NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
575193 |
2rt3   |
11523 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2rt3
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 1145
_Distance_constraint_stats_list.Viol_count 3225
_Distance_constraint_stats_list.Viol_total 3603.501
_Distance_constraint_stats_list.Viol_max 0.349
_Distance_constraint_stats_list.Viol_rms 0.0294
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0079
_Distance_constraint_stats_list.Viol_average_violations_only 0.0559
_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 7 SER 0.378 0.309 20 0 "[ . 1 . 2]"
1 8 VAL 3.059 0.309 20 0 "[ . 1 . 2]"
1 9 LEU 3.351 0.268 4 0 "[ . 1 . 2]"
1 10 LEU 2.064 0.224 11 0 "[ . 1 . 2]"
1 11 ALA 0.240 0.091 19 0 "[ . 1 . 2]"
1 12 VAL 1.349 0.201 14 0 "[ . 1 . 2]"
1 13 GLN 1.585 0.321 8 0 "[ . 1 . 2]"
1 14 GLN 2.530 0.321 8 0 "[ . 1 . 2]"
1 15 SER 0.372 0.178 8 0 "[ . 1 . 2]"
1 16 GLY 0.086 0.048 4 0 "[ . 1 . 2]"
1 17 ALA 0.896 0.109 2 0 "[ . 1 . 2]"
1 18 CYS 0.928 0.216 13 0 "[ . 1 . 2]"
1 19 ARG 4.488 0.216 13 0 "[ . 1 . 2]"
1 20 ASN 3.198 0.121 5 0 "[ . 1 . 2]"
1 21 VAL 0.259 0.061 14 0 "[ . 1 . 2]"
1 22 PHE 2.434 0.119 1 0 "[ . 1 . 2]"
1 23 LEU 2.292 0.104 8 0 "[ . 1 . 2]"
1 24 GLY 0.902 0.078 1 0 "[ . 1 . 2]"
1 25 ASN 3.164 0.129 6 0 "[ . 1 . 2]"
1 26 LEU 4.247 0.152 8 0 "[ . 1 . 2]"
1 27 PRO 2.088 0.119 1 0 "[ . 1 . 2]"
1 28 ASN 2.892 0.119 1 0 "[ . 1 . 2]"
1 29 GLY 0.310 0.055 11 0 "[ . 1 . 2]"
1 30 ILE 4.029 0.104 9 0 "[ . 1 . 2]"
1 31 THR 1.747 0.105 5 0 "[ . 1 . 2]"
1 32 GLU 8.497 0.221 18 0 "[ . 1 . 2]"
1 33 ASP 4.825 0.136 17 0 "[ . 1 . 2]"
1 34 GLU 4.769 0.129 20 0 "[ . 1 . 2]"
1 35 ILE 6.363 0.119 15 0 "[ . 1 . 2]"
1 36 ARG 17.738 0.349 4 0 "[ . 1 . 2]"
1 37 GLU 12.087 0.336 18 0 "[ . 1 . 2]"
1 38 ASP 3.888 0.126 17 0 "[ . 1 . 2]"
1 39 LEU 17.657 0.349 4 0 "[ . 1 . 2]"
1 40 GLU 10.235 0.343 13 0 "[ . 1 . 2]"
1 41 PRO 10.665 0.343 13 0 "[ . 1 . 2]"
1 42 PHE 11.267 0.195 2 0 "[ . 1 . 2]"
1 43 GLY 2.317 0.127 13 0 "[ . 1 . 2]"
1 44 PRO 2.772 0.127 13 0 "[ . 1 . 2]"
1 45 ILE 5.537 0.170 12 0 "[ . 1 . 2]"
1 46 ASP 2.421 0.176 14 0 "[ . 1 . 2]"
1 47 GLN 6.540 0.176 14 0 "[ . 1 . 2]"
1 48 ILE 2.281 0.085 5 0 "[ . 1 . 2]"
1 49 LYS 1.684 0.069 13 0 "[ . 1 . 2]"
1 50 ILE 3.190 0.104 9 0 "[ . 1 . 2]"
1 51 VAL 2.910 0.085 2 0 "[ . 1 . 2]"
1 52 THR 0.055 0.055 11 0 "[ . 1 . 2]"
1 53 GLU 0.034 0.025 8 0 "[ . 1 . 2]"
1 54 ARG 0.059 0.021 19 0 "[ . 1 . 2]"
1 55 ASN 5.248 0.142 8 0 "[ . 1 . 2]"
1 56 ILE 4.086 0.142 8 0 "[ . 1 . 2]"
1 57 ALA 0.927 0.054 3 0 "[ . 1 . 2]"
1 58 PHE 2.357 0.104 8 0 "[ . 1 . 2]"
1 59 VAL 0.077 0.031 9 0 "[ . 1 . 2]"
1 60 HIS 2.303 0.102 14 0 "[ . 1 . 2]"
1 61 PHE 4.210 0.157 12 0 "[ . 1 . 2]"
1 62 LEU 1.486 0.106 5 0 "[ . 1 . 2]"
1 63 ASN 1.180 0.102 8 0 "[ . 1 . 2]"
1 64 ILE 1.324 0.102 12 0 "[ . 1 . 2]"
1 65 ALA 1.777 0.102 8 0 "[ . 1 . 2]"
1 66 ALA 0.927 0.071 14 0 "[ . 1 . 2]"
1 67 ALA 2.742 0.097 12 0 "[ . 1 . 2]"
1 68 ILE 4.046 0.078 6 0 "[ . 1 . 2]"
1 69 LYS 4.578 0.097 12 0 "[ . 1 . 2]"
1 70 ALA 1.917 0.081 8 0 "[ . 1 . 2]"
1 71 VAL 0.762 0.050 15 0 "[ . 1 . 2]"
1 72 GLN 1.517 0.066 7 0 "[ . 1 . 2]"
1 73 GLU 6.884 0.177 7 0 "[ . 1 . 2]"
1 74 LEU 5.497 0.179 18 0 "[ . 1 . 2]"
1 75 PRO 5.874 0.179 18 0 "[ . 1 . 2]"
1 76 LEU 7.682 0.219 10 0 "[ . 1 . 2]"
1 77 ASN 7.033 0.219 10 0 "[ . 1 . 2]"
1 78 PRO 7.497 0.344 7 0 "[ . 1 . 2]"
1 79 LYS 5.725 0.115 20 0 "[ . 1 . 2]"
1 80 TRP 9.576 0.140 1 0 "[ . 1 . 2]"
1 81 SER 9.997 0.344 7 0 "[ . 1 . 2]"
1 82 LYS 2.700 0.158 4 0 "[ . 1 . 2]"
1 83 ARG 8.532 0.282 5 0 "[ . 1 . 2]"
1 84 ARG 1.841 0.188 1 0 "[ . 1 . 2]"
1 85 ILE 2.363 0.136 6 0 "[ . 1 . 2]"
1 86 TYR 4.480 0.136 6 0 "[ . 1 . 2]"
1 87 TYR 4.958 0.146 11 0 "[ . 1 . 2]"
1 88 GLY 2.051 0.248 10 0 "[ . 1 . 2]"
1 89 ARG 3.002 0.248 10 0 "[ . 1 . 2]"
1 90 ASP 3.632 0.333 20 0 "[ . 1 . 2]"
1 91 ARG 2.043 0.167 19 0 "[ . 1 . 2]"
1 92 CYS 2.211 0.333 20 0 "[ . 1 . 2]"
1 93 ALA 1.425 0.225 9 0 "[ . 1 . 2]"
1 94 VAL 1.882 0.225 9 0 "[ . 1 . 2]"
1 95 GLY 0.629 0.110 5 0 "[ . 1 . 2]"
1 96 LEU 0.241 0.131 6 0 "[ . 1 . 2]"
1 97 LYS 0.131 0.131 6 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 42 PHE HD1 1 69 LYS HG2 4.260 . 4.260 4.269 4.129 4.310 0.050 12 0 "[ . 1 . 2]" 1
2 1 66 ALA HA 1 69 LYS HG2 4.030 . 4.030 2.670 2.539 2.785 . 0 0 "[ . 1 . 2]" 1
3 1 66 ALA HA 1 69 LYS HG3 4.140 . 4.140 3.366 3.278 3.466 . 0 0 "[ . 1 . 2]" 1
4 1 82 LYS HB3 1 83 ARG HD2 4.230 . 4.230 3.673 3.206 4.280 0.050 9 0 "[ . 1 . 2]" 1
5 1 80 TRP HD1 1 83 ARG HD2 5.500 . 5.500 5.330 4.961 5.524 0.024 17 0 "[ . 1 . 2]" 1
6 1 82 LYS HB2 1 83 ARG HD2 4.370 . 4.370 2.641 2.001 3.306 . 0 0 "[ . 1 . 2]" 1
7 1 54 ARG HB3 1 54 ARG HD3 4.230 . 4.230 2.623 2.460 3.059 . 0 0 "[ . 1 . 2]" 1
8 1 32 GLU HG2 1 36 ARG HD2 5.500 . 5.500 4.479 3.820 4.714 . 0 0 "[ . 1 . 2]" 1
9 1 32 GLU HG3 1 36 ARG HD2 5.500 . 5.500 5.291 4.177 5.554 0.054 7 0 "[ . 1 . 2]" 1
10 1 33 ASP HA 1 36 ARG HD2 4.530 . 4.530 4.043 3.211 4.510 . 0 0 "[ . 1 . 2]" 1
11 1 19 ARG HA 1 19 ARG HD2 5.130 . 5.130 4.615 4.265 5.034 . 0 0 "[ . 1 . 2]" 1
12 1 36 ARG HB2 1 36 ARG HD3 3.550 . 3.550 2.450 2.377 2.661 . 0 0 "[ . 1 . 2]" 1
13 1 22 PHE HE1 1 56 ILE HB 4.520 . 4.520 1.751 1.705 1.805 0.095 8 0 "[ . 1 . 2]" 1
14 1 24 GLY HA2 1 56 ILE HB 4.980 . 4.980 3.584 3.374 3.648 . 0 0 "[ . 1 . 2]" 1
15 1 51 VAL HB 1 56 ILE HB 4.510 . 4.510 4.176 4.097 4.403 . 0 0 "[ . 1 . 2]" 1
16 1 42 PHE HD1 1 69 LYS HE2 4.750 . 4.750 4.438 4.152 4.682 . 0 0 "[ . 1 . 2]" 1
17 1 42 PHE HA 1 69 LYS HE2 5.360 . 5.360 2.794 2.626 3.084 . 0 0 "[ . 1 . 2]" 1
18 1 69 LYS HB3 1 69 LYS HE2 3.960 . 3.960 3.648 3.513 3.751 . 0 0 "[ . 1 . 2]" 1
19 1 69 LYS HE2 1 69 LYS HG3 4.110 . 4.110 2.486 2.392 2.589 . 0 0 "[ . 1 . 2]" 1
20 1 49 LYS HB3 1 58 PHE HB2 4.310 . 4.310 2.341 2.067 2.543 . 0 0 "[ . 1 . 2]" 1
21 1 62 LEU HB2 1 63 ASN HB2 5.500 . 5.500 5.293 4.989 5.498 . 0 0 "[ . 1 . 2]" 1
22 1 35 ILE H 1 38 ASP HB2 4.540 . 4.540 4.613 4.549 4.659 0.119 15 0 "[ . 1 . 2]" 1
23 1 46 ASP HB3 1 62 LEU HB3 4.870 . 4.870 4.705 4.477 4.889 0.019 17 0 "[ . 1 . 2]" 1
24 1 46 ASP HB2 1 60 HIS HB3 4.700 . 4.700 4.280 3.120 4.700 . 0 0 "[ . 1 . 2]" 1
25 1 46 ASP HB2 1 62 LEU HB3 4.690 . 4.690 3.368 3.219 3.501 . 0 0 "[ . 1 . 2]" 1
26 1 22 PHE HB3 1 86 TYR HD1 4.640 . 4.640 2.996 2.713 3.253 . 0 0 "[ . 1 . 2]" 1
27 1 19 ARG HG2 1 61 PHE HB2 5.500 . 5.500 4.658 4.446 5.462 . 0 0 "[ . 1 . 2]" 1
28 1 19 ARG HG3 1 61 PHE HB2 5.500 . 5.500 5.213 4.530 5.504 0.004 20 0 "[ . 1 . 2]" 1
29 1 38 ASP HB3 1 39 LEU HG 5.500 . 5.500 4.659 4.581 4.761 . 0 0 "[ . 1 . 2]" 1
30 1 19 ARG HB3 1 61 PHE HB2 4.530 . 4.530 4.627 4.568 4.687 0.157 12 0 "[ . 1 . 2]" 1
31 1 39 LEU HB2 1 42 PHE HE1 4.550 . 4.550 4.289 4.216 4.363 . 0 0 "[ . 1 . 2]" 1
32 1 36 ARG HA 1 39 LEU HB2 4.770 . 4.770 3.411 3.247 3.564 . 0 0 "[ . 1 . 2]" 1
33 1 73 GLU HA 1 76 LEU HB3 5.010 . 5.010 4.453 4.249 4.623 . 0 0 "[ . 1 . 2]" 1
34 1 39 LEU HB2 1 41 PRO HD2 4.380 . 4.380 4.499 4.456 4.534 0.154 2 0 "[ . 1 . 2]" 1
35 1 23 LEU HG 1 85 ILE HB 4.020 . 4.020 2.474 2.245 2.656 . 0 0 "[ . 1 . 2]" 1
36 1 32 GLU HG2 1 48 ILE HB 5.500 . 5.500 2.878 2.407 3.238 . 0 0 "[ . 1 . 2]" 1
37 1 32 GLU HG3 1 48 ILE HB 5.500 . 5.500 3.329 2.752 4.005 . 0 0 "[ . 1 . 2]" 1
38 1 20 ASN HB3 1 87 TYR HD1 4.730 . 4.730 4.706 4.573 4.797 0.067 1 0 "[ . 1 . 2]" 1
39 1 32 GLU HB2 1 33 ASP HB2 4.940 . 4.940 4.305 4.218 4.473 . 0 0 "[ . 1 . 2]" 1
40 1 77 ASN HB2 1 80 TRP HB2 4.490 . 4.490 2.438 2.336 2.592 . 0 0 "[ . 1 . 2]" 1
41 1 74 LEU HA 1 77 ASN HB2 4.630 . 4.630 3.036 2.936 3.181 . 0 0 "[ . 1 . 2]" 1
42 1 77 ASN HB2 1 81 SER HB2 4.540 . 4.540 4.613 4.546 4.677 0.137 10 0 "[ . 1 . 2]" 1
43 1 77 ASN HB3 1 80 TRP HD1 4.880 . 4.880 4.980 4.944 5.020 0.140 1 0 "[ . 1 . 2]" 1
44 1 74 LEU HA 1 77 ASN HB3 4.840 . 4.840 4.586 4.477 4.796 . 0 0 "[ . 1 . 2]" 1
45 1 77 ASN HB3 1 80 TRP HB2 4.760 . 4.760 3.405 3.224 3.613 . 0 0 "[ . 1 . 2]" 1
46 1 27 PRO HD2 1 30 ILE HB 4.200 . 4.200 2.414 2.201 2.559 . 0 0 "[ . 1 . 2]" 1
