" 1
863 1 78 THR HB 1 103 GLU HB2 3.640 . 4.140 2.822 2.536 3.026 . 0 0 "[ . 1]" 1
864 1 78 THR HB 1 103 GLU HG2 5.380 . 5.880 4.727 4.222 5.408 . 0 0 "[ . 1]" 1
865 1 78 THR HB 1 105 HIS HA 4.660 . 5.160 4.716 4.665 4.775 . 0 0 "[ . 1]" 1
866 1 78 THR HB 1 103 GLU HA 5.160 . 5.660 4.059 3.695 4.524 . 0 0 "[ . 1]" 1
867 1 78 THR HB 1 104 LYS H 4.040 . 4.540 3.468 3.019 3.705 . 0 0 "[ . 1]" 1
868 1 79 MET H 1 79 MET HG2 5.500 . 6.000 3.859 2.867 4.682 . 0 0 "[ . 1]" 1
869 1 80 ARG HA 1 80 ARG HD2 3.520 . 4.020 3.696 3.532 3.945 . 0 0 "[ . 1]" 1
870 1 81 ILE H 1 81 ILE HG12 4.760 . 5.260 2.993 2.237 4.321 . 0 0 "[ . 1]" 1
871 1 46 PHE HB2 1 82 THR HB 5.500 . 6.000 2.762 2.149 3.366 . 0 0 "[ . 1]" 1
872 1 25 TYR HE2 1 82 THR HB 5.500 . 6.000 5.483 4.784 5.723 . 0 0 "[ . 1]" 1
873 1 46 PHE HD1 1 82 THR HB 5.500 . 6.000 5.575 5.088 5.831 . 0 0 "[ . 1]" 1
874 1 83 ASP HB2 1 100 THR HB 3.670 . 4.170 3.577 2.666 3.796 . 0 0 "[ . 1]" 1
875 1 44 ASN HB2 1 84 CYS HB2 5.500 . 6.000 5.707 5.599 5.829 . 0 0 "[ . 1]" 1
876 1 85 ARG HA 1 85 ARG HD2 5.470 . 5.970 4.460 4.147 4.682 . 0 0 "[ . 1]" 1
877 1 85 ARG HA 1 97 TYR QE 5.500 . 6.000 4.501 4.069 4.716 . 0 0 "[ . 1]" 1
878 1 85 ARG HB2 1 85 ARG HD2 3.860 . 4.360 2.897 2.416 3.644 . 0 0 "[ . 1]" 1
879 1 91 LYS HA 1 91 LYS HG2 2.900 . 3.400 2.636 2.264 2.961 . 0 0 "[ . 1]" 1
880 1 91 LYS HE2 1 91 LYS HG2 4.040 . 4.540 3.450 2.928 3.846 . 0 0 "[ . 1]" 1
881 1 91 LYS HA 1 91 LYS HE2 4.510 . 5.010 3.591 2.590 4.590 . 0 0 "[ . 1]" 1
882 1 92 TYR HA 1 92 TYR QD 3.480 . 3.980 2.941 2.773 3.144 . 0 0 "[ . 1]" 1
883 1 92 TYR QD 1 93 PRO HA 4.480 . 4.980 2.739 2.600 2.941 . 0 0 "[ . 1]" 1
884 1 93 PRO HB2 1 93 PRO HD2 4.070 . 4.570 4.135 4.129 4.139 . 0 0 "[ . 1]" 1
885 1 93 PRO HD2 1 94 ASN HD22 5.500 . 6.000 5.132 3.514 5.515 . 0 0 "[ . 1]" 1
886 1 27 ASN HD22 1 96 ALA HA 5.500 . 6.000 4.556 4.015 5.017 . 0 0 "[ . 1]" 1
887 1 61 LYS HB2 1 74 GLN H 5.500 . 6.000 3.805 3.240 5.068 . 0 0 "[ . 1]" 1
888 1 98 LYS HA 1 98 LYS HG2 3.950 . 4.450 2.825 2.478 3.870 . 0 0 "[ . 1]" 1
889 1 22 SER HA 1 99 THR HB 4.660 . 5.160 2.830 2.247 4.182 . 0 0 "[ . 1]" 1
890 1 101 GLN HA 1 101 GLN HG2 3.140 . 3.640 2.599 2.375 2.925 . 0 0 "[ . 1]" 1
891 1 103 GLU HA 1 103 GLU HG2 3.730 . 4.230 3.813 3.675 3.955 . 0 0 "[ . 1]" 1
892 1 104 LYS HB2 1 123 SER HB2 3.480 . 3.980 3.218 2.770 3.529 . 0 0 "[ . 1]" 1
893 1 104 LYS HG2 1 123 SER HB2 4.260 . 4.760 4.057 3.690 4.345 . 0 0 "[ . 1]" 1