47 1 27 PRO HG2 1 30 ILE HB 4.060 . 4.060 2.253 1.948 2.425 . 0 0 "[ . 1 . 2]" 1
48 1 26 LEU HA 1 30 ILE HB 5.500 . 5.500 4.887 4.733 5.034 . 0 0 "[ . 1 . 2]" 1
49 1 32 GLU HA 1 35 ILE HB 4.070 . 4.070 2.729 2.552 2.898 . 0 0 "[ . 1 . 2]" 1
50 1 25 ASN HB2 1 84 ARG HG3 4.950 . 4.950 2.807 1.753 3.191 0.047 1 0 "[ . 1 . 2]" 1
51 1 34 GLU HA 1 34 GLU HG3 3.900 . 3.900 3.123 3.014 3.768 . 0 0 "[ . 1 . 2]" 1
52 1 32 GLU HG2 1 36 ARG HD3 5.500 . 5.500 5.003 4.795 5.106 . 0 0 "[ . 1 . 2]" 1
53 1 32 GLU HG3 1 36 ARG HD3 5.500 . 5.500 5.471 5.205 5.721 0.221 18 0 "[ . 1 . 2]" 1
54 1 73 GLU HA 1 73 GLU HG3 3.810 . 3.810 3.705 3.613 3.748 . 0 0 "[ . 1 . 2]" 1
55 1 26 LEU HB3 1 55 ASN HB3 5.500 . 5.500 5.296 4.733 5.537 0.037 20 0 "[ . 1 . 2]" 1
56 1 55 ASN HB2 1 56 ILE HG13 5.500 . 5.500 5.607 5.444 5.642 0.142 8 0 "[ . 1 . 2]" 1
57 1 49 LYS HB3 1 58 PHE HD1 4.700 . 4.700 3.848 3.513 4.090 . 0 0 "[ . 1 . 2]" 1
58 1 49 LYS HB3 1 58 PHE HB3 4.730 . 4.730 3.878 3.641 4.106 . 0 0 "[ . 1 . 2]" 1
59 1 49 LYS HB2 1 58 PHE HB3 5.500 . 5.500 5.249 5.014 5.456 . 0 0 "[ . 1 . 2]" 1
60 1 49 LYS HB2 1 58 PHE HB2 4.430 . 4.430 3.956 3.700 4.165 . 0 0 "[ . 1 . 2]" 1
61 1 21 VAL HB 1 61 PHE HD1 4.100 . 4.100 2.841 2.775 2.955 . 0 0 "[ . 1 . 2]" 1
62 1 21 VAL HB 1 59 VAL HB 3.980 . 3.980 1.887 1.785 2.109 0.015 14 0 "[ . 1 . 2]" 1
63 1 59 VAL HB 1 61 PHE HD1 4.910 . 4.910 2.813 2.764 2.876 . 0 0 "[ . 1 . 2]" 1
64 1 72 GLN HA 1 72 GLN HG3 4.030 . 4.030 3.469 3.003 3.742 . 0 0 "[ . 1 . 2]" 1
65 1 69 LYS HB2 1 70 ALA HA 5.460 . 5.460 4.385 4.355 4.410 . 0 0 "[ . 1 . 2]" 1
66 1 69 LYS HB2 1 73 GLU HG3 5.500 . 5.500 3.791 3.581 4.197 . 0 0 "[ . 1 . 2]" 1
67 1 42 PHE HD1 1 69 LYS HB2 4.520 . 4.520 4.567 4.547 4.594 0.074 2 0 "[ . 1 . 2]" 1
68 1 54 ARG HB3 1 54 ARG HD2 4.230 . 4.230 3.018 2.377 3.624 . 0 0 "[ . 1 . 2]" 1
69 1 54 ARG HB3 1 56 ILE HG12 3.670 . 3.670 2.456 1.980 2.718 . 0 0 "[ . 1 . 2]" 1
70 1 8 VAL HB 1 11 ALA HA 5.500 . 5.500 2.907 1.766 5.185 0.034 4 0 "[ . 1 . 2]" 1
71 1 78 PRO HB3 1 79 LYS HD3 5.500 . 5.500 5.421 4.878 5.615 0.115 20 0 "[ . 1 . 2]" 1
72 1 77 ASN HA 1 78 PRO HB3 4.970 . 4.970 4.773 4.717 4.832 . 0 0 "[ . 1 . 2]" 1
73 1 78 PRO HB2 1 79 LYS HA 5.050 . 5.050 4.040 3.961 4.131 . 0 0 "[ . 1 . 2]" 1
74 1 42 PHE HD1 1 73 GLU HB2 4.710 . 4.710 4.655 4.581 4.742 0.032 8 0 "[ . 1 . 2]" 1
75 1 42 PHE HE1 1 73 GLU HB2 4.690 . 4.690 4.199 4.031 4.370 . 0 0 "[ . 1 . 2]" 1
76 1 80 TRP HA 1 83 ARG HB2 4.680 . 4.680 3.117 3.001 3.189 . 0 0 "[ . 1 . 2]" 1
77 1 71 VAL HB 1 85 ILE HG12 4.800 . 4.800 4.665 4.565 4.775 . 0 0 "[ . 1 . 2]" 1
78 1 39 LEU H 1 39 LEU HG 4.870 . 4.870 4.334 4.311 4.352 . 0 0 "[ . 1 . 2]" 1
79 1 39 LEU HG 1 42 PHE HD1 4.800 . 4.800 4.457 4.329 4.558 . 0 0 "[ . 1 . 2]" 1
80 1 39 LEU HG 1 42 PHE HE1 4.830 . 4.830 2.140 1.989 2.245 . 0 0 "[ . 1 . 2]" 1
81 1 47 GLN HB2 1 60 HIS HB3 3.970 . 3.970 3.972 3.741 4.046 0.076 5 0 "[ . 1 . 2]" 1
82 1 42 PHE HB2 1 69 LYS HD3 5.150 . 5.150 3.698 3.527 3.826 . 0 0 "[ . 1 . 2]" 1
83 1 19 ARG HB3 1 60 HIS HB2 5.290 . 5.290 4.134 3.861 4.365 . 0 0 "[ . 1 . 2]" 1
84 1 47 GLN HG2 1 60 HIS HB2 5.500 . 5.500 4.277 4.052 4.840 . 0 0 "[ . 1 . 2]" 1
85 1 47 GLN HB2 1 60 HIS HB2 3.910 . 3.910 2.779 2.557 2.933 . 0 0 "[ . 1 . 2]" 1
86 1 75 PRO HA 1 80 TRP HB2 5.300 . 5.300 4.481 4.321 4.633 . 0 0 "[ . 1 . 2]" 1
87 1 74 LEU HG 1 80 TRP HB2 4.770 . 4.770 3.300 3.193 3.386 . 0 0 "[ . 1 . 2]" 1
88 1 51 VAL HB 1 56 ILE HG13 3.750 . 3.750 1.793 1.735 2.076 0.065 17 0 "[ . 1 . 2]" 1
89 1 30 ILE HG13 1 34 GLU HB2 4.180 . 4.180 3.560 3.484 3.643 . 0 0 "[ . 1 . 2]" 1
90 1 35 ILE H 1 35 ILE HG12 3.820 . 3.820 3.822 3.764 3.872 0.052 16 0 "[ . 1 . 2]" 1
91 1 33 ASP HA 1 36 ARG HB2 3.870 . 3.870 2.546 2.393 2.790 . 0 0 "[ . 1 . 2]" 1
92 1 42 PHE HD1 1 69 LYS HD3 4.890 . 4.890 4.871 4.801 4.921 0.031 16 0 "[ . 1 . 2]" 1
93 1 42 PHE HA 1 69 LYS HD3 4.620 . 4.620 4.271 4.113 4.438 . 0 0 "[ . 1 . 2]" 1
94 1 66 ALA HA 1 69 LYS HD2 4.430 . 4.430 3.512 3.374 3.636 . 0 0 "[ . 1 . 2]" 1
95 1 79 LYS HD3 1 80 TRP HD1 4.750 . 4.750 4.771 4.750 4.804 0.054 14 0 "[ . 1 . 2]" 1
96 1 30 ILE HA 1 30 ILE HG12 3.960 . 3.960 3.770 3.751 3.789 . 0 0 "[ . 1 . 2]" 1
97 1 30 ILE HG12 1 34 GLU HB2 4.750 . 4.750 4.703 4.623 4.790 0.040 17 0 "[ . 1 . 2]" 1
98 1 30 ILE HG12 1 35 ILE HG12 3.990 . 3.990 4.004 3.951 4.041 0.051 12 0 "[ . 1 . 2]" 1
99 1 19 ARG HG3 1 64 ILE HA 4.450 . 4.450 4.399 4.130 4.546 0.096 17 0 "[ . 1 . 2]" 1
100 1 18 CYS H 1 19 ARG HG3 5.500 . 5.500 5.106 4.853 5.716 0.216 13 0 "[ . 1 . 2]" 1
101 1 69 LYS HA 1 72 GLN HB3 4.300 . 4.300 4.049 3.901 4.196 . 0 0 "[ . 1 . 2]" 1
102 1 64 ILE HA 1 64 ILE HG13 4.060 . 4.060 3.639 3.611 3.685 . 0 0 "[ . 1 . 2]" 1
103 1 35 ILE HG13 1 80 TRP HD1 5.500 . 5.500 5.535 5.417 5.603 0.103 11 0 "[ . 1 . 2]" 1
104 1 82 LYS HA 1 82 LYS HD2 5.000 . 5.000 4.667 4.639 4.694 . 0 0 "[ . 1 . 2]" 1
105 1 65 ALA HA 1 68 ILE HG12 5.080 . 5.080 3.802 3.693 3.883 . 0 0 "[ . 1 . 2]" 1
106 1 40 GLU HB3 1 41 PRO HD3 4.220 . 4.220 3.955 3.699 4.226 0.006 11 0 "[ . 1 . 2]" 1
107 1 40 GLU HB3 1 44 PRO HB3 4.350 . 4.350 3.981 3.507 4.417 0.067 18 0 "[ . 1 . 2]" 1
108 1 40 GLU HB2 1 41 PRO HD3 4.200 . 4.200 2.819 2.564 3.060 . 0 0 "[ . 1 . 2]" 1
109 1 44 PRO HG2 1 45 ILE HA 5.500 . 5.500 5.299 5.180 5.365 . 0 0 "[ . 1 . 2]" 1
110 1 43 GLY HA2 1 44 PRO HG2 4.810 . 4.810 4.075 3.998 4.166 . 0 0 "[ . 1 . 2]" 1
111 1 43 GLY HA2 1 44 PRO HG3 5.280 . 5.280 4.474 4.457 4.499 . 0 0 "[ . 1 . 2]" 1
112 1 26 LEU HB2 1 27 PRO HG2 5.390 . 5.390 5.113 5.008 5.276 . 0 0 "[ . 1 . 2]" 1
113 1 26 LEU HB3 1 27 PRO HG2 5.000 . 5.000 3.940 3.701 4.055 . 0 0 "[ . 1 . 2]" 1
114 1 27 PRO HG2 1 30 ILE HG12 5.500 . 5.500 4.509 4.038 4.715 . 0 0 "[ . 1 . 2]" 1
115 1 26 LEU HG 1 83 ARG HG3 3.700 . 3.700 2.598 1.918 3.046 . 0 0 "[ . 1 . 2]" 1
116 1 25 ASN HB2 1 84 ARG HG2 4.660 . 4.660 2.262 1.766 3.498 0.034 2 0 "[ . 1 . 2]" 1
117 1 45 ILE HG12 1 61 PHE HD1 4.090 . 4.090 4.111 4.094 4.137 0.047 14 0 "[ . 1 . 2]" 1
118 1 23 LEU HG 1 74 LEU HG 5.500 . 5.500 5.368 5.111 5.506 0.006 7 0 "[ . 1 . 2]" 1
119 1 83 ARG HA 1 84 ARG HG2 4.120 . 4.120 3.838 3.535 4.280 0.160 11 0 "[ . 1 . 2]" 1
120 1 36 ARG HA 1 45 ILE HG12 4.670 . 4.670 4.576 4.376 4.681 0.011 4 0 "[ . 1 . 2]" 1
121 1 54 ARG H 1 56 ILE HG12 4.230 . 4.230 3.864 3.669 4.251 0.021 19 0 "[ . 1 . 2]" 1
122 1 24 GLY HA2 1 56 ILE HG12 4.840 . 4.840 4.818 4.710 4.910 0.070 1 0 "[ . 1 . 2]" 1
123 1 62 LEU HA 1 62 LEU HG 4.250 . 4.250 3.650 3.629 3.683 . 0 0 "[ . 1 . 2]" 1
124 1 74 LEU HB2 1 85 ILE HG12 4.660 . 4.660 4.299 4.150 4.467 . 0 0 "[ . 1 . 2]" 1
125 1 85 ILE HA 1 85 ILE HG12 3.960 . 3.960 3.485 3.429 3.526 . 0 0 "[ . 1 . 2]" 1
126 1 30 ILE HG12 1 50 ILE HG13 5.500 . 5.500 5.581 5.547 5.604 0.104 9 0 "[ . 1 . 2]" 1
127 1 42 PHE HD1 1 73 GLU HG3 5.500 . 5.500 5.074 4.696 5.418 . 0 0 "[ . 1 . 2]" 1
128 1 35 ILE HA 1 35 ILE HG13 3.790 . 3.790 2.416 2.363 2.494 . 0 0 "[ . 1 . 2]" 1
129 1 35 ILE HA 1 80 TRP HD1 5.460 . 5.460 5.255 5.070 5.429 . 0 0 "[ . 1 . 2]" 1
130 1 71 VAL HA 1 75 PRO HD3 4.890 . 4.890 3.594 3.487 3.702 . 0 0 "[ . 1 . 2]" 1
131 1 41 PRO HA 1 42 PHE HA 4.720 . 4.720 4.500 4.488 4.515 . 0 0 "[ . 1 . 2]" 1
132 1 19 ARG HA 1 64 ILE HA 4.750 . 4.750 4.765 4.617 4.852 0.102 12 0 "[ . 1 . 2]" 1
133 1 64 ILE HA 1 64 ILE HG12 3.810 . 3.810 2.407 2.361 2.474 . 0 0 "[ . 1 . 2]" 1
134 1 64 ILE HA 1 68 ILE HG13 4.690 . 4.690 4.330 4.258 4.415 . 0 0 "[ . 1 . 2]" 1
135 1 68 ILE HA 1 71 VAL HB 4.320 . 4.320 3.210 3.054 3.328 . 0 0 "[ . 1 . 2]" 1
136 1 68 ILE HA 1 68 ILE HG12 3.990 . 3.990 2.470 2.328 2.554 . 0 0 "[ . 1 . 2]" 1
137 1 68 ILE HA 1 68 ILE HG13 3.950 . 3.950 3.274 3.236 3.313 . 0 0 "[ . 1 . 2]" 1
138 1 8 VAL HA 1 9 LEU HB2 4.770 . 4.770 4.489 4.143 4.770 0.000 14 0 "[ . 1 . 2]" 1
139 1 81 SER HB3 1 82 LYS HG3 5.050 . 5.050 3.810 3.502 4.018 . 0 0 "[ . 1 . 2]" 1
140 1 81 SER HB3 1 82 LYS HG2 5.050 . 5.050 4.586 4.128 4.791 . 0 0 "[ . 1 . 2]" 1
141 1 21 VAL HA 1 87 TYR HD1 4.800 . 4.800 4.258 4.051 4.523 . 0 0 "[ . 1 . 2]" 1
142 1 21 VAL HA 1 87 TYR HA 3.780 . 3.780 2.785 2.416 3.024 . 0 0 "[ . 1 . 2]" 1
143 1 75 PRO HA 1 81 SER HA 4.320 . 4.320 2.198 1.929 2.494 . 0 0 "[ . 1 . 2]" 1
144 1 81 SER HA 1 81 SER HB2 3.010 . 3.010 2.491 2.458 2.543 . 0 0 "[ . 1 . 2]" 1
145 1 75 PRO HB2 1 81 SER HA 5.450 . 5.450 4.696 4.429 5.033 . 0 0 "[ . 1 . 2]" 1
146 1 75 PRO HB3 1 81 SER HA 5.450 . 5.450 4.149 3.818 4.447 . 0 0 "[ . 1 . 2]" 1
147 1 30 ILE HA 1 34 GLU HB2 5.200 . 5.200 4.439 4.216 4.594 . 0 0 "[ . 1 . 2]" 1
148 1 27 PRO HG2 1 30 ILE HA 4.490 . 4.490 3.757 3.456 3.990 . 0 0 "[ . 1 . 2]" 1
149 1 30 ILE HA 1 30 ILE HB 3.000 . 3.000 2.424 2.400 2.442 . 0 0 "[ . 1 . 2]" 1
150 1 30 ILE HA 1 30 ILE HG13 3.250 . 3.250 2.855 2.795 2.910 . 0 0 "[ . 1 . 2]" 1
151 1 50 ILE HA 1 50 ILE HG13 3.960 . 3.960 2.799 2.769 2.840 . 0 0 "[ . 1 . 2]" 1
152 1 36 ARG HA 1 36 ARG HG3 3.990 . 3.990 2.625 2.548 2.723 . 0 0 "[ . 1 . 2]" 1
153 1 48 ILE HA 1 59 VAL HA 3.740 . 3.740 2.302 2.232 2.368 . 0 0 "[ . 1 . 2]" 1
154 1 47 GLN HB3 1 48 ILE HA 4.420 . 4.420 4.419 4.352 4.456 0.036 8 0 "[ . 1 . 2]" 1
155 1 45 ILE HA 1 45 ILE HG12 4.020 . 4.020 3.592 3.532 3.620 . 0 0 "[ . 1 . 2]" 1
156 1 45 ILE HA 1 45 ILE HG13 4.040 . 4.040 2.580 2.497 2.625 . 0 0 "[ . 1 . 2]" 1
157 1 45 ILE HA 1 61 PHE HD1 5.060 . 5.060 5.061 4.980 5.097 0.037 2 0 "[ . 1 . 2]" 1
158 1 32 GLU HA 1 32 GLU HG2 3.690 . 3.690 3.719 3.620 3.773 0.083 19 0 "[ . 1 . 2]" 1
159 1 32 GLU HA 1 36 ARG HG2 5.500 . 5.500 5.493 5.156 5.604 0.104 2 0 "[ . 1 . 2]" 1
160 1 32 GLU HA 1 48 ILE HB 5.500 . 5.500 3.995 3.690 4.236 . 0 0 "[ . 1 . 2]" 1
161 1 23 LEU HG 1 85 ILE HA 3.900 . 3.900 2.995 2.614 3.319 . 0 0 "[ . 1 . 2]" 1
162 1 40 GLU HA 1 45 ILE HG12 5.500 . 5.500 5.445 5.274 5.544 0.044 13 0 "[ . 1 . 2]" 1
163 1 40 GLU HA 1 44 PRO HB3 4.090 . 4.090 4.097 3.954 4.164 0.074 7 0 "[ . 1 . 2]" 1
164 1 42 PHE HA 1 42 PHE HD1 4.230 . 4.230 4.186 4.144 4.234 0.004 1 0 "[ . 1 . 2]" 1
165 1 74 LEU HA 1 80 TRP HB2 4.220 . 4.220 2.437 2.321 2.571 . 0 0 "[ . 1 . 2]" 1
166 1 74 LEU HA 1 80 TRP HB3 4.360 . 4.360 2.739 2.659 2.851 . 0 0 "[ . 1 . 2]" 1
167 1 73 GLU HB3 1 74 LEU HA 4.960 . 4.960 4.362 4.208 4.571 . 0 0 "[ . 1 . 2]" 1
168 1 61 PHE HA 1 61 PHE HD1 3.780 . 3.780 3.527 3.472 3.582 . 0 0 "[ . 1 . 2]" 1
169 1 45 ILE HG12 1 61 PHE HA 4.530 . 4.530 4.300 4.229 4.366 . 0 0 "[ . 1 . 2]" 1
170 1 45 ILE HG13 1 61 PHE HA 4.540 . 4.540 3.333 3.243 3.436 . 0 0 "[ . 1 . 2]" 1
171 1 36 ARG HB2 1 37 GLU HA 5.500 . 5.500 4.380 4.339 4.447 . 0 0 "[ . 1 . 2]" 1
172 1 69 LYS HA 1 69 LYS HG2 3.650 . 3.650 3.585 3.568 3.602 . 0 0 "[ . 1 . 2]" 1
173 1 69 LYS HA 1 73 GLU HG2 4.670 . 4.670 3.600 3.332 3.808 . 0 0 "[ . 1 . 2]" 1
174 1 69 LYS HA 1 72 GLN HB2 3.750 . 3.750 2.442 2.308 2.576 . 0 0 "[ . 1 . 2]" 1
175 1 34 GLU HA 1 37 GLU HB3 4.580 . 4.580 4.440 4.225 4.639 0.059 4 0 "[ . 1 . 2]" 1
176 1 53 GLU HA 1 53 GLU HG3 3.870 . 3.870 2.845 2.498 3.730 . 0 0 "[ . 1 . 2]" 1
177 1 45 ILE HA 1 61 PHE HA 3.380 . 3.380 2.352 2.267 2.438 . 0 0 "[ . 1 . 2]" 1
178 1 87 TYR HA 1 87 TYR HD1 3.760 . 3.760 2.518 2.078 2.664 . 0 0 "[ . 1 . 2]" 1
179 1 24 GLY HA2 1 56 ILE HA 3.750 . 3.750 2.123 1.953 2.263 . 0 0 "[ . 1 . 2]" 1
180 1 23 LEU HB3 1 56 ILE HA 4.320 . 4.320 4.197 4.043 4.286 . 0 0 "[ . 1 . 2]" 1
181 1 26 LEU HG 1 56 ILE HA 4.690 . 4.690 4.348 4.104 4.609 . 0 0 "[ . 1 . 2]" 1
182 1 79 LYS HA 1 79 LYS HG3 3.720 . 3.720 2.627 2.555 2.707 . 0 0 "[ . 1 . 2]" 1
183 1 79 LYS HA 1 79 LYS HG2 3.960 . 3.960 3.316 3.099 3.611 . 0 0 "[ . 1 . 2]" 1
184 1 19 ARG HA 1 61 PHE HB2 4.840 . 4.840 2.437 2.393 2.480 . 0 0 "[ . 1 . 2]" 1
185 1 72 GLN HA 1 72 GLN HG2 4.030 . 4.030 2.723 2.343 3.200 . 0 0 "[ . 1 . 2]" 1
186 1 80 TRP HA 1 83 ARG HD3 3.370 . 3.370 2.365 2.043 2.731 . 0 0 "[ . 1 . 2]" 1
187 1 33 ASP HA 1 36 ARG H 4.320 . 4.320 3.844 3.661 4.147 . 0 0 "[ . 1 . 2]" 1
188 1 33 ASP HA 1 36 ARG HD3 4.510 . 4.510 2.411 1.970 3.589 . 0 0 "[ . 1 . 2]" 1
189 1 33 ASP HA 1 36 ARG HB3 5.140 . 5.140 3.996 3.842 4.266 . 0 0 "[ . 1 . 2]" 1
190 1 33 ASP HA 1 36 ARG HG2 5.490 . 5.490 4.847 4.536 5.290 . 0 0 "[ . 1 . 2]" 1
191 1 18 CYS HA 1 19 ARG HG3 5.250 . 5.250 3.980 3.805 4.271 . 0 0 "[ . 1 . 2]" 1
192 1 18 CYS HA 1 64 ILE HB 5.500 . 5.500 3.762 3.532 4.264 . 0 0 "[ . 1 . 2]" 1
193 1 18 CYS HA 1 64 ILE HG13 4.840 . 4.840 3.714 3.512 3.935 . 0 0 "[ . 1 . 2]" 1
194 1 18 CYS HA 1 64 ILE HG12 4.720 . 4.720 1.972 1.776 2.204 0.024 16 0 "[ . 1 . 2]" 1
195 1 47 GLN HA 1 47 GLN HG3 3.800 . 3.800 2.424 2.279 2.530 . 0 0 "[ . 1 . 2]" 1
196 1 58 PHE HA 1 58 PHE HD1 4.250 . 4.250 3.565 3.500 3.665 . 0 0 "[ . 1 . 2]" 1
197 1 22 PHE HA 1 58 PHE HA 4.000 . 4.000 2.677 2.618 2.757 . 0 0 "[ . 1 . 2]" 1
198 1 22 PHE HA 1 58 PHE HD1 5.300 . 5.300 5.303 5.251 5.338 0.038 3 0 "[ . 1 . 2]" 1
199 1 22 PHE HA 1 22 PHE HD1 4.320 . 4.320 1.969 1.919 2.097 . 0 0 "[ . 1 . 2]" 1
200 1 22 PHE HA 1 22 PHE HE1 4.740 . 4.740 4.416 4.361 4.503 . 0 0 "[ . 1 . 2]" 1
201 1 39 LEU HA 1 42 PHE HD1 3.890 . 3.890 3.866 3.803 3.913 0.023 5 0 "[ . 1 . 2]" 1
202 1 39 LEU HA 1 42 PHE HE1 4.710 . 4.710 2.444 2.407 2.502 . 0 0 "[ . 1 . 2]" 1
203 1 14 GLN HA 1 14 GLN HG3 4.180 . 4.180 3.319 2.814 3.813 . 0 0 "[ . 1 . 2]" 1
204 1 89 ARG HA 1 89 ARG HD3 4.630 . 4.630 3.958 1.828 4.733 0.103 3 0 "[ . 1 . 2]" 1
205 1 83 ARG HA 1 83 ARG HG3 3.300 . 3.300 2.422 2.220 2.554 . 0 0 "[ . 1 . 2]" 1
206 1 25 ASN HB3 1 83 ARG HA 3.670 . 3.670 1.832 1.757 1.957 0.043 18 0 "[ . 1 . 2]" 1
207 1 25 ASN HB2 1 83 ARG HA 3.750 . 3.750 3.465 3.343 3.579 . 0 0 "[ . 1 . 2]" 1
208 1 8 VAL HB 1 9 LEU HA 5.500 . 5.500 5.044 4.574 5.620 0.120 17 0 "[ . 1 . 2]" 1
209 1 8 VAL HB 1 10 LEU HA 5.500 . 5.500 5.480 4.142 5.724 0.224 11 0 "[ . 1 . 2]" 1
210 1 60 HIS HA 1 60 HIS HD2 4.200 . 4.200 2.395 2.171 3.011 . 0 0 "[ . 1 . 2]" 1
211 1 37 GLU HB3 1 38 ASP HA 5.500 . 5.500 5.589 5.540 5.626 0.126 17 0 "[ . 1 . 2]" 1
212 1 55 ASN HA 1 56 ILE HG13 4.990 . 4.990 4.923 4.732 5.012 0.022 8 0 "[ . 1 . 2]" 1
213 1 65 ALA HA 1 68 ILE HB 3.620 . 3.620 2.698 2.430 2.816 . 0 0 "[ . 1 . 2]" 1
214 1 84 ARG HA 1 84 ARG HD2 4.550 . 4.550 3.430 2.082 4.104 . 0 0 "[ . 1 . 2]" 1
215 1 84 ARG HA 1 84 ARG HD3 4.550 . 4.550 2.791 1.792 4.694 0.144 1 0 "[ . 1 . 2]" 1
216 1 54 ARG HA 1 54 ARG HG3 3.760 . 3.760 3.166 3.056 3.765 0.005 8 0 "[ . 1 . 2]" 1
217 1 54 ARG HA 1 56 ILE HG12 4.640 . 4.640 4.190 3.892 4.602 . 0 0 "[ . 1 . 2]" 1
218 1 49 LYS HA 1 49 LYS HG3 3.940 . 3.940 2.584 2.502 2.659 . 0 0 "[ . 1 . 2]" 1
219 1 61 PHE HD1 1 67 ALA HA 4.280 . 4.280 3.819 3.740 3.913 . 0 0 "[ . 1 . 2]" 1
220 1 66 ALA HA 1 69 LYS HD3 3.560 . 3.560 2.296 2.234 2.357 . 0 0 "[ . 1 . 2]" 1
221 1 20 ASN HA 1 60 HIS HB3 5.500 . 5.500 5.537 5.445 5.602 0.102 14 0 "[ . 1 . 2]" 1
222 1 20 ASN HA 1 60 HIS HD2 4.340 . 4.340 2.932 2.602 3.383 . 0 0 "[ . 1 . 2]" 1
223 1 20 ASN HA 1 60 HIS HA 3.810 . 3.810 3.637 3.492 3.746 . 0 0 "[ . 1 . 2]" 1
224 1 26 LEU HA 1 83 ARG HG3 4.790 . 4.790 1.996 1.749 2.262 0.051 11 0 "[ . 1 . 2]" 1
225 1 75 PRO HD3 1 85 ILE HG12 5.110 . 5.110 4.066 3.919 4.376 . 0 0 "[ . 1 . 2]" 1
226 1 74 LEU HB2 1 75 PRO HD3 4.130 . 4.130 2.465 2.421 2.513 . 0 0 "[ . 1 . 2]" 1
227 1 74 LEU HB3 1 75 PRO HD3 3.980 . 3.980 2.691 2.547 2.828 . 0 0 "[ . 1 . 2]" 1
228 1 39 LEU HA 1 41 PRO HD3 4.920 . 4.920 4.502 4.392 4.564 . 0 0 "[ . 1 . 2]" 1
229 1 41 PRO HD2 1 42 PHE HD1 5.010 . 5.010 5.099 5.085 5.112 0.102 14 0 "[ . 1 . 2]" 1
230 1 39 LEU HA 1 41 PRO HD2 4.630 . 4.630 2.806 2.702 2.865 . 0 0 "[ . 1 . 2]" 1
231 1 62 LEU HB2 1 63 ASN HA 4.680 . 4.680 4.221 4.141 4.289 . 0 0 "[ . 1 . 2]" 1
232 1 77 ASN HA 1 78 PRO HD3 3.140 . 3.140 2.245 2.177 2.298 . 0 0 "[ . 1 . 2]" 1
233 1 77 ASN HB3 1 78 PRO HD3 4.770 . 4.770 3.482 3.385 3.563 . 0 0 "[ . 1 . 2]" 1
234 1 77 ASN HA 1 78 PRO HD2 3.180 . 3.180 2.553 2.441 2.650 . 0 0 "[ . 1 . 2]" 1
235 1 78 PRO HD2 1 79 LYS HD2 4.830 . 4.830 4.458 3.356 4.895 0.065 5 0 "[ . 1 . 2]" 1