894 1 104 LYS HG2 1 124 VAL HA 3.640 . 4.140 2.209 2.109 2.293 . 0 0 "[ . 1]" 1
895 1 104 LYS H 1 104 LYS HG2 5.500 . 6.000 4.899 4.790 5.072 . 0 0 "[ . 1]" 1
896 1 105 HIS HB2 1 107 ILE HG12 3.890 . 4.390 4.107 3.984 4.213 . 0 0 "[ . 1]" 1
897 1 105 HIS HB2 1 105 HIS HE2 5.070 . 5.570 5.194 5.125 5.241 . 0 0 "[ . 1]" 1
898 1 106 ILE HA 1 123 SER HB2 4.040 . 4.540 4.180 4.128 4.259 . 0 0 "[ . 1]" 1
899 1 106 ILE HA 1 120 PHE QE 5.160 . 5.660 3.279 2.796 3.708 . 0 0 "[ . 1]" 1
900 1 75 SER HB2 1 106 ILE HB 5.500 . 6.000 5.317 4.551 5.798 . 0 0 "[ . 1]" 1
901 1 106 ILE HB 1 120 PHE QE 3.760 . 4.260 3.025 2.777 3.321 . 0 0 "[ . 1]" 1
902 1 107 ILE HA 1 107 ILE HG12 3.210 . 3.710 3.339 3.236 3.430 . 0 0 "[ . 1]" 1
903 1 107 ILE HB 1 121 ASP HB2 4.230 . 4.730 4.146 3.990 4.304 . 0 0 "[ . 1]" 1
904 1 107 ILE HB 1 107 ILE HG12 2.400 . 2.900 2.462 2.434 2.543 . 0 0 "[ . 1]" 1
905 1 97 TYR HA 1 97 TYR QE 5.500 . 6.000 4.701 4.507 4.834 . 0 0 "[ . 1]" 1
906 1 58 CYS HA 1 110 CYS HB2 4.010 . 4.510 2.649 2.397 2.909 . 0 0 "[ . 1]" 1
907 1 110 CYS HB2 1 117 PRO HA 4.600 . 5.100 3.766 2.565 4.170 . 0 0 "[ . 1]" 1
908 1 73 TYR HD1 1 110 CYS HB2 5.500 . 6.000 3.596 2.548 5.660 . 0 0 "[ . 1]" 1
909 1 108 VAL HB 1 117 PRO HA 5.500 . 6.000 4.521 4.164 5.103 . 0 0 "[ . 1]" 1
910 1 117 PRO HA 1 117 PRO HG2 3.950 . 4.450 3.903 3.836 3.976 . 0 0 "[ . 1]" 1
911 1 108 VAL HB 1 117 PRO HB2 5.500 . 6.000 2.930 2.620 3.557 . 0 0 "[ . 1]" 1
912 1 8 PHE HZ 1 117 PRO HB2 5.190 . 5.690 3.086 2.669 3.391 . 0 0 "[ . 1]" 1
913 1 8 PHE HZ 1 117 PRO HG2 4.380 . 4.880 4.501 4.384 4.623 . 0 0 "[ . 1]" 1
914 1 55 LYS HB2 1 117 PRO HD2 4.690 . 5.190 4.483 3.752 5.010 . 0 0 "[ . 1]" 1
915 1 116 VAL HB 1 117 PRO HD2 3.080 . 3.580 2.583 2.388 2.744 . 0 0 "[ . 1]" 1
916 1 116 VAL HA 1 117 PRO HD2 3.210 . 3.710 2.483 2.308 2.757 . 0 0 "[ . 1]" 1
917 1 8 PHE HB2 1 118 VAL HA 4.040 . 4.540 3.621 3.142 4.103 . 0 0 "[ . 1]" 1
918 1 8 PHE HZ 1 118 VAL HA 5.500 . 6.000 5.576 5.424 5.690 . 0 0 "[ . 1]" 1
919 1 8 PHE HE1 1 119 HIS HA 5.500 . 6.000 3.276 2.844 3.583 . 0 0 "[ . 1]" 1
920 1 119 HIS HA 1 119 HIS HD2 4.540 . 5.040 2.863 2.471 3.147 . 0 0 "[ . 1]" 1
921 1 120 PHE HA 1 120 PHE HD1 4.630 . 5.130 2.989 2.467 4.221 . 0 0 "[ . 1]" 1
922 1 8 PHE HZ 1 120 PHE HA 4.290 . 4.790 3.736 3.334 4.318 . 0 0 "[ . 1]" 1
923 1 8 PHE HZ 1 120 PHE HB2 4.910 . 5.410 3.410 3.124 3.846 . 0 0 "[ . 1]" 1
924 1 107 ILE HG12 1 122 ALA HA 5.500 . 6.000 5.155 4.967 5.354 . 0 0 "[ . 1]" 1