236 1 50 ILE HA 1 57 ALA HA 3.290 . 3.290 2.152 2.041 2.227 . 0 0 "[ . 1 . 2]" 1
237 1 43 GLY HA2 1 44 PRO HD3 3.580 . 3.580 2.717 2.578 2.851 . 0 0 "[ . 1 . 2]" 1
238 1 26 LEU HB3 1 27 PRO HD2 4.390 . 4.390 1.899 1.787 1.967 0.013 13 0 "[ . 1 . 2]" 1
239 1 26 LEU HA 1 27 PRO HD2 3.460 . 3.460 2.637 2.511 2.745 . 0 0 "[ . 1 . 2]" 1
240 1 26 LEU HB2 1 27 PRO HD2 3.910 . 3.910 3.376 3.265 3.502 . 0 0 "[ . 1 . 2]" 1
241 1 27 PRO HD3 1 83 ARG HD3 5.180 . 5.180 4.420 3.720 4.838 . 0 0 "[ . 1 . 2]" 1
242 1 27 PRO HD3 1 30 ILE HB 4.850 . 4.850 4.032 3.833 4.172 . 0 0 "[ . 1 . 2]" 1
243 1 26 LEU HA 1 27 PRO HD3 3.300 . 3.300 2.306 2.220 2.419 . 0 0 "[ . 1 . 2]" 1
244 1 26 LEU HB2 1 27 PRO HD3 4.700 . 4.700 4.405 4.279 4.612 . 0 0 "[ . 1 . 2]" 1
245 1 25 ASN HA 1 55 ASN HB2 4.590 . 4.590 3.661 3.260 4.014 . 0 0 "[ . 1 . 2]" 1
246 1 86 TYR HA 1 86 TYR HD1 4.220 . 4.220 4.028 3.850 4.125 . 0 0 "[ . 1 . 2]" 1
247 1 73 GLU HA 1 75 PRO HD2 4.620 . 4.620 3.444 3.393 3.516 . 0 0 "[ . 1 . 2]" 1
248 1 73 GLU HA 1 73 GLU HG2 3.900 . 3.900 3.035 2.900 3.156 . 0 0 "[ . 1 . 2]" 1
249 1 73 GLU HA 1 76 LEU HB2 4.770 . 4.770 2.941 2.834 3.066 . 0 0 "[ . 1 . 2]" 1
250 1 73 GLU HA 1 76 LEU HG 4.010 . 4.010 2.928 2.449 3.374 . 0 0 "[ . 1 . 2]" 1
251 1 74 LEU HA 1 74 LEU HG 3.870 . 3.870 2.773 2.744 2.824 . 0 0 "[ . 1 . 2]" 1
252 1 31 THR HA 1 31 THR HB 2.900 . 2.900 2.487 2.446 2.545 . 0 0 "[ . 1 . 2]" 1
253 1 14 GLN HA 1 14 GLN HG2 4.180 . 4.180 2.988 2.481 4.214 0.034 18 0 "[ . 1 . 2]" 1
254 1 80 TRP HA 1 83 ARG HB3 4.760 . 4.760 4.783 4.698 4.832 0.072 9 0 "[ . 1 . 2]" 1
255 1 19 ARG HA 1 19 ARG HG2 4.100 . 4.100 2.768 2.642 3.383 . 0 0 "[ . 1 . 2]" 1
256 1 79 LYS HB2 1 80 TRP HA 4.680 . 4.680 3.980 3.877 4.159 . 0 0 "[ . 1 . 2]" 1
257 1 19 ARG HA 1 19 ARG HD3 5.130 . 5.130 4.817 4.513 5.021 . 0 0 "[ . 1 . 2]" 1
258 1 23 LEU HA 1 23 LEU HG 4.090 . 4.090 2.276 2.211 2.309 . 0 0 "[ . 1 . 2]" 1
259 1 26 LEU HA 1 27 PRO HG2 4.810 . 4.810 4.686 4.621 4.766 . 0 0 "[ . 1 . 2]" 1
260 1 26 LEU HA 1 27 PRO HG3 5.160 . 5.160 4.533 4.457 4.594 . 0 0 "[ . 1 . 2]" 1
261 1 32 GLU HA 1 32 GLU HG3 3.690 . 3.690 2.609 2.524 2.739 . 0 0 "[ . 1 . 2]" 1
262 1 35 ILE HA 1 35 ILE HG12 4.070 . 4.070 2.841 2.779 2.884 . 0 0 "[ . 1 . 2]" 1
263 1 37 GLU HA 1 40 GLU HB2 4.210 . 4.210 3.199 2.963 3.410 . 0 0 "[ . 1 . 2]" 1
264 1 47 GLN HA 1 47 GLN HG2 4.050 . 4.050 2.790 2.572 3.008 . 0 0 "[ . 1 . 2]" 1
265 1 47 GLN HB3 1 60 HIS HB3 4.820 . 4.820 3.489 3.336 3.938 . 0 0 "[ . 1 . 2]" 1
266 1 47 GLN HB3 1 60 HIS HB2 4.510 . 4.510 1.867 1.744 2.450 0.056 7 0 "[ . 1 . 2]" 1
267 1 84 ARG HA 1 84 ARG HG2 3.580 . 3.580 2.997 2.446 3.197 . 0 0 "[ . 1 . 2]" 1
268 1 49 LYS HB3 1 49 LYS HD2 3.660 . 3.660 3.018 2.455 3.713 0.053 13 0 "[ . 1 . 2]" 1
269 1 49 LYS HB3 1 49 LYS HD3 3.660 . 3.660 2.745 2.454 3.707 0.047 18 0 "[ . 1 . 2]" 1
270 1 53 GLU HA 1 53 GLU HG2 3.870 . 3.870 3.202 2.314 3.741 . 0 0 "[ . 1 . 2]" 1
271 1 54 ARG HA 1 54 ARG HD3 4.970 . 4.970 4.296 2.108 4.683 . 0 0 "[ . 1 . 2]" 1
272 1 54 ARG HA 1 54 ARG HG2 3.760 . 3.760 2.612 2.461 2.912 . 0 0 "[ . 1 . 2]" 1
273 1 56 ILE HA 1 56 ILE HG12 4.030 . 4.030 3.870 3.771 4.100 0.070 19 0 "[ . 1 . 2]" 1
274 1 19 ARG HG2 1 62 LEU HA 3.840 . 3.840 2.100 1.878 2.319 . 0 0 "[ . 1 . 2]" 1
275 1 68 ILE HB 1 68 ILE HG12 2.960 . 2.960 3.009 2.986 3.017 0.057 7 0 "[ . 1 . 2]" 1
276 1 76 LEU HA 1 76 LEU HG 3.600 . 3.600 3.241 3.183 3.299 . 0 0 "[ . 1 . 2]" 1
277 1 79 LYS HA 1 79 LYS HD3 4.270 . 4.270 4.233 3.953 4.363 0.093 17 0 "[ . 1 . 2]" 1
278 1 79 LYS HB2 1 79 LYS HD3 3.060 . 3.060 2.415 2.253 2.552 . 0 0 "[ . 1 . 2]" 1
279 1 82 LYS HA 1 82 LYS HD3 4.170 . 4.170 4.259 4.188 4.328 0.158 4 0 "[ . 1 . 2]" 1
280 1 83 ARG HA 1 83 ARG HG2 3.920 . 3.920 3.647 3.431 3.747 . 0 0 "[ . 1 . 2]" 1
281 1 26 LEU HG 1 83 ARG HA 4.600 . 4.600 4.173 3.865 4.533 . 0 0 "[ . 1 . 2]" 1
282 1 82 LYS HB2 1 82 LYS HD3 3.050 . 3.050 3.067 3.037 3.121 0.071 6 0 "[ . 1 . 2]" 1
283 1 82 LYS HB3 1 82 LYS HD3 2.950 . 2.950 2.428 2.344 2.492 . 0 0 "[ . 1 . 2]" 1
284 1 83 ARG HA 1 83 ARG HD2 4.390 . 4.390 3.322 2.934 4.195 . 0 0 "[ . 1 . 2]" 1
285 1 83 ARG HA 1 83 ARG HD3 3.840 . 3.840 3.727 3.397 4.122 0.282 5 0 "[ . 1 . 2]" 1
286 1 83 ARG HB2 1 83 ARG HD2 3.640 . 3.640 3.265 2.766 3.581 . 0 0 "[ . 1 . 2]" 1
287 1 83 ARG HB2 1 83 ARG HD3 4.100 . 4.100 2.354 2.275 2.443 . 0 0 "[ . 1 . 2]" 1
288 1 83 ARG HB3 1 83 ARG HD2 4.060 . 4.060 3.925 3.672 4.187 0.127 9 0 "[ . 1 . 2]" 1
289 1 84 ARG HB3 1 84 ARG HG3 2.950 . 2.950 2.511 2.406 2.982 0.032 1 0 "[ . 1 . 2]" 1
290 1 89 ARG HA 1 89 ARG HD2 4.630 . 4.630 4.249 2.844 4.741 0.111 9 0 "[ . 1 . 2]" 1
291 1 19 ARG HB3 1 19 ARG HD3 4.180 . 4.180 3.485 2.810 3.879 . 0 0 "[ . 1 . 2]" 1
292 1 82 LYS HB2 1 82 LYS HD2 3.010 . 3.010 2.520 2.388 2.606 . 0 0 "[ . 1 . 2]" 1
293 1 19 ARG HB3 1 19 ARG HD2 4.180 . 4.180 3.120 2.421 3.922 . 0 0 "[ . 1 . 2]" 1
294 1 23 LEU HB3 1 23 LEU HG 2.920 . 2.920 2.648 2.613 2.709 . 0 0 "[ . 1 . 2]" 1
295 1 34 GLU HA 1 34 GLU HG2 3.900 . 3.900 2.618 2.538 3.055 . 0 0 "[ . 1 . 2]" 1
296 1 36 ARG HB2 1 36 ARG HD2 3.650 . 3.650 3.575 2.616 3.655 0.005 15 0 "[ . 1 . 2]" 1
297 1 36 ARG HB3 1 36 ARG HD3 4.140 . 4.140 3.246 2.644 3.406 . 0 0 "[ . 1 . 2]" 1
298 1 69 LYS HB3 1 69 LYS HD2 2.400 . 2.400 2.301 2.274 2.345 . 0 0 "[ . 1 . 2]" 1
299 1 69 LYS HB2 1 69 LYS HE2 4.680 . 4.680 3.089 2.942 3.238 . 0 0 "[ . 1 . 2]" 1
300 1 82 LYS HB2 1 83 ARG HD3 4.320 . 4.320 3.105 2.541 3.574 . 0 0 "[ . 1 . 2]" 1
301 1 83 ARG HB3 1 83 ARG HD3 3.690 . 3.690 3.575 3.532 3.632 . 0 0 "[ . 1 . 2]" 1
302 1 26 LEU HA 1 83 ARG HD2 4.050 . 4.050 3.237 2.673 4.077 0.027 16 0 "[ . 1 . 2]" 1
303 1 84 ARG HB2 1 84 ARG HD2 4.210 . 4.210 3.880 3.078 4.225 0.015 9 0 "[ . 1 . 2]" 1
304 1 84 ARG HB2 1 84 ARG HD3 4.210 . 4.210 3.698 3.549 4.228 0.018 16 0 "[ . 1 . 2]" 1
305 1 84 ARG HB2 1 84 ARG HG2 2.780 . 2.780 2.518 2.419 2.968 0.188 1 0 "[ . 1 . 2]" 1
306 1 25 ASN HB3 1 84 ARG HG2 4.410 . 4.410 2.735 2.401 3.704 . 0 0 "[ . 1 . 2]" 1
307 1 84 ARG HB2 1 84 ARG HG3 2.550 . 2.550 2.381 2.282 2.449 . 0 0 "[ . 1 . 2]" 1
308 1 43 GLY HA2 1 44 PRO HD2 3.440 . 3.440 1.916 1.876 1.973 . 0 0 "[ . 1 . 2]" 1
309 1 26 LEU HB2 1 55 ASN HB3 4.460 . 4.460 3.911 3.355 4.212 . 0 0 "[ . 1 . 2]" 1
310 1 26 LEU HB3 1 27 PRO HD3 4.450 . 4.450 3.180 3.065 3.337 . 0 0 "[ . 1 . 2]" 1
311 1 26 LEU HB3 1 83 ARG HD3 5.500 . 5.500 5.602 5.575 5.652 0.152 8 0 "[ . 1 . 2]" 1
312 1 70 ALA HA 1 74 LEU HB2 4.800 . 4.800 4.827 4.786 4.857 0.057 12 0 "[ . 1 . 2]" 1
313 1 74 LEU HB2 1 75 PRO HD2 4.900 . 4.900 2.945 2.881 3.022 . 0 0 "[ . 1 . 2]" 1
314 1 74 LEU HB3 1 75 PRO HD2 4.900 . 4.900 3.602 3.491 3.707 . 0 0 "[ . 1 . 2]" 1
315 1 54 ARG HA 1 54 ARG HD2 4.970 . 4.970 4.600 3.163 4.760 . 0 0 "[ . 1 . 2]" 1
316 1 50 ILE HA 1 50 ILE HG12 3.910 . 3.910 2.645 2.587 2.749 . 0 0 "[ . 1 . 2]" 1
317 1 69 LYS HE3 1 69 LYS HG3 3.970 . 3.970 3.045 2.954 3.146 . 0 0 "[ . 1 . 2]" 1
318 1 69 LYS HB3 1 69 LYS HE3 3.670 . 3.670 2.474 2.308 2.613 . 0 0 "[ . 1 . 2]" 1
319 1 69 LYS HB2 1 69 LYS HE3 3.560 . 3.560 2.409 2.285 2.585 . 0 0 "[ . 1 . 2]" 1
320 1 42 PHE HA 1 69 LYS HE3 4.940 . 4.940 4.482 4.287 4.822 . 0 0 "[ . 1 . 2]" 1
321 1 69 LYS HA 1 69 LYS HE3 4.690 . 4.690 4.532 4.405 4.664 . 0 0 "[ . 1 . 2]" 1
322 1 26 LEU HA 1 26 LEU HG 4.260 . 4.260 2.713 2.625 2.818 . 0 0 "[ . 1 . 2]" 1
323 1 20 ASN HB2 1 87 TYR HD1 4.180 . 4.180 4.127 3.745 4.295 0.115 15 0 "[ . 1 . 2]" 1
324 1 71 VAL HB 1 87 TYR HE1 4.780 . 4.780 3.552 3.238 3.845 . 0 0 "[ . 1 . 2]" 1
325 1 68 ILE HG12 1 87 TYR HE1 4.730 . 4.730 2.982 2.602 3.309 . 0 0 "[ . 1 . 2]" 1
326 1 68 ILE HG13 1 87 TYR HE1 5.080 . 5.080 4.057 3.761 4.352 . 0 0 "[ . 1 . 2]" 1
327 1 68 ILE HA 1 87 TYR HE1 4.070 . 4.070 2.485 2.288 2.663 . 0 0 "[ . 1 . 2]" 1
328 1 87 TYR HB3 1 87 TYR HE1 5.050 . 5.050 4.763 4.711 4.945 . 0 0 "[ . 1 . 2]" 1
329 1 22 PHE HB3 1 86 TYR HE1 5.060 . 5.060 2.493 1.919 2.856 . 0 0 "[ . 1 . 2]" 1
330 1 22 PHE HB2 1 86 TYR HE1 5.060 . 5.060 3.493 3.161 3.728 . 0 0 "[ . 1 . 2]" 1
331 1 17 ALA HA 1 87 TYR HD1 5.500 . 5.500 5.407 4.958 5.547 0.047 10 0 "[ . 1 . 2]" 1
332 1 68 ILE HG12 1 87 TYR HD1 5.500 . 5.500 5.077 4.720 5.312 . 0 0 "[ . 1 . 2]" 1
333 1 86 TYR HB2 1 86 TYR HE1 5.370 . 5.370 4.797 4.752 4.914 . 0 0 "[ . 1 . 2]" 1
334 1 19 ARG HB2 1 60 HIS HD2 4.810 . 4.810 4.102 2.678 4.845 0.035 7 0 "[ . 1 . 2]" 1
335 1 19 ARG HB3 1 60 HIS HD2 4.940 . 4.940 3.830 2.509 4.505 . 0 0 "[ . 1 . 2]" 1
336 1 20 ASN HB3 1 60 HIS HD2 5.500 . 5.500 5.296 5.014 5.539 0.039 10 0 "[ . 1 . 2]" 1
337 1 19 ARG HA 1 61 PHE HD1 5.240 . 5.240 3.946 3.774 4.089 . 0 0 "[ . 1 . 2]" 1
338 1 45 ILE HG13 1 61 PHE HD1 5.270 . 5.270 4.297 4.230 4.337 . 0 0 "[ . 1 . 2]" 1
339 1 22 PHE HD1 1 56 ILE HB 5.320 . 5.320 3.905 3.767 4.075 . 0 0 "[ . 1 . 2]" 1
340 1 22 PHE HD1 1 58 PHE HA 5.450 . 5.450 2.943 2.737 3.083 . 0 0 "[ . 1 . 2]" 1
341 1 22 PHE HD1 1 58 PHE HE1 4.720 . 4.720 4.431 4.168 4.715 . 0 0 "[ . 1 . 2]" 1
342 1 79 LYS HG2 1 80 TRP HD1 5.500 . 5.500 5.178 4.861 5.545 0.045 20 0 "[ . 1 . 2]" 1
343 1 79 LYS HB2 1 80 TRP HD1 3.890 . 3.890 2.703 2.499 2.939 . 0 0 "[ . 1 . 2]" 1
344 1 79 LYS HB3 1 80 TRP HD1 4.380 . 4.380 3.409 3.262 3.668 . 0 0 "[ . 1 . 2]" 1
345 1 80 TRP HA 1 80 TRP HD1 4.690 . 4.690 2.436 2.381 2.475 . 0 0 "[ . 1 . 2]" 1
346 1 87 TYR HB3 1 87 TYR HD1 3.740 . 3.740 2.598 2.515 2.895 . 0 0 "[ . 1 . 2]" 1
347 1 22 PHE HB2 1 86 TYR HD1 4.890 . 4.890 4.190 3.942 4.410 . 0 0 "[ . 1 . 2]" 1
348 1 42 PHE HB2 1 42 PHE HE1 4.840 . 4.840 4.732 4.713 4.752 . 0 0 "[ . 1 . 2]" 1
349 1 61 PHE HB2 1 61 PHE HD1 3.690 . 3.690 2.585 2.539 2.615 . 0 0 "[ . 1 . 2]" 1
350 1 80 TRP HB2 1 83 ARG HB2 5.120 . 5.120 5.171 5.087 5.247 0.127 16 0 "[ . 1 . 2]" 1
351 1 80 TRP HB2 1 83 ARG HD3 5.410 . 5.410 5.220 4.969 5.483 0.073 13 0 "[ . 1 . 2]" 1
352 1 74 LEU HG 1 80 TRP HB3 5.060 . 5.060 1.847 1.783 1.945 0.017 16 0 "[ . 1 . 2]" 1
353 1 42 PHE HD1 1 69 LYS HG3 4.100 . 4.100 2.994 2.944 3.042 . 0 0 "[ . 1 . 2]" 1
354 1 41 PRO HG2 1 42 PHE HD1 5.500 . 5.500 4.890 4.809 4.943 . 0 0 "[ . 1 . 2]" 1
355 1 39 LEU HB3 1 42 PHE HD1 4.650 . 4.650 4.220 4.144 4.294 . 0 0 "[ . 1 . 2]" 1
356 1 42 PHE HD1 1 70 ALA HA 3.990 . 3.990 2.692 2.644 2.743 . 0 0 "[ . 1 . 2]" 1
357 1 42 PHE HD1 1 73 GLU HG2 5.500 . 5.500 5.523 5.479 5.563 0.063 7 0 "[ . 1 . 2]" 1
358 1 78 PRO HD3 1 79 LYS H 3.910 . 3.910 3.868 3.817 3.939 0.029 6 0 "[ . 1 . 2]" 1
359 1 81 SER H 1 82 LYS H 3.340 . 3.340 2.626 2.578 2.697 . 0 0 "[ . 1 . 2]" 1
360 1 80 TRP HA 1 82 LYS H 3.900 . 3.900 3.694 3.559 3.863 . 0 0 "[ . 1 . 2]" 1
361 1 82 LYS H 1 82 LYS HB3 3.640 . 3.640 3.598 3.564 3.641 0.001 6 0 "[ . 1 . 2]" 1
362 1 82 LYS H 1 82 LYS HB2 3.000 . 3.000 2.478 2.418 2.555 . 0 0 "[ . 1 . 2]" 1
363 1 82 LYS H 1 82 LYS HG3 3.610 . 3.610 2.289 2.041 2.481 . 0 0 "[ . 1 . 2]" 1
364 1 82 LYS H 1 82 LYS HG2 3.610 . 3.610 3.416 3.225 3.529 . 0 0 "[ . 1 . 2]" 1
365 1 80 TRP H 1 80 TRP HD1 3.200 . 3.200 3.040 2.953 3.124 . 0 0 "[ . 1 . 2]" 1
366 1 80 TRP H 1 80 TRP HB3 3.690 . 3.690 3.595 3.590 3.604 . 0 0 "[ . 1 . 2]" 1
367 1 80 TRP H 1 80 TRP HB2 2.960 . 2.960 2.612 2.571 2.639 . 0 0 "[ . 1 . 2]" 1
368 1 77 ASN HB3 1 80 TRP H 4.010 . 4.010 2.858 2.736 2.946 . 0 0 "[ . 1 . 2]" 1
369 1 79 LYS HB3 1 80 TRP H 3.660 . 3.660 3.680 3.641 3.731 0.071 1 0 "[ . 1 . 2]" 1
370 1 79 LYS HB2 1 80 TRP H 3.520 . 3.520 2.472 2.423 2.526 . 0 0 "[ . 1 . 2]" 1
371 1 95 GLY H 1 96 LEU H 4.060 . 4.060 3.274 1.910 4.170 0.110 5 0 "[ . 1 . 2]" 1
372 1 7 SER HA 1 8 VAL H 3.150 . 3.150 2.598 2.100 3.459 0.309 20 0 "[ . 1 . 2]" 1
373 1 9 LEU HA 1 10 LEU H 3.210 . 3.210 2.596 2.153 3.380 0.170 14 0 "[ . 1 . 2]" 1
374 1 8 VAL H 1 8 VAL HB 3.950 . 3.950 3.693 3.578 3.975 0.025 10 0 "[ . 1 . 2]" 1
375 1 8 VAL HA 1 9 LEU H 2.920 . 2.920 2.327 2.100 3.188 0.268 4 0 "[ . 1 . 2]" 1
376 1 8 VAL HB 1 9 LEU H 4.070 . 4.070 3.731 2.792 4.220 0.150 2 0 "[ . 1 . 2]" 1
377 1 8 VAL HB 1 11 ALA H 4.430 . 4.430 2.814 2.565 3.793 . 0 0 "[ . 1 . 2]" 1
378 1 9 LEU H 1 9 LEU HB2 3.050 . 3.050 2.551 2.302 3.085 0.035 16 0 "[ . 1 . 2]" 1
379 1 11 ALA HA 1 12 VAL H 3.530 . 3.530 3.118 2.823 3.508 . 0 0 "[ . 1 . 2]" 1
380 1 12 VAL H 1 13 GLN H 3.350 . 3.350 2.452 2.252 2.712 . 0 0 "[ . 1 . 2]" 1
381 1 11 ALA HA 1 13 GLN H 3.680 . 3.680 3.347 2.944 3.771 0.091 19 0 "[ . 1 . 2]" 1
382 1 12 VAL HA 1 13 GLN H 3.570 . 3.570 3.300 2.989 3.463 . 0 0 "[ . 1 . 2]" 1
383 1 13 GLN HA 1 14 GLN H 2.980 . 2.980 2.573 2.042 3.230 0.250 15 0 "[ . 1 . 2]" 1
384 1 14 GLN H 1 14 GLN HB3 3.830 . 3.830 3.625 2.643 3.997 0.167 12 0 "[ . 1 . 2]" 1
385 1 14 GLN H 1 14 GLN HB2 3.830 . 3.830 3.032 2.428 3.982 0.152 18 0 "[ . 1 . 2]" 1
386 1 15 SER HA 1 16 GLY H 3.560 . 3.560 2.961 2.139 3.573 0.013 12 0 "[ . 1 . 2]" 1
387 1 17 ALA HA 1 18 CYS H 3.030 . 3.030 2.187 2.140 2.324 . 0 0 "[ . 1 . 2]" 1
388 1 18 CYS HA 1 19 ARG H 3.030 . 3.030 2.261 2.171 2.335 . 0 0 "[ . 1 . 2]" 1
389 1 19 ARG H 1 19 ARG HB3 4.070 . 4.070 3.935 3.880 3.974 . 0 0 "[ . 1 . 2]" 1
390 1 19 ARG H 1 19 ARG HG3 3.430 . 3.430 2.674 2.431 2.900 . 0 0 "[ . 1 . 2]" 1
391 1 19 ARG H 1 19 ARG HB2 3.950 . 3.950 3.652 3.587 3.705 . 0 0 "[ . 1 . 2]" 1
392 1 19 ARG H 1 20 ASN H 3.280 . 3.280 2.987 2.895 3.112 . 0 0 "[ . 1 . 2]" 1
393 1 18 CYS HA 1 20 ASN H 3.850 . 3.850 3.416 3.242 3.537 . 0 0 "[ . 1 . 2]" 1
394 1 19 ARG HA 1 20 ASN H 3.510 . 3.510 3.251 3.119 3.381 . 0 0 "[ . 1 . 2]" 1
395 1 20 ASN H 1 20 ASN HB2 3.020 . 3.020 2.403 2.344 2.458 . 0 0 "[ . 1 . 2]" 1
396 1 20 ASN H 1 20 ASN HB3 3.910 . 3.910 3.620 3.583 3.669 . 0 0 "[ . 1 . 2]" 1
397 1 71 VAL H 1 71 VAL HB 2.640 . 2.640 2.400 2.365 2.436 . 0 0 "[ . 1 . 2]" 1
398 1 20 ASN HA 1 21 VAL H 2.650 . 2.650 2.104 2.069 2.142 . 0 0 "[ . 1 . 2]" 1
399 1 21 VAL H 1 60 HIS HA 3.870 . 3.870 3.651 3.529 3.781 . 0 0 "[ . 1 . 2]" 1
400 1 20 ASN HB3 1 21 VAL H 3.820 . 3.820 3.750 3.704 3.783 . 0 0 "[ . 1 . 2]" 1
401 1 21 VAL H 1 21 VAL HB 3.070 . 3.070 2.764 2.728 2.814 . 0 0 "[ . 1 . 2]" 1
402 1 21 VAL H 1 59 VAL HB 4.670 . 4.670 3.881 3.644 4.151 . 0 0 "[ . 1 . 2]" 1
403 1 22 PHE H 1 86 TYR H 3.410 . 3.410 2.908 2.825 3.035 . 0 0 "[ . 1 . 2]" 1
404 1 22 PHE H 1 22 PHE HD1 4.640 . 4.640 4.649 4.589 4.759 0.119 1 0 "[ . 1 . 2]" 1
405 1 21 VAL HA 1 22 PHE H 2.650 . 2.650 2.155 2.139 2.176 . 0 0 "[ . 1 . 2]" 1
406 1 22 PHE H 1 22 PHE HB3 3.090 . 3.090 2.620 2.537 2.721 . 0 0 "[ . 1 . 2]" 1
407 1 22 PHE H 1 22 PHE HB2 3.200 . 3.200 2.976 2.853 3.078 . 0 0 "[ . 1 . 2]" 1
408 1 21 VAL HB 1 22 PHE H 4.600 . 4.600 4.252 4.144 4.341 . 0 0 "[ . 1 . 2]" 1
409 1 23 LEU H 1 58 PHE HA 3.860 . 3.860 3.506 3.406 3.626 . 0 0 "[ . 1 . 2]" 1
410 1 22 PHE HA 1 23 LEU H 2.610 . 2.610 2.136 2.122 2.164 . 0 0 "[ . 1 . 2]" 1
411 1 22 PHE HB3 1 23 LEU H 4.460 . 4.460 4.213 4.144 4.272 . 0 0 "[ . 1 . 2]" 1
412 1 22 PHE HB2 1 23 LEU H 4.360 . 4.360 4.290 4.185 4.360 0.000 7 0 "[ . 1 . 2]" 1
413 1 23 LEU H 1 23 LEU HB2 3.240 . 3.240 2.419 2.396 2.450 . 0 0 "[ . 1 . 2]" 1
414 1 23 LEU H 1 23 LEU HG 3.940 . 3.940 3.851 3.776 3.933 . 0 0 "[ . 1 . 2]" 1
415 1 23 LEU H 1 23 LEU HB3 3.790 . 3.790 3.633 3.614 3.657 . 0 0 "[ . 1 . 2]" 1
416 1 23 LEU HA 1 24 GLY H 2.640 . 2.640 2.165 2.119 2.195 . 0 0 "[ . 1 . 2]" 1
417 1 24 GLY H 1 84 ARG HB3 4.360 . 4.360 4.099 3.698 4.362 0.002 9 0 "[ . 1 . 2]" 1
418 1 24 GLY H 1 84 ARG HB2 3.290 . 3.290 2.876 2.617 3.098 . 0 0 "[ . 1 . 2]" 1
419 1 23 LEU HB3 1 24 GLY H 3.640 . 3.640 3.227 3.099 3.537 . 0 0 "[ . 1 . 2]" 1
420 1 24 GLY H 1 84 ARG HA 4.690 . 4.690 4.572 4.406 4.675 . 0 0 "[ . 1 . 2]" 1
421 1 25 ASN H 1 56 ILE HA 3.900 . 3.900 3.334 3.255 3.420 . 0 0 "[ . 1 . 2]" 1
422 1 25 ASN H 1 25 ASN HA 2.780 . 2.780 2.771 2.729 2.792 0.012 5 0 "[ . 1 . 2]" 1
423 1 25 ASN H 1 25 ASN HB3 3.810 . 3.810 3.461 3.361 3.535 . 0 0 "[ . 1 . 2]" 1
424 1 25 ASN H 1 25 ASN HB2 3.680 . 3.680 3.384 3.320 3.456 . 0 0 "[ . 1 . 2]" 1
425 1 25 ASN H 1 26 LEU H 2.910 . 2.910 2.034 1.874 2.294 . 0 0 "[ . 1 . 2]" 1