925 1 120 PHE HZ 1 122 ALA HA 5.500 . 6.000 3.072 2.607 5.515 . 0 0 "[ . 1]" 1
926 1 120 PHE QE 1 123 SER HB2 5.000 . 5.500 4.413 4.236 4.542 . 0 0 "[ . 1]" 1
927 1 105 HIS HB2 1 124 VAL HB 5.500 . 6.000 5.514 5.042 5.622 . 0 0 "[ . 1]" 1
928 1 106 ILE HB 1 123 SER HA 5.130 . 5.630 4.655 4.579 4.774 . 0 0 "[ . 1]" 1
929 1 120 PHE QE 1 123 SER HA 4.570 . 5.070 3.981 3.611 4.120 . 0 0 "[ . 1]" 1
930 1 79 MET HA 1 79 MET HG2 4.010 . 4.510 3.031 2.281 3.959 . 0 0 "[ . 1]" 1
931 1 8 PHE HA 1 119 HIS HD2 5.500 . 6.000 5.595 5.511 5.710 . 0 0 "[ . 1]" 1
932 1 30 MET HA 1 46 PHE HZ 4.380 . 4.880 4.236 3.071 4.587 . 0 0 "[ . 1]" 1
933 1 55 LYS HA 1 117 PRO HG2 3.640 . 4.140 3.687 3.391 3.923 . 0 0 "[ . 1]" 1
934 1 55 LYS HA 1 55 LYS HG2 3.700 . 4.200 2.870 2.257 3.666 . 0 0 "[ . 1]" 1
935 1 55 LYS HA 1 116 VAL HB 5.500 . 6.000 4.981 4.714 5.474 . 0 0 "[ . 1]" 1
936 1 55 LYS HA 1 117 PRO HD2 3.640 . 4.140 2.868 2.618 3.242 . 0 0 "[ . 1]" 1
937 1 36 THR HB 1 40 CYS HB2 5.500 . 6.000 4.278 3.760 5.125 . 0 0 "[ . 1]" 1
938 1 86 GLU HB2 1 90 SER HB2 4.660 . 5.160 3.331 2.056 4.742 . 0 0 "[ . 1]" 1
939 1 29 MET H 1 29 MET HG2 5.500 . 6.000 4.501 4.359 4.545 . 0 0 "[ . 1]" 1
940 1 75 SER HB2 1 106 ILE H 5.500 . 6.000 3.288 2.864 3.544 . 0 0 "[ . 1]" 1
941 1 52 ALA HA 1 55 LYS HD2 3.890 . 4.390 3.815 3.144 4.222 . 0 0 "[ . 1]" 1
942 1 62 LYS HG2 1 73 TYR HA 4.510 . 5.010 4.109 3.796 4.588 . 0 0 "[ . 1]" 1
943 1 42 PRO HA 1 86 GLU HB2 3.760 . 4.260 3.382 2.459 4.017 . 0 0 "[ . 1]" 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 131
_Distance_constraint_stats_list.Viol_count 0
_Distance_constraint_stats_list.Viol_total 0.000
_Distance_constraint_stats_list.Viol_max 0.000
_Distance_constraint_stats_list.Viol_rms 0.0000
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0000
_Distance_constraint_stats_list.Viol_average_violations_only 0.0000
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 2 GLU 0.000 0.000 . 0 "[ . 1]"
1 3 SER 0.000 0.000 . 0 "[ . 1]"
1 4 ALA 0.000 0.000 . 0 "[ . 1]"
1 5 ALA 0.000 0.000 . 0 "[ . 1]"
1 8 PHE 0.000 0.000 . 0 "[ . 1]"
1 9 GLU 0.000 0.000 . 0 "[ . 1]"
1 12 HIS 0.000 0.000 . 0 "[ . 1]"
1 13 MET 0.000 0.000 . 0 "[ . 1]"
1 25 TYR 0.000 0.000 . 0 "[ . 1]"
1 28 LEU 0.000 0.000 . 0 "[ . 1]"
1 42 PRO 0.000 0.000 . 0 "[ . 1]"
1 43 VAL 0.000 0.000 . 0 "[ . 1]"
1 45 THR 0.000 0.000 . 0 "[ . 1]"
1 46 PHE 0.000 0.000 . 0 "[ . 1]"
1 47 VAL 0.000 0.000 . 0 "[ . 1]"
1 49 GLU 0.000 0.000 . 0 "[ . 1]"
1 50 SER 0.000 0.000 . 0 "[ . 1]"