426 1 26 LEU H 1 56 ILE HA 4.080 . 4.080 3.889 3.786 3.982 . 0 0 "[ . 1 . 2]" 1
427 1 24 GLY HA2 1 26 LEU H 4.160 . 4.160 3.970 3.807 4.189 0.029 6 0 "[ . 1 . 2]" 1
428 1 25 ASN HA 1 26 LEU H 2.820 . 2.820 2.756 2.623 2.845 0.025 14 0 "[ . 1 . 2]" 1
429 1 26 LEU H 1 55 ASN HB3 3.270 . 3.270 2.493 2.227 2.692 . 0 0 "[ . 1 . 2]" 1
430 1 26 LEU H 1 55 ASN HB2 4.130 . 4.130 3.854 3.573 4.010 . 0 0 "[ . 1 . 2]" 1
431 1 26 LEU H 1 26 LEU HG 2.690 . 2.690 2.608 2.453 2.731 0.041 19 0 "[ . 1 . 2]" 1
432 1 26 LEU H 1 26 LEU HB2 3.250 . 3.250 2.623 2.480 2.720 . 0 0 "[ . 1 . 2]" 1
433 1 27 PRO HA 1 28 ASN H 2.550 . 2.550 2.344 2.214 2.418 . 0 0 "[ . 1 . 2]" 1
434 1 27 PRO HB2 1 28 ASN H 3.370 . 3.370 2.689 2.539 2.951 . 0 0 "[ . 1 . 2]" 1
435 1 27 PRO HG2 1 28 ASN H 4.540 . 4.540 4.367 4.231 4.584 0.044 9 0 "[ . 1 . 2]" 1
436 1 27 PRO HB3 1 28 ASN H 3.610 . 3.610 3.589 3.494 3.671 0.061 3 0 "[ . 1 . 2]" 1
437 1 29 GLY H 1 30 ILE H 3.120 . 3.120 2.324 2.182 2.431 . 0 0 "[ . 1 . 2]" 1
438 1 28 ASN HA 1 29 GLY H 2.630 . 2.630 2.140 2.103 2.180 . 0 0 "[ . 1 . 2]" 1
439 1 29 GLY H 1 29 GLY HA3 2.930 . 2.930 2.942 2.911 2.950 0.020 11 0 "[ . 1 . 2]" 1
440 1 28 ASN HA 1 30 ILE H 3.630 . 3.630 3.368 3.259 3.466 . 0 0 "[ . 1 . 2]" 1
441 1 30 ILE H 1 30 ILE HA 2.840 . 2.840 2.809 2.794 2.844 0.004 15 0 "[ . 1 . 2]" 1
442 1 29 GLY HA3 1 30 ILE H 3.410 . 3.410 3.227 3.170 3.296 . 0 0 "[ . 1 . 2]" 1
443 1 27 PRO HG2 1 30 ILE H 3.900 . 3.900 3.515 3.355 3.713 . 0 0 "[ . 1 . 2]" 1
444 1 30 ILE H 1 30 ILE HB 2.620 . 2.620 2.573 2.542 2.619 . 0 0 "[ . 1 . 2]" 1
445 1 30 ILE HA 1 31 THR H 2.450 . 2.450 2.156 2.135 2.174 . 0 0 "[ . 1 . 2]" 1
446 1 30 ILE HG13 1 31 THR H 2.880 . 2.880 2.704 2.630 2.805 . 0 0 "[ . 1 . 2]" 1
447 1 68 ILE HA 1 72 GLN H 4.410 . 4.410 4.390 4.337 4.454 0.044 14 0 "[ . 1 . 2]" 1
448 1 69 LYS HA 1 72 GLN H 3.540 . 3.540 3.406 3.315 3.487 . 0 0 "[ . 1 . 2]" 1
449 1 72 GLN H 1 72 GLN HG3 3.930 . 3.930 3.361 2.571 3.920 . 0 0 "[ . 1 . 2]" 1
450 1 72 GLN H 1 73 GLU HG2 4.590 . 4.590 4.267 4.127 4.473 . 0 0 "[ . 1 . 2]" 1
451 1 72 GLN H 1 72 GLN HG2 3.930 . 3.930 3.036 2.422 3.815 . 0 0 "[ . 1 . 2]" 1
452 1 72 GLN H 1 72 GLN HB2 2.820 . 2.820 2.375 2.325 2.461 . 0 0 "[ . 1 . 2]" 1
453 1 72 GLN H 1 72 GLN HB3 3.750 . 3.750 3.599 3.577 3.616 . 0 0 "[ . 1 . 2]" 1
454 1 71 VAL HB 1 72 GLN H 3.290 . 3.290 3.082 3.010 3.125 . 0 0 "[ . 1 . 2]" 1
455 1 31 THR HA 1 32 GLU H 2.640 . 2.640 2.322 2.271 2.383 . 0 0 "[ . 1 . 2]" 1
456 1 32 GLU H 1 32 GLU HA 2.880 . 2.880 2.806 2.786 2.816 . 0 0 "[ . 1 . 2]" 1
457 1 32 GLU H 1 32 GLU HG2 3.620 . 3.620 3.648 3.513 3.729 0.109 18 0 "[ . 1 . 2]" 1
458 1 32 GLU H 1 32 GLU HG3 3.620 . 3.620 2.852 2.432 3.140 . 0 0 "[ . 1 . 2]" 1
459 1 32 GLU H 1 32 GLU HB2 2.920 . 2.920 2.684 2.576 2.847 . 0 0 "[ . 1 . 2]" 1
460 1 32 GLU H 1 32 GLU HB3 3.620 . 3.620 3.590 3.559 3.606 . 0 0 "[ . 1 . 2]" 1
461 1 32 GLU H 1 33 ASP H 2.880 . 2.880 2.603 2.564 2.674 . 0 0 "[ . 1 . 2]" 1
462 1 33 ASP H 1 33 ASP HA 2.800 . 2.800 2.751 2.690 2.779 . 0 0 "[ . 1 . 2]" 1
463 1 33 ASP H 1 33 ASP HB3 3.330 . 3.330 2.700 2.602 2.780 . 0 0 "[ . 1 . 2]" 1
464 1 33 ASP H 1 33 ASP HB2 2.660 . 2.660 2.325 2.259 2.391 . 0 0 "[ . 1 . 2]" 1
465 1 32 GLU HB2 1 33 ASP H 3.130 . 3.130 2.600 2.385 2.695 . 0 0 "[ . 1 . 2]" 1
466 1 33 ASP H 1 36 ARG HB2 4.600 . 4.600 4.643 4.443 4.686 0.086 10 0 "[ . 1 . 2]" 1
467 1 34 GLU H 1 36 ARG H 4.260 . 4.260 4.003 3.941 4.077 . 0 0 "[ . 1 . 2]" 1
468 1 33 ASP H 1 34 GLU H 2.900 . 2.900 2.782 2.696 2.937 0.037 18 0 "[ . 1 . 2]" 1
469 1 33 ASP HA 1 34 GLU H 3.520 . 3.520 3.501 3.488 3.518 . 0 0 "[ . 1 . 2]" 1
470 1 34 GLU H 1 34 GLU HA 2.890 . 2.890 2.852 2.835 2.870 . 0 0 "[ . 1 . 2]" 1
471 1 32 GLU HA 1 34 GLU H 4.020 . 4.020 4.022 3.924 4.074 0.054 19 0 "[ . 1 . 2]" 1
472 1 33 ASP HB3 1 34 GLU H 3.380 . 3.380 2.642 2.542 2.732 . 0 0 "[ . 1 . 2]" 1
473 1 33 ASP HB2 1 34 GLU H 3.700 . 3.700 3.790 3.759 3.819 0.119 9 0 "[ . 1 . 2]" 1
474 1 34 GLU H 1 34 GLU HB2 2.610 . 2.610 2.472 2.454 2.498 . 0 0 "[ . 1 . 2]" 1
475 1 32 GLU HB2 1 34 GLU H 4.850 . 4.850 4.938 4.898 4.979 0.129 20 0 "[ . 1 . 2]" 1
476 1 35 ILE H 1 35 ILE HA 2.930 . 2.930 2.802 2.787 2.819 . 0 0 "[ . 1 . 2]" 1
477 1 32 GLU HA 1 35 ILE H 3.370 . 3.370 3.360 3.232 3.410 0.040 16 0 "[ . 1 . 2]" 1
478 1 34 GLU HB2 1 35 ILE H 3.110 . 3.110 2.227 2.169 2.312 . 0 0 "[ . 1 . 2]" 1
479 1 35 ILE H 1 35 ILE HB 2.580 . 2.580 2.379 2.334 2.419 . 0 0 "[ . 1 . 2]" 1
480 1 35 ILE H 1 35 ILE HG13 3.210 . 3.210 2.397 2.302 2.473 . 0 0 "[ . 1 . 2]" 1
481 1 35 ILE H 1 36 ARG H 2.810 . 2.810 2.754 2.713 2.782 . 0 0 "[ . 1 . 2]" 1
482 1 32 GLU HA 1 36 ARG H 3.780 . 3.780 3.602 3.408 3.726 . 0 0 "[ . 1 . 2]" 1
483 1 36 ARG H 1 36 ARG HA 2.910 . 2.910 2.765 2.749 2.778 . 0 0 "[ . 1 . 2]" 1
484 1 36 ARG H 1 36 ARG HB2 2.510 . 2.510 2.353 2.319 2.387 . 0 0 "[ . 1 . 2]" 1
485 1 36 ARG H 1 36 ARG HB3 3.900 . 3.900 3.557 3.541 3.571 . 0 0 "[ . 1 . 2]" 1
486 1 36 ARG H 1 36 ARG HG2 4.290 . 4.290 3.683 3.559 3.742 . 0 0 "[ . 1 . 2]" 1
487 1 36 ARG H 1 36 ARG HG3 3.540 . 3.540 2.319 2.216 2.373 . 0 0 "[ . 1 . 2]" 1
488 1 36 ARG HG3 1 37 GLU H 4.350 . 4.350 4.308 4.262 4.351 0.001 18 0 "[ . 1 . 2]" 1
489 1 36 ARG H 1 37 GLU H 3.100 . 3.100 3.006 2.962 3.051 . 0 0 "[ . 1 . 2]" 1
490 1 37 GLU H 1 39 LEU H 4.200 . 4.200 4.252 4.228 4.270 0.070 19 0 "[ . 1 . 2]" 1
491 1 35 ILE H 1 37 GLU H 4.780 . 4.780 4.630 4.570 4.690 . 0 0 "[ . 1 . 2]" 1
492 1 37 GLU H 1 38 ASP H 2.920 . 2.920 2.683 2.658 2.706 . 0 0 "[ . 1 . 2]" 1
493 1 61 PHE HA 1 62 LEU H 2.690 . 2.690 2.133 2.113 2.158 . 0 0 "[ . 1 . 2]" 1
494 1 45 ILE HA 1 62 LEU H 3.280 . 3.280 2.902 2.786 3.019 . 0 0 "[ . 1 . 2]" 1
495 1 33 ASP HA 1 37 GLU H 3.720 . 3.720 3.761 3.659 3.856 0.136 17 0 "[ . 1 . 2]" 1
496 1 37 GLU H 1 37 GLU HA 2.870 . 2.870 2.792 2.780 2.805 . 0 0 "[ . 1 . 2]" 1
497 1 61 PHE HB3 1 62 LEU H 4.170 . 4.170 3.748 3.678 3.814 . 0 0 "[ . 1 . 2]" 1
498 1 46 ASP HB2 1 62 LEU H 3.910 . 3.910 3.908 3.765 3.966 0.056 4 0 "[ . 1 . 2]" 1
499 1 37 GLU H 1 37 GLU HB3 2.720 . 2.720 2.499 2.412 2.556 . 0 0 "[ . 1 . 2]" 1
500 1 36 ARG HB2 1 37 GLU H 2.790 . 2.790 2.189 2.151 2.247 . 0 0 "[ . 1 . 2]" 1
501 1 62 LEU H 1 62 LEU HG 2.750 . 2.750 2.329 2.249 2.408 . 0 0 "[ . 1 . 2]" 1
502 1 35 ILE HA 1 38 ASP H 3.710 . 3.710 3.545 3.449 3.627 . 0 0 "[ . 1 . 2]" 1
503 1 36 ARG HA 1 38 ASP H 4.500 . 4.500 3.970 3.908 4.025 . 0 0 "[ . 1 . 2]" 1
504 1 38 ASP H 1 41 PRO HD3 5.000 . 5.000 4.866 4.692 4.996 . 0 0 "[ . 1 . 2]" 1
505 1 38 ASP H 1 38 ASP HB2 2.900 . 2.900 2.201 2.159 2.245 . 0 0 "[ . 1 . 2]" 1
506 1 38 ASP H 1 38 ASP HB3 3.570 . 3.570 3.471 3.435 3.522 . 0 0 "[ . 1 . 2]" 1
507 1 38 ASP H 1 39 LEU HB2 4.450 . 4.450 4.409 4.362 4.456 0.006 18 0 "[ . 1 . 2]" 1
508 1 54 ARG H 1 55 ASN HA 4.350 . 4.350 4.270 4.119 4.371 0.021 6 0 "[ . 1 . 2]" 1
509 1 53 GLU HA 1 54 ARG H 3.570 . 3.570 3.496 3.414 3.541 . 0 0 "[ . 1 . 2]" 1
510 1 51 VAL HB 1 54 ARG H 3.890 . 3.890 3.509 3.410 3.573 . 0 0 "[ . 1 . 2]" 1
511 1 54 ARG H 1 54 ARG HB2 3.100 . 3.100 2.608 2.509 2.711 . 0 0 "[ . 1 . 2]" 1
512 1 38 ASP H 1 39 LEU H 2.720 . 2.720 2.365 2.319 2.408 . 0 0 "[ . 1 . 2]" 1
513 1 36 ARG HA 1 39 LEU H 3.950 . 3.950 3.401 3.307 3.499 . 0 0 "[ . 1 . 2]" 1
514 1 39 LEU H 1 41 PRO HD3 4.250 . 4.250 4.043 3.944 4.138 . 0 0 "[ . 1 . 2]" 1
515 1 39 LEU H 1 41 PRO HD2 3.990 . 3.990 3.252 3.166 3.349 . 0 0 "[ . 1 . 2]" 1
516 1 38 ASP HB2 1 39 LEU H 3.510 . 3.510 3.176 3.049 3.271 . 0 0 "[ . 1 . 2]" 1
517 1 38 ASP HB3 1 39 LEU H 3.720 . 3.720 3.597 3.520 3.699 . 0 0 "[ . 1 . 2]" 1
518 1 39 LEU H 1 39 LEU HB3 3.690 . 3.690 3.605 3.590 3.624 . 0 0 "[ . 1 . 2]" 1
519 1 39 LEU H 1 39 LEU HB2 2.710 . 2.710 2.370 2.351 2.398 . 0 0 "[ . 1 . 2]" 1
520 1 39 LEU H 1 40 GLU H 2.750 . 2.750 2.112 2.092 2.124 . 0 0 "[ . 1 . 2]" 1
521 1 38 ASP H 1 40 GLU H 3.940 . 3.940 3.805 3.721 3.874 . 0 0 "[ . 1 . 2]" 1