1 51 LEU 0.000 0.000 . 0 "[ . 1]"
1 52 ALA 0.000 0.000 . 0 "[ . 1]"
1 53 ASP 0.000 0.000 . 0 "[ . 1]"
1 54 VAL 0.000 0.000 . 0 "[ . 1]"
1 55 LYS 0.000 0.000 . 0 "[ . 1]"
1 56 ALA 0.000 0.000 . 0 "[ . 1]"
1 57 VAL 0.000 0.000 . 0 "[ . 1]"
1 58 CYS 0.000 0.000 . 0 "[ . 1]"
1 62 LYS 0.000 0.000 . 0 "[ . 1]"
1 63 VAL 0.000 0.000 . 0 "[ . 1]"
1 64 THR 0.000 0.000 . 0 "[ . 1]"
1 66 LYS 0.000 0.000 . 0 "[ . 1]"
1 68 GLY 0.000 0.000 . 0 "[ . 1]"
1 70 THR 0.000 0.000 . 0 "[ . 1]"
1 71 ASN 0.000 0.000 . 0 "[ . 1]"
1 72 CYS 0.000 0.000 . 0 "[ . 1]"
1 73 TYR 0.000 0.000 . 0 "[ . 1]"
1 74 GLN 0.000 0.000 . 0 "[ . 1]"
1 75 SER 0.000 0.000 . 0 "[ . 1]"
1 77 SER 0.000 0.000 . 0 "[ . 1]"
1 78 THR 0.000 0.000 . 0 "[ . 1]"
1 79 MET 0.000 0.000 . 0 "[ . 1]"
1 81 ILE 0.000 0.000 . 0 "[ . 1]"
1 82 THR 0.000 0.000 . 0 "[ . 1]"
1 83 ASP 0.000 0.000 . 0 "[ . 1]"
1 85 ARG 0.000 0.000 . 0 "[ . 1]"
1 86 GLU 0.000 0.000 . 0 "[ . 1]"
1 87 THR 0.000 0.000 . 0 "[ . 1]"
1 90 SER 0.000 0.000 . 0 "[ . 1]"
1 95 CYS 0.000 0.000 . 0 "[ . 1]"
1 96 ALA 0.000 0.000 . 0 "[ . 1]"
1 97 TYR 0.000 0.000 . 0 "[ . 1]"
1 98 LYS 0.000 0.000 . 0 "[ . 1]"
1 99 THR 0.000 0.000 . 0 "[ . 1]"
1 100 THR 0.000 0.000 . 0 "[ . 1]"
1 101 GLN 0.000 0.000 . 0 "[ . 1]"
1 102 VAL 0.000 0.000 . 0 "[ . 1]"
1 103 GLU 0.000 0.000 . 0 "[ . 1]"
1 104 LYS 0.000 0.000 . 0 "[ . 1]"
1 105 HIS 0.000 0.000 . 0 "[ . 1]"
1 106 ILE 0.000 0.000 . 0 "[ . 1]"
1 107 ILE 0.000 0.000 . 0 "[ . 1]"
1 108 VAL 0.000 0.000 . 0 "[ . 1]"
1 109 ALA 0.000 0.000 . 0 "[ . 1]"
1 110 CYS 0.000 0.000 . 0 "[ . 1]"
1 111 GLY 0.000 0.000 . 0 "[ . 1]"
1 114 PRO 0.000 0.000 . 0 "[ . 1]"
1 115 SER 0.000 0.000 . 0 "[ . 1]"
1 116 VAL 0.000 0.000 . 0 "[ . 1]"
1 117 PRO 0.000 0.000 . 0 "[ . 1]"
1 118 VAL 0.000 0.000 . 0 "[ . 1]"
1 119 HIS 0.000 0.000 . 0 "[ . 1]"
1 120 PHE 0.000 0.000 . 0 "[ . 1]"
1 121 ASP 0.000 0.000 . 0 "[ . 1]"
1 122 ALA 0.000 0.000 . 0 "[ . 1]"
1 123 SER 0.000 0.000 . 0 "[ . 1]"
1 124 VAL 0.000 0.000 . 0 "[ . 1]"
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 2 GLU HG2 1 4 ALA MB 5.660 . 6.160 4.530 3.934 5.295 . 0 0 "[ . 1]" 2
2 1 3 SER HA 1 4 ALA MB 5.690 . 6.190 3.988 3.850 4.080 . 0 0 "[ . 1]" 2
3 1 3 SER HB2 1 4 ALA MB 6.530 . 7.030 4.820 4.693 4.933 . 0 0 "[ . 1]" 2
4 1 5 ALA MB 1 116 VAL MG2 5.700 . 6.200 2.127 1.951 2.383 . 0 0 "[ . 1]" 2
5 1 9 GLU HA 1 54 VAL MG1 6.530 . 7.030 4.291 3.951 4.844 . 0 0 "[ . 1]" 2
6 1 9 GLU HG2 1 54 VAL MG1 5.570 . 6.070 2.972 2.607 3.387 . 0 0 "[ . 1]" 2
7 1 12 HIS HA 1 47 VAL MG2 6.530 . 7.030 4.859 4.209 5.233 . 0 0 "[ . 1]" 2
8 1 13 MET HA 1 47 VAL MG2 6.530 . 7.030 3.514 2.410 4.112 . 0 0 "[ . 1]" 2
9 1 13 MET HA 1 47 VAL MG1 6.120 . 6.620 3.651 3.160 3.911 . 0 0 "[ . 1]" 2
10 1 25 TYR HA 1 28 LEU MD1 6.120 . 6.620 4.247 3.255 5.066 . 0 0 "[ . 1]" 2
11 1 25 TYR HB2 1 99 THR MG 5.320 . 5.820 3.440 2.378 4.316 . 0 0 "[ . 1]" 2
12 1 25 TYR QD 1 82 THR MG 5.130 . 5.630 2.771 2.517 3.217 . 0 0 "[ . 1]" 2
13 1 28 LEU HA 1 28 LEU MD1 3.990 . 4.490 2.838 2.171 3.258 . 0 0 "[ . 1]" 2
14 1 42 PRO HA 1 43 VAL MG1 6.530 . 7.030 4.282 4.114 4.408 . 0 0 "[ . 1]" 2
15 1 42 PRO HB2 1 43 VAL MG1 4.570 . 5.070 3.012 2.634 3.237 . 0 0 "[ . 1]" 2
16 1 42 PRO HG2 1 43 VAL MG1 5.070 . 5.570 3.652 2.708 4.082 . 0 0 "[ . 1]" 2
17 1 95 CYS HA 1 96 ALA MB 6.530 . 7.030 3.771 3.519 4.011 . 0 0 "[ . 1]" 2
18 1 78 THR MG 1 104 LYS HA 4.080 . 4.580 2.324 2.168 2.508 . 0 0 "[ . 1]" 2
19 1 46 PHE HA 1 47 VAL MG2 6.310 . 6.810 3.772 3.373 4.112 . 0 0 "[ . 1]" 2
20 1 47 VAL HA 1 81 ILE MG 3.830 . 4.330 2.241 1.993 2.849 . 0 0 "[ . 1]" 2
21 1 47 VAL MG2 1 82 THR H 6.190 . 6.690 4.819 4.308 5.078 . 0 0 "[ . 1]" 2
22 1 47 VAL MG1 1 82 THR H 6.530 . 7.030 5.306 5.036 5.477 . 0 0 "[ . 1]" 2
23 1 47 VAL MG1 1 49 GLU HB2 6.530 . 7.030 3.039 2.142 4.362 . 0 0 "[ . 1]" 2
24 1 13 MET ME 1 51 LEU HA 4.140 . 4.640 2.273 2.112 2.865 . 0 0 "[ . 1]" 2
25 1 13 MET ME 1 51 LEU HB2 5.880 . 6.380 3.615 2.957 4.110 . 0 0 "[ . 1]" 2
26 1 51 LEU MD2 1 52 ALA HA 6.530 . 7.030 3.818 2.470 4.879 . 0 0 "[ . 1]" 2
27 1 53 ASP HB2 1 54 VAL MG2 6.470 . 6.970 4.967 4.011 5.402 . 0 0 "[ . 1]" 2
28 1 54 VAL HA 1 54 VAL MG2 3.430 . 3.930 2.195 2.104 2.306 . 0 0 "[ . 1]" 2
29 1 54 VAL HA 1 57 VAL MG2 5.690 . 6.190 2.928 2.323 4.565 . 0 0 "[ . 1]" 2
30 1 13 MET ME 1 54 VAL MG2 6.590 . 7.090 2.039 1.893 2.214 . 0 0 "[ . 1]" 2
31 1 54 VAL H 1 54 VAL MG2 4.230 . 4.730 2.478 2.133 2.965 . 0 0 "[ . 1]" 2
32 1 54 VAL MG1 1 117 PRO HG2 4.610 . 5.110 2.475 2.123 2.835 . 0 0 "[ . 1]" 2
33 1 13 MET ME 1 54 VAL MG1 7.340 . 7.840 3.384 2.465 3.810 . 0 0 "[ . 1]" 2
34 1 54 VAL MG1 1 58 CYS H 5.500 . 6.000 4.420 4.115 4.703 . 0 0 "[ . 1]" 2
35 1 8 PHE HZ 1 54 VAL MG1 4.610 . 5.110 3.797 3.130 4.169 . 0 0 "[ . 1]" 2
36 1 54 VAL MG1 1 55 LYS H 6.530 . 7.030 3.058 2.679 3.429 . 0 0 "[ . 1]" 2
37 1 56 ALA MB 1 57 VAL HA 6.500 . 7.000 3.912 3.845 4.021 . 0 0 "[ . 1]" 2
38 1 54 VAL HA 1 57 VAL MG1 4.950 . 5.450 3.534 2.022 4.137 . 0 0 "[ . 1]" 2