522 1 37 GLU HA 1 40 GLU H 3.980 . 3.980 3.855 3.716 3.953 . 0 0 "[ . 1 . 2]" 1
523 1 40 GLU H 1 41 PRO HD3 2.780 . 2.780 2.710 2.677 2.735 . 0 0 "[ . 1 . 2]" 1
524 1 40 GLU H 1 41 PRO HD2 3.150 . 3.150 2.154 2.109 2.210 . 0 0 "[ . 1 . 2]" 1
525 1 40 GLU H 1 40 GLU HB3 3.540 . 3.540 3.563 3.532 3.583 0.043 10 0 "[ . 1 . 2]" 1
526 1 40 GLU H 1 40 GLU HB2 3.110 . 3.110 2.317 2.257 2.360 . 0 0 "[ . 1 . 2]" 1
527 1 39 LEU HB3 1 40 GLU H 4.470 . 4.470 3.905 3.851 3.975 . 0 0 "[ . 1 . 2]" 1
528 1 40 GLU H 1 41 PRO HG3 4.720 . 4.720 4.525 4.489 4.560 . 0 0 "[ . 1 . 2]" 1
529 1 39 LEU HB2 1 40 GLU H 3.710 . 3.710 3.323 3.265 3.405 . 0 0 "[ . 1 . 2]" 1
530 1 42 PHE H 1 42 PHE HD1 3.420 . 3.420 3.399 3.373 3.427 0.007 7 0 "[ . 1 . 2]" 1
531 1 42 PHE H 1 42 PHE HE1 4.520 . 4.520 4.531 4.502 4.548 0.028 20 0 "[ . 1 . 2]" 1
532 1 39 LEU HA 1 42 PHE H 3.890 . 3.890 3.838 3.757 3.905 0.015 1 0 "[ . 1 . 2]" 1
533 1 41 PRO HD3 1 42 PHE H 4.030 . 4.030 3.907 3.884 3.928 . 0 0 "[ . 1 . 2]" 1
534 1 42 PHE H 1 42 PHE HB2 3.760 . 3.760 3.670 3.652 3.683 . 0 0 "[ . 1 . 2]" 1
535 1 42 PHE H 1 42 PHE HB3 3.430 . 3.430 3.334 3.302 3.367 . 0 0 "[ . 1 . 2]" 1
536 1 41 PRO HD2 1 42 PHE H 3.430 . 3.430 2.786 2.754 2.822 . 0 0 "[ . 1 . 2]" 1
537 1 41 PRO HB2 1 42 PHE H 3.830 . 3.830 3.483 3.443 3.543 . 0 0 "[ . 1 . 2]" 1
538 1 41 PRO HB3 1 42 PHE H 4.210 . 4.210 4.170 4.143 4.198 . 0 0 "[ . 1 . 2]" 1
539 1 40 GLU HA 1 42 PHE H 4.370 . 4.370 4.144 3.975 4.295 . 0 0 "[ . 1 . 2]" 1
540 1 40 GLU HA 1 43 GLY H 3.220 . 3.220 3.034 2.784 3.260 0.040 8 0 "[ . 1 . 2]" 1
541 1 42 PHE HD1 1 43 GLY H 3.910 . 3.910 3.424 3.189 3.666 . 0 0 "[ . 1 . 2]" 1
542 1 42 PHE HA 1 43 GLY H 3.450 . 3.450 3.286 3.197 3.372 . 0 0 "[ . 1 . 2]" 1
543 1 42 PHE HB2 1 43 GLY H 4.250 . 4.250 4.115 3.959 4.237 . 0 0 "[ . 1 . 2]" 1
544 1 44 PRO HA 1 45 ILE H 2.400 . 2.400 2.136 2.112 2.154 . 0 0 "[ . 1 . 2]" 1
545 1 44 PRO HB3 1 45 ILE H 4.120 . 4.120 3.880 3.804 3.935 . 0 0 "[ . 1 . 2]" 1
546 1 44 PRO HB2 1 45 ILE H 3.790 . 3.790 3.520 3.444 3.570 . 0 0 "[ . 1 . 2]" 1
547 1 45 ILE H 1 45 ILE HG12 3.990 . 3.990 4.020 3.986 4.060 0.070 1 0 "[ . 1 . 2]" 1
548 1 45 ILE H 1 45 ILE HB 3.020 . 3.020 2.743 2.651 2.788 . 0 0 "[ . 1 . 2]" 1
549 1 45 ILE H 1 45 ILE HG13 3.650 . 3.650 2.959 2.907 3.020 . 0 0 "[ . 1 . 2]" 1
550 1 46 ASP H 1 61 PHE HA 3.820 . 3.820 3.606 3.483 3.718 . 0 0 "[ . 1 . 2]" 1
551 1 45 ILE HA 1 46 ASP H 2.670 . 2.670 2.291 2.251 2.319 . 0 0 "[ . 1 . 2]" 1
552 1 46 ASP H 1 46 ASP HB3 3.780 . 3.780 3.599 3.559 3.626 . 0 0 "[ . 1 . 2]" 1
553 1 46 ASP H 1 46 ASP HB2 3.400 . 3.400 2.418 2.346 2.475 . 0 0 "[ . 1 . 2]" 1
554 1 45 ILE HB 1 46 ASP H 3.830 . 3.830 3.632 3.577 3.675 . 0 0 "[ . 1 . 2]" 1
555 1 46 ASP H 1 47 GLN H 2.630 . 2.630 1.934 1.878 1.991 . 0 0 "[ . 1 . 2]" 1
556 1 47 GLN H 1 60 HIS H 3.360 . 3.360 3.080 2.849 3.228 . 0 0 "[ . 1 . 2]" 1
557 1 46 ASP HA 1 47 GLN H 3.460 . 3.460 3.423 3.379 3.455 . 0 0 "[ . 1 . 2]" 1
558 1 45 ILE HA 1 47 GLN H 4.000 . 4.000 3.847 3.762 3.911 . 0 0 "[ . 1 . 2]" 1
559 1 47 GLN H 1 60 HIS HB2 3.210 . 3.210 2.900 2.331 3.154 . 0 0 "[ . 1 . 2]" 1
560 1 47 GLN H 1 60 HIS HB3 4.250 . 4.250 4.087 3.767 4.217 . 0 0 "[ . 1 . 2]" 1
561 1 46 ASP HB3 1 47 GLN H 3.990 . 3.990 3.729 3.622 3.842 . 0 0 "[ . 1 . 2]" 1
562 1 46 ASP HB2 1 47 GLN H 3.580 . 3.580 3.212 3.090 3.379 . 0 0 "[ . 1 . 2]" 1
563 1 47 GLN H 1 47 GLN HB2 3.050 . 3.050 2.974 2.913 3.032 . 0 0 "[ . 1 . 2]" 1
564 1 45 ILE HB 1 47 GLN H 3.910 . 3.910 3.918 3.875 3.961 0.051 4 0 "[ . 1 . 2]" 1
565 1 47 GLN HA 1 48 ILE H 2.400 . 2.400 2.127 2.098 2.149 . 0 0 "[ . 1 . 2]" 1
566 1 47 GLN HG2 1 48 ILE H 3.910 . 3.910 3.123 2.775 3.324 . 0 0 "[ . 1 . 2]" 1
567 1 47 GLN HB3 1 48 ILE H 3.970 . 3.970 4.015 3.840 4.055 0.085 5 0 "[ . 1 . 2]" 1
568 1 48 ILE H 1 48 ILE HB 3.010 . 3.010 2.832 2.776 2.881 . 0 0 "[ . 1 . 2]" 1
569 1 49 LYS H 1 58 PHE HB2 3.900 . 3.900 3.347 3.147 3.513 . 0 0 "[ . 1 . 2]" 1
570 1 49 LYS H 1 49 LYS HB2 3.300 . 3.300 3.082 2.979 3.176 . 0 0 "[ . 1 . 2]" 1
571 1 49 LYS H 1 49 LYS HB3 3.260 . 3.260 2.564 2.482 2.713 . 0 0 "[ . 1 . 2]" 1
572 1 49 LYS H 1 50 ILE HG13 4.360 . 4.360 4.349 4.250 4.386 0.026 18 0 "[ . 1 . 2]" 1
573 1 50 ILE H 1 57 ALA HA 4.750 . 4.750 4.644 4.576 4.709 . 0 0 "[ . 1 . 2]" 1
574 1 49 LYS HA 1 50 ILE H 2.490 . 2.490 2.132 2.116 2.159 . 0 0 "[ . 1 . 2]" 1
575 1 49 LYS HB3 1 50 ILE H 4.410 . 4.410 4.361 4.258 4.422 0.012 13 0 "[ . 1 . 2]" 1
576 1 50 ILE H 1 50 ILE HB 2.670 . 2.670 2.498 2.454 2.575 . 0 0 "[ . 1 . 2]" 1
577 1 50 ILE H 1 50 ILE HG13 3.090 . 3.090 2.703 2.556 2.777 . 0 0 "[ . 1 . 2]" 1
578 1 49 LYS HG3 1 50 ILE H 3.660 . 3.660 3.406 3.094 3.611 . 0 0 "[ . 1 . 2]" 1
579 1 49 LYS HG2 1 50 ILE H 3.900 . 3.900 3.583 3.303 3.886 . 0 0 "[ . 1 . 2]" 1
580 1 51 VAL H 1 57 ALA HA 3.200 . 3.200 2.704 2.644 2.794 . 0 0 "[ . 1 . 2]" 1
581 1 50 ILE HA 1 51 VAL H 2.540 . 2.540 2.125 2.111 2.141 . 0 0 "[ . 1 . 2]" 1
582 1 51 VAL H 1 51 VAL HB 3.050 . 3.050 2.611 2.568 2.649 . 0 0 "[ . 1 . 2]" 1
583 1 51 VAL H 1 56 ILE HG13 3.750 . 3.750 3.251 3.155 3.478 . 0 0 "[ . 1 . 2]" 1
584 1 52 THR H 1 53 GLU H 3.090 . 3.090 2.549 2.467 2.644 . 0 0 "[ . 1 . 2]" 1
585 1 51 VAL H 1 52 THR H 4.000 . 4.000 3.888 3.827 3.965 . 0 0 "[ . 1 . 2]" 1
586 1 51 VAL HA 1 52 THR H 2.400 . 2.400 2.235 2.207 2.261 . 0 0 "[ . 1 . 2]" 1
587 1 52 THR H 1 52 THR HB 2.890 . 2.890 2.550 2.459 2.672 . 0 0 "[ . 1 . 2]" 1
588 1 51 VAL HB 1 52 THR H 4.640 . 4.640 4.434 4.409 4.464 . 0 0 "[ . 1 . 2]" 1
589 1 53 GLU H 1 55 ASN H 3.990 . 3.990 3.689 3.587 3.769 . 0 0 "[ . 1 . 2]" 1
590 1 53 GLU H 1 54 ARG H 3.010 . 3.010 2.640 2.537 2.744 . 0 0 "[ . 1 . 2]" 1
591 1 51 VAL HA 1 53 GLU H 3.770 . 3.770 3.313 3.189 3.468 . 0 0 "[ . 1 . 2]" 1
592 1 53 GLU H 1 53 GLU HA 2.910 . 2.910 2.805 2.764 2.835 . 0 0 "[ . 1 . 2]" 1
593 1 53 GLU H 1 53 GLU HG3 4.410 . 4.410 2.660 1.990 4.381 . 0 0 "[ . 1 . 2]" 1
594 1 53 GLU H 1 53 GLU HG2 4.410 . 4.410 3.523 2.183 4.192 . 0 0 "[ . 1 . 2]" 1
595 1 54 ARG H 1 55 ASN H 2.470 . 2.470 2.072 1.944 2.165 . 0 0 "[ . 1 . 2]" 1
596 1 55 ASN H 1 56 ILE H 2.900 . 2.900 2.570 2.534 2.630 . 0 0 "[ . 1 . 2]" 1
597 1 54 ARG HA 1 55 ASN H 3.330 . 3.330 3.233 3.195 3.292 . 0 0 "[ . 1 . 2]" 1
598 1 55 ASN H 1 55 ASN HA 2.440 . 2.440 2.271 2.256 2.279 . 0 0 "[ . 1 . 2]" 1
599 1 53 GLU HA 1 55 ASN H 4.410 . 4.410 4.162 4.019 4.286 . 0 0 "[ . 1 . 2]" 1
600 1 55 ASN H 1 55 ASN HB3 4.020 . 4.020 4.088 4.073 4.105 0.085 6 0 "[ . 1 . 2]" 1
601 1 55 ASN H 1 55 ASN HB2 3.890 . 3.890 3.577 3.512 3.621 . 0 0 "[ . 1 . 2]" 1
602 1 51 VAL HB 1 55 ASN H 4.900 . 4.900 4.495 4.355 4.608 . 0 0 "[ . 1 . 2]" 1
603 1 54 ARG HB3 1 55 ASN H 5.180 . 5.180 4.318 4.190 4.378 . 0 0 "[ . 1 . 2]" 1
604 1 54 ARG HB2 1 55 ASN H 3.850 . 3.850 3.587 3.465 3.687 . 0 0 "[ . 1 . 2]" 1
605 1 55 ASN H 1 56 ILE HG13 4.060 . 4.060 4.019 3.797 4.081 0.021 8 0 "[ . 1 . 2]" 1
606 1 51 VAL H 1 56 ILE H 3.700 . 3.700 3.648 3.543 3.705 0.005 2 0 "[ . 1 . 2]" 1
607 1 55 ASN HA 1 56 ILE H 2.960 . 2.960 2.916 2.873 2.966 0.006 2 0 "[ . 1 . 2]" 1
608 1 55 ASN HB3 1 56 ILE H 4.550 . 4.550 4.431 4.394 4.451 . 0 0 "[ . 1 . 2]" 1
609 1 51 VAL HB 1 56 ILE H 3.400 . 3.400 3.146 3.055 3.276 . 0 0 "[ . 1 . 2]" 1
610 1 56 ILE H 1 56 ILE HB 3.740 . 3.740 3.713 3.692 3.758 0.018 19 0 "[ . 1 . 2]" 1
611 1 54 ARG HB2 1 56 ILE H 3.720 . 3.720 3.239 3.090 3.476 . 0 0 "[ . 1 . 2]" 1
612 1 56 ILE H 1 56 ILE HG13 3.290 . 3.290 2.027 1.893 2.105 . 0 0 "[ . 1 . 2]" 1
613 1 23 LEU H 1 57 ALA H 3.290 . 3.290 2.796 2.705 2.916 . 0 0 "[ . 1 . 2]" 1
614 1 56 ILE HA 1 57 ALA H 2.610 . 2.610 2.294 2.257 2.332 . 0 0 "[ . 1 . 2]" 1
615 1 24 GLY HA2 1 57 ALA H 3.980 . 3.980 3.618 3.503 3.705 . 0 0 "[ . 1 . 2]" 1
616 1 23 LEU HB2 1 57 ALA H 3.420 . 3.420 2.790 2.687 2.987 . 0 0 "[ . 1 . 2]" 1
617 1 56 ILE HB 1 57 ALA H 2.850 . 2.850 2.667 2.493 2.756 . 0 0 "[ . 1 . 2]" 1
618 1 23 LEU HB3 1 57 ALA H 3.610 . 3.610 3.644 3.617 3.664 0.054 3 0 "[ . 1 . 2]" 1