39 1 57 VAL MG1 1 58 CYS H 6.530 . 7.030 2.972 2.472 3.318 . 0 0 "[ . 1]" 2
40 1 57 VAL H 1 57 VAL MG1 4.360 . 4.860 3.581 2.068 3.802 . 0 0 "[ . 1]" 2
41 1 62 LYS HA 1 63 VAL MG1 5.350 . 5.850 3.942 3.756 4.070 . 0 0 "[ . 1]" 2
42 1 63 VAL MG2 1 107 ILE HB 6.430 . 6.930 4.677 4.420 4.796 . 0 0 "[ . 1]" 2
43 1 63 VAL MG2 1 74 GLN HB2 5.010 . 5.510 2.286 2.186 2.470 . 0 0 "[ . 1]" 2
44 1 63 VAL MG2 1 72 CYS HB2 5.040 . 5.540 3.388 2.305 4.020 . 0 0 "[ . 1]" 2
45 1 63 VAL MG2 1 74 GLN H 6.430 . 6.930 2.774 2.631 2.891 . 0 0 "[ . 1]" 2
46 1 63 VAL MG1 1 74 GLN HB2 3.860 . 4.360 2.226 2.108 2.322 . 0 0 "[ . 1]" 2
47 1 64 THR MG 1 66 LYS HA 6.530 . 7.030 4.669 4.378 5.169 . 0 0 "[ . 1]" 2
48 1 64 THR MG 1 68 GLY HA2 4.170 . 4.670 2.638 2.224 3.235 . 0 0 "[ . 1]" 2
49 1 70 THR MG 1 71 ASN HA 6.530 . 7.030 5.050 4.030 5.634 . 0 0 "[ . 1]" 2
50 1 72 CYS HA 1 109 ALA MB 6.530 . 7.030 3.832 3.645 4.235 . 0 0 "[ . 1]" 2
51 1 63 VAL MG2 1 73 TYR HA 5.100 . 5.600 2.904 2.626 3.487 . 0 0 "[ . 1]" 2
52 1 63 VAL MG1 1 73 TYR HA 4.760 . 5.260 3.594 3.339 3.862 . 0 0 "[ . 1]" 2
53 1 57 VAL MG1 1 75 SER HA 4.730 . 5.230 2.249 2.030 3.415 . 0 0 "[ . 1]" 2
54 1 57 VAL MG2 1 75 SER HA 5.070 . 5.570 2.165 2.113 2.201 . 0 0 "[ . 1]" 2
55 1 77 SER HA 1 78 THR MG 5.190 . 5.690 4.012 3.851 4.163 . 0 0 "[ . 1]" 2
56 1 77 SER HB2 1 78 THR MG 6.530 . 7.030 4.585 4.387 4.853 . 0 0 "[ . 1]" 2
57 1 78 THR HA 1 78 THR MG 3.490 . 3.990 2.261 2.223 2.285 . 0 0 "[ . 1]" 2
58 1 78 THR MG 1 105 HIS HD2 6.530 . 7.030 3.864 3.643 4.198 . 0 0 "[ . 1]" 2
59 1 78 THR MG 1 104 LYS H 6.530 . 7.030 3.973 3.736 4.138 . 0 0 "[ . 1]" 2
60 1 78 THR MG 1 79 MET H 5.230 . 5.730 3.738 3.647 3.841 . 0 0 "[ . 1]" 2
61 1 79 MET HG2 1 106 ILE MG 6.530 . 7.030 4.261 3.187 4.947 . 0 0 "[ . 1]" 2
62 1 83 ASP HB2 1 100 THR MG 6.160 . 6.660 4.573 3.341 4.867 . 0 0 "[ . 1]" 2
63 1 45 THR MG 1 83 ASP HB2 6.120 . 6.620 2.789 2.526 4.030 . 0 0 "[ . 1]" 2
64 1 43 VAL MG1 1 85 ARG HB2 5.410 . 5.910 3.500 2.996 4.257 . 0 0 "[ . 1]" 2
65 1 43 VAL MG1 1 85 ARG HD2 5.440 . 5.940 3.402 2.681 4.270 . 0 0 "[ . 1]" 2
66 1 86 GLU HA 1 87 THR MG 6.530 . 7.030 3.751 3.541 3.933 . 0 0 "[ . 1]" 2
67 1 90 SER HA 1 96 ALA MB 4.300 . 4.800 2.384 2.129 2.655 . 0 0 "[ . 1]" 2
68 1 90 SER H 1 96 ALA MB 5.070 . 5.570 3.176 2.803 3.472 . 0 0 "[ . 1]" 2
69 1 87 THR MG 1 98 LYS HA 6.530 . 7.030 4.257 3.531 4.905 . 0 0 "[ . 1]" 2
70 1 25 TYR QD 1 99 THR MG 5.040 . 5.540 2.679 2.286 3.023 . 0 0 "[ . 1]" 2
71 1 100 THR HA 1 100 THR MG 3.430 . 3.930 2.320 2.219 2.394 . 0 0 "[ . 1]" 2
72 1 100 THR HB 1 102 VAL MG1 5.940 . 6.440 3.979 3.322 4.648 . 0 0 "[ . 1]" 2
73 1 101 GLN HA 1 102 VAL MG1 6.530 . 7.030 4.267 4.037 4.513 . 0 0 "[ . 1]" 2
74 1 101 GLN HA 1 102 VAL MG2 6.530 . 7.030 3.846 3.570 4.171 . 0 0 "[ . 1]" 2
75 1 100 THR MG 1 102 VAL HA 6.470 . 6.970 4.898 4.660 5.138 . 0 0 "[ . 1]" 2
76 1 102 VAL MG2 1 103 GLU HA 5.290 . 5.790 4.147 3.871 4.283 . 0 0 "[ . 1]" 2
77 1 104 LYS HB2 1 106 ILE MG 6.530 . 7.030 4.538 4.149 5.028 . 0 0 "[ . 1]" 2
78 1 104 LYS HG2 1 124 VAL MG2 4.330 . 4.830 2.739 2.532 2.919 . 0 0 "[ . 1]" 2
79 1 78 THR MG 1 105 HIS HA 4.480 . 4.980 3.545 3.463 3.647 . 0 0 "[ . 1]" 2
80 1 106 ILE HB 1 108 VAL MG1 5.070 . 5.570 2.734 2.523 3.042 . 0 0 "[ . 1]" 2
81 1 106 ILE MG 1 120 PHE QE 5.320 . 5.820 2.943 2.733 3.341 . 0 0 "[ . 1]" 2
82 1 63 VAL MG2 1 107 ILE HG12 5.850 . 6.350 4.941 4.841 5.050 . 0 0 "[ . 1]" 2
83 1 63 VAL MG2 1 107 ILE MG 7.370 . 7.870 2.268 2.071 2.378 . 0 0 "[ . 1]" 2
84 1 107 ILE MG 1 108 VAL H 6.470 . 6.970 3.106 2.911 3.343 . 0 0 "[ . 1]" 2
85 1 87 THR MG 1 97 TYR HA 5.010 . 5.510 3.888 3.618 4.088 . 0 0 "[ . 1]" 2
86 1 108 VAL HA 1 109 ALA MB 5.880 . 6.380 3.784 3.673 3.890 . 0 0 "[ . 1]" 2
87 1 108 VAL HB 1 109 ALA MB 6.530 . 7.030 4.255 4.100 4.428 . 0 0 "[ . 1]" 2
88 1 106 ILE MD 1 108 VAL MG2 7.400 . 7.900 3.941 3.467 4.232 . 0 0 "[ . 1]" 2
89 1 108 VAL MG2 1 109 ALA H 6.530 . 7.030 3.288 2.945 3.655 . 0 0 "[ . 1]" 2
90 1 108 VAL MG1 1 120 PHE HB2 4.850 . 5.350 3.701 3.416 3.935 . 0 0 "[ . 1]" 2
91 1 108 VAL MG1 1 120 PHE HA 4.760 . 5.260 2.996 2.661 3.531 . 0 0 "[ . 1]" 2
92 1 108 VAL MG1 1 120 PHE HD1 6.530 . 7.030 2.785 2.271 6.027 . 0 0 "[ . 1]" 2
93 1 8 PHE HE1 1 108 VAL MG1 5.630 . 6.130 4.573 4.429 4.640 . 0 0 "[ . 1]" 2
94 1 8 PHE HZ 1 108 VAL MG1 5.100 . 5.600 3.108 2.960 3.432 . 0 0 "[ . 1]" 2
95 1 108 VAL MG1 1 109 ALA H 6.530 . 7.030 3.807 3.606 4.085 . 0 0 "[ . 1]" 2
96 1 108 VAL MG2 1 109 ALA HA 5.410 . 5.910 4.219 3.909 4.415 . 0 0 "[ . 1]" 2
97 1 108 VAL MG2 1 109 ALA MB 7.180 . 7.680 4.385 4.146 4.610 . 0 0 "[ . 1]" 2
98 1 8 PHE HE1 1 109 ALA MB 6.340 . 6.840 5.446 5.342 5.603 . 0 0 "[ . 1]" 2
99 1 110 CYS HA 1 118 VAL MG2 4.920 . 5.420 3.324 2.451 3.773 . 0 0 "[ . 1]" 2
100 1 110 CYS HA 1 118 VAL MG1 5.690 . 6.190 4.007 3.437 4.286 . 0 0 "[ . 1]" 2
101 1 109 ALA MB 1 110 CYS HA 6.530 . 7.030 4.354 4.284 4.438 . 0 0 "[ . 1]" 2
102 1 111 GLY HA2 1 118 VAL MG1 6.530 . 7.030 4.755 4.353 5.188 . 0 0 "[ . 1]" 2
103 1 111 GLY HA2 1 118 VAL MG2 5.880 . 6.380 4.485 4.055 4.901 . 0 0 "[ . 1]" 2
104 1 114 PRO HB2 1 116 VAL MG1 4.850 . 5.350 3.677 3.236 4.046 . 0 0 "[ . 1]" 2
105 1 115 SER HA 1 116 VAL MG1 4.920 . 5.420 4.039 3.999 4.102 . 0 0 "[ . 1]" 2
106 1 116 VAL MG2 1 117 PRO HA 5.440 . 5.940 4.398 4.288 4.473 . 0 0 "[ . 1]" 2
107 1 108 VAL MG2 1 117 PRO HA 4.670 . 5.170 3.527 2.948 3.880 . 0 0 "[ . 1]" 2
108 1 108 VAL MG1 1 117 PRO HB2 6.530 . 7.030 3.739 3.347 4.195 . 0 0 "[ . 1]" 2
109 1 108 VAL MG2 1 117 PRO HB2 6.530 . 7.030 2.885 2.518 3.137 . 0 0 "[ . 1]" 2
110 1 108 VAL MG2 1 117 PRO HG2 4.950 . 5.450 4.109 3.941 4.298 . 0 0 "[ . 1]" 2
111 1 116 VAL MG1 1 117 PRO HD2 4.540 . 5.040 3.570 3.400 3.714 . 0 0 "[ . 1]" 2
112 1 4 ALA MB 1 118 VAL HB 4.670 . 5.170 3.158 2.934 3.379 . 0 0 "[ . 1]" 2
113 1 109 ALA MB 1 119 HIS HA 6.220 . 6.720 3.699 3.639 3.767 . 0 0 "[ . 1]" 2
114 1 109 ALA MB 1 119 HIS HB2 4.820 . 5.320 2.631 2.156 3.009 . 0 0 "[ . 1]" 2
115 1 118 VAL MG2 1 119 HIS HB2 6.060 . 6.560 2.903 2.565 3.093 . 0 0 "[ . 1]" 2
116 1 107 ILE MG 1 121 ASP HB2 4.670 . 5.170 3.287 3.148 3.644 . 0 0 "[ . 1]" 2
117 1 107 ILE HG12 1 122 ALA MB 5.190 . 5.690 3.497 3.267 3.955 . 0 0 "[ . 1]" 2
118 1 81 ILE MD 1 123 SER HB2 4.670 . 5.170 2.935 2.206 3.402 . 0 0 "[ . 1]" 2
119 1 105 HIS HB2 1 124 VAL MG1 5.290 . 5.790 4.265 4.073 4.492 . 0 0 "[ . 1]" 2
120 1 62 LYS HA 1 63 VAL MG2 6.530 . 7.030 3.929 3.734 4.396 . 0 0 "[ . 1]" 2
121 1 106 ILE MG 1 123 SER HA 4.950 . 5.450 3.869 3.695 3.957 . 0 0 "[ . 1]" 2
122 1 55 LYS HA 1 116 VAL MG1 6.530 . 7.030 4.611 4.337 4.983 . 0 0 "[ . 1]" 2
123 1 90 SER HB2 1 96 ALA MB 4.920 . 5.420 3.736 2.763 4.266 . 0 0 "[ . 1]" 2
124 1 13 MET ME 1 50 SER HB2 5.290 . 5.790 4.511 4.357 4.805 . 0 0 "[ . 1]" 2
125 1 57 VAL MG1 1 75 SER HB2 4.260 . 4.760 3.041 2.461 3.530 . 0 0 "[ . 1]" 2
126 1 57 VAL MG2 1 75 SER HB2 4.700 . 5.200 2.521 2.171 3.596 . 0 0 "[ . 1]" 2
127 1 45 THR MG 1 81 ILE HB 4.140 . 4.640 2.660 2.085 3.886 . 0 0 "[ . 1]" 2
128 1 12 HIS HD2 1 45 THR MG 6.470 . 6.970 4.917 4.400 5.351 . 0 0 "[ . 1]" 2
129 1 45 THR MG 1 46 PHE H 4.920 . 5.420 3.031 2.442 3.322 . 0 0 "[ . 1]" 2
130 1 82 THR MG 1 99 THR HA 6.530 . 7.030 4.622 2.850 5.344 . 0 0 "[ . 1]" 2
131 1 25 TYR HE2 1 82 THR MG 6.530 . 7.030 3.588 2.715 4.425 . 0 0 "[ . 1]" 2
stop_
save_
Contact the webmaster for help, if required. Thursday, May 16, 2024 1:47:09 PM GMT (wattos1)