619 1 56 ILE HG13 1 57 ALA H 4.410 . 4.410 4.351 4.283 4.411 0.001 19 0 "[ . 1 . 2]" 1
620 1 58 PHE H 1 58 PHE HD1 3.430 . 3.430 2.505 2.360 2.627 . 0 0 "[ . 1 . 2]" 1
621 1 57 ALA HA 1 58 PHE H 2.560 . 2.560 2.144 2.128 2.167 . 0 0 "[ . 1 . 2]" 1
622 1 50 ILE HA 1 58 PHE H 3.750 . 3.750 3.475 3.323 3.595 . 0 0 "[ . 1 . 2]" 1
623 1 58 PHE H 1 58 PHE HB3 3.780 . 3.780 3.662 3.633 3.691 . 0 0 "[ . 1 . 2]" 1
624 1 58 PHE H 1 58 PHE HB2 3.130 . 3.130 2.450 2.402 2.497 . 0 0 "[ . 1 . 2]" 1
625 1 49 LYS HB3 1 58 PHE H 3.800 . 3.800 3.141 2.915 3.342 . 0 0 "[ . 1 . 2]" 1
626 1 49 LYS HB2 1 58 PHE H 4.890 . 4.890 4.715 4.521 4.902 0.012 2 0 "[ . 1 . 2]" 1
627 1 21 VAL H 1 59 VAL H 3.660 . 3.660 3.442 3.170 3.596 . 0 0 "[ . 1 . 2]" 1
628 1 58 PHE HA 1 59 VAL H 2.590 . 2.590 2.140 2.123 2.164 . 0 0 "[ . 1 . 2]" 1
629 1 22 PHE HA 1 59 VAL H 3.870 . 3.870 3.304 3.108 3.430 . 0 0 "[ . 1 . 2]" 1
630 1 58 PHE HB3 1 59 VAL H 3.660 . 3.660 3.558 3.416 3.691 0.031 9 0 "[ . 1 . 2]" 1
631 1 58 PHE HB2 1 59 VAL H 4.500 . 4.500 4.386 4.319 4.425 . 0 0 "[ . 1 . 2]" 1
632 1 21 VAL HB 1 59 VAL H 3.900 . 3.900 3.284 3.123 3.375 . 0 0 "[ . 1 . 2]" 1
633 1 59 VAL H 1 59 VAL HB 3.470 . 3.470 2.950 2.872 3.079 . 0 0 "[ . 1 . 2]" 1
634 1 60 HIS H 1 61 PHE H 4.220 . 4.220 4.054 3.979 4.093 . 0 0 "[ . 1 . 2]" 1
635 1 47 GLN HA 1 60 HIS H 4.860 . 4.860 4.680 4.593 4.768 . 0 0 "[ . 1 . 2]" 1
636 1 59 VAL HA 1 60 HIS H 2.690 . 2.690 2.223 2.197 2.255 . 0 0 "[ . 1 . 2]" 1
637 1 60 HIS H 1 60 HIS HB2 3.300 . 3.300 2.502 2.461 2.564 . 0 0 "[ . 1 . 2]" 1
638 1 60 HIS H 1 60 HIS HB3 3.730 . 3.730 3.686 3.651 3.728 . 0 0 "[ . 1 . 2]" 1
639 1 47 GLN HB3 1 60 HIS H 3.800 . 3.800 3.136 2.906 3.412 . 0 0 "[ . 1 . 2]" 1
640 1 59 VAL HB 1 60 HIS H 3.900 . 3.900 3.772 3.681 3.850 . 0 0 "[ . 1 . 2]" 1
641 1 61 PHE H 1 61 PHE HD1 3.050 . 3.050 2.277 2.170 2.457 . 0 0 "[ . 1 . 2]" 1
642 1 20 ASN HA 1 61 PHE H 4.650 . 4.650 4.377 4.194 4.514 . 0 0 "[ . 1 . 2]" 1
643 1 60 HIS HA 1 61 PHE H 2.660 . 2.660 2.106 2.081 2.182 . 0 0 "[ . 1 . 2]" 1
644 1 61 PHE H 1 61 PHE HB3 3.600 . 3.600 3.580 3.557 3.604 0.004 14 0 "[ . 1 . 2]" 1
645 1 60 HIS HB3 1 61 PHE H 3.870 . 3.870 3.795 3.733 3.822 . 0 0 "[ . 1 . 2]" 1
646 1 61 PHE H 1 61 PHE HB2 3.020 . 3.020 2.309 2.270 2.334 . 0 0 "[ . 1 . 2]" 1
647 1 19 ARG HB3 1 61 PHE H 3.670 . 3.670 3.168 3.056 3.261 . 0 0 "[ . 1 . 2]" 1
648 1 19 ARG HB2 1 61 PHE H 4.340 . 4.340 4.307 4.179 4.405 0.065 12 0 "[ . 1 . 2]" 1
649 1 62 LEU H 1 63 ASN H 3.270 . 3.270 3.030 2.929 3.174 . 0 0 "[ . 1 . 2]" 1
650 1 72 GLN H 1 73 GLU H 2.880 . 2.880 2.406 2.387 2.427 . 0 0 "[ . 1 . 2]" 1
651 1 61 PHE HA 1 63 ASN H 4.120 . 4.120 4.005 3.852 4.142 0.022 2 0 "[ . 1 . 2]" 1
652 1 69 LYS HA 1 73 GLU H 4.330 . 4.330 4.273 4.101 4.355 0.025 6 0 "[ . 1 . 2]" 1
653 1 61 PHE HB3 1 63 ASN H 3.690 . 3.690 3.447 3.279 3.650 . 0 0 "[ . 1 . 2]" 1
654 1 71 VAL HA 1 73 GLU H 4.360 . 4.360 4.084 4.011 4.222 . 0 0 "[ . 1 . 2]" 1
655 1 73 GLU H 1 75 PRO HD2 3.960 . 3.960 3.072 3.028 3.138 . 0 0 "[ . 1 . 2]" 1
656 1 63 ASN H 1 63 ASN HB3 3.790 . 3.790 3.677 3.634 3.715 . 0 0 "[ . 1 . 2]" 1
657 1 63 ASN H 1 63 ASN HB2 3.180 . 3.180 2.538 2.406 2.616 . 0 0 "[ . 1 . 2]" 1
658 1 73 GLU H 1 73 GLU HG2 3.130 . 3.130 2.823 2.691 2.993 . 0 0 "[ . 1 . 2]" 1
659 1 72 GLN HB2 1 73 GLU H 3.170 . 3.170 3.112 3.022 3.193 0.023 18 0 "[ . 1 . 2]" 1
660 1 73 GLU H 1 73 GLU HB2 2.950 . 2.950 2.408 2.341 2.459 . 0 0 "[ . 1 . 2]" 1
661 1 62 LEU HG 1 63 ASN H 3.320 . 3.320 2.128 1.994 2.260 . 0 0 "[ . 1 . 2]" 1
662 1 19 ARG H 1 64 ILE H 4.990 . 4.990 4.742 4.525 4.960 . 0 0 "[ . 1 . 2]" 1
663 1 63 ASN H 1 64 ILE H 5.310 . 5.310 4.537 4.494 4.562 . 0 0 "[ . 1 . 2]" 1
664 1 64 ILE H 1 65 ALA H 3.220 . 3.220 2.680 2.635 2.745 . 0 0 "[ . 1 . 2]" 1
665 1 63 ASN HA 1 64 ILE H 2.590 . 2.590 2.211 2.169 2.262 . 0 0 "[ . 1 . 2]" 1
666 1 63 ASN HB3 1 64 ILE H 3.700 . 3.700 2.960 2.816 3.095 . 0 0 "[ . 1 . 2]" 1
667 1 63 ASN HB2 1 64 ILE H 4.010 . 4.010 3.980 3.859 4.071 0.061 5 0 "[ . 1 . 2]" 1
668 1 64 ILE H 1 64 ILE HB 2.800 . 2.800 2.294 2.212 2.340 . 0 0 "[ . 1 . 2]" 1
669 1 64 ILE H 1 64 ILE HG12 4.330 . 4.330 4.229 4.111 4.301 . 0 0 "[ . 1 . 2]" 1
670 1 64 ILE H 1 64 ILE HG13 4.820 . 4.820 4.609 4.566 4.638 . 0 0 "[ . 1 . 2]" 1
671 1 65 ALA H 1 66 ALA H 2.880 . 2.880 2.505 2.461 2.552 . 0 0 "[ . 1 . 2]" 1
672 1 65 ALA H 1 65 ALA HA 2.930 . 2.930 2.847 2.836 2.858 . 0 0 "[ . 1 . 2]" 1
673 1 63 ASN HB3 1 65 ALA H 3.480 . 3.480 2.951 2.660 3.133 . 0 0 "[ . 1 . 2]" 1
674 1 63 ASN HB2 1 65 ALA H 3.820 . 3.820 3.867 3.838 3.922 0.102 8 0 "[ . 1 . 2]" 1
675 1 64 ILE HB 1 65 ALA H 3.810 . 3.810 3.730 3.668 3.785 . 0 0 "[ . 1 . 2]" 1
676 1 65 ALA H 1 68 ILE HG13 4.170 . 4.170 4.208 4.176 4.248 0.078 6 0 "[ . 1 . 2]" 1
677 1 66 ALA H 1 67 ALA H 2.760 . 2.760 2.660 2.601 2.708 . 0 0 "[ . 1 . 2]" 1
678 1 65 ALA HA 1 66 ALA H 3.550 . 3.550 3.476 3.453 3.497 . 0 0 "[ . 1 . 2]" 1
679 1 64 ILE HA 1 66 ALA H 4.500 . 4.500 4.245 4.100 4.335 . 0 0 "[ . 1 . 2]" 1
680 1 63 ASN HB3 1 66 ALA H 3.670 . 3.670 2.970 2.685 3.208 . 0 0 "[ . 1 . 2]" 1
681 1 63 ASN HB2 1 66 ALA H 3.710 . 3.710 2.566 2.369 2.791 . 0 0 "[ . 1 . 2]" 1
682 1 66 ALA H 1 68 ILE HG13 4.760 . 4.760 4.552 4.441 4.699 . 0 0 "[ . 1 . 2]" 1
683 1 67 ALA H 1 68 ILE H 2.920 . 2.920 2.564 2.541 2.583 . 0 0 "[ . 1 . 2]" 1
684 1 64 ILE HA 1 67 ALA H 3.780 . 3.780 3.710 3.618 3.767 . 0 0 "[ . 1 . 2]" 1
685 1 61 PHE HB3 1 67 ALA H 3.910 . 3.910 2.892 2.831 2.931 . 0 0 "[ . 1 . 2]" 1
686 1 61 PHE HB2 1 67 ALA H 4.090 . 4.090 3.389 3.300 3.482 . 0 0 "[ . 1 . 2]" 1
687 1 67 ALA H 1 68 ILE HG12 5.110 . 5.110 5.114 5.088 5.133 0.023 2 0 "[ . 1 . 2]" 1
688 1 67 ALA H 1 69 LYS HG2 4.620 . 4.620 4.564 4.520 4.627 0.007 7 0 "[ . 1 . 2]" 1
689 1 67 ALA H 1 68 ILE HG13 4.500 . 4.500 3.920 3.818 4.139 . 0 0 "[ . 1 . 2]" 1
690 1 66 ALA H 1 68 ILE H 4.070 . 4.070 4.029 3.985 4.076 0.006 17 0 "[ . 1 . 2]" 1
691 1 65 ALA HA 1 68 ILE H 3.580 . 3.580 3.159 3.048 3.214 . 0 0 "[ . 1 . 2]" 1
692 1 68 ILE H 1 68 ILE HG12 2.840 . 2.840 2.891 2.876 2.908 0.068 19 0 "[ . 1 . 2]" 1
693 1 68 ILE H 1 68 ILE HB 2.730 . 2.730 2.659 2.553 2.710 . 0 0 "[ . 1 . 2]" 1
694 1 68 ILE H 1 68 ILE HG13 3.180 . 3.180 2.007 1.886 2.237 . 0 0 "[ . 1 . 2]" 1
695 1 65 ALA HA 1 69 LYS H 4.020 . 4.020 3.980 3.875 4.038 0.018 5 0 "[ . 1 . 2]" 1
696 1 69 LYS H 1 69 LYS HE3 4.810 . 4.810 4.737 4.614 4.842 0.032 12 0 "[ . 1 . 2]" 1
697 1 69 LYS H 1 69 LYS HB3 2.650 . 2.650 2.683 2.659 2.699 0.049 18 0 "[ . 1 . 2]" 1
698 1 68 ILE HG12 1 69 LYS H 4.680 . 4.680 4.649 4.632 4.681 0.001 3 0 "[ . 1 . 2]" 1
699 1 68 ILE HB 1 69 LYS H 2.810 . 2.810 2.165 2.114 2.230 . 0 0 "[ . 1 . 2]" 1
700 1 42 PHE HD1 1 70 ALA H 3.470 . 3.470 3.504 3.486 3.528 0.058 6 0 "[ . 1 . 2]" 1
701 1 69 LYS H 1 70 ALA H 2.810 . 2.810 2.719 2.686 2.754 . 0 0 "[ . 1 . 2]" 1
702 1 42 PHE HB2 1 70 ALA H 4.470 . 4.470 4.354 4.286 4.408 . 0 0 "[ . 1 . 2]" 1
703 1 67 ALA HA 1 70 ALA H 3.910 . 3.910 3.755 3.707 3.805 . 0 0 "[ . 1 . 2]" 1
704 1 70 ALA H 1 70 ALA HA 2.880 . 2.880 2.806 2.797 2.820 . 0 0 "[ . 1 . 2]" 1
705 1 69 LYS HG2 1 70 ALA H 3.910 . 3.910 2.355 2.237 2.425 . 0 0 "[ . 1 . 2]" 1
706 1 69 LYS HG3 1 70 ALA H 3.830 . 3.830 2.703 2.623 2.817 . 0 0 "[ . 1 . 2]" 1
707 1 73 GLU H 1 74 LEU H 2.810 . 2.810 2.172 2.139 2.236 . 0 0 "[ . 1 . 2]" 1
708 1 72 GLN H 1 74 LEU H 3.930 . 3.930 3.955 3.938 3.968 0.038 15 0 "[ . 1 . 2]" 1
709 1 74 LEU H 1 76 LEU H 4.200 . 4.200 4.073 4.010 4.113 . 0 0 "[ . 1 . 2]" 1
710 1 74 LEU H 1 75 PRO HD3 2.940 . 2.940 3.089 3.056 3.119 0.179 18 0 "[ . 1 . 2]" 1
711 1 71 VAL HA 1 74 LEU H 3.950 . 3.950 3.614 3.514 3.688 . 0 0 "[ . 1 . 2]" 1
712 1 74 LEU H 1 75 PRO HD2 3.070 . 3.070 2.222 2.172 2.242 . 0 0 "[ . 1 . 2]" 1
713 1 70 ALA HA 1 74 LEU H 4.100 . 4.100 3.805 3.761 3.835 . 0 0 "[ . 1 . 2]" 1
714 1 73 GLU HB3 1 74 LEU H 4.380 . 4.380 3.715 3.571 3.888 . 0 0 "[ . 1 . 2]" 1
715 1 73 GLU HB2 1 74 LEU H 3.450 . 3.450 2.845 2.723 2.983 . 0 0 "[ . 1 . 2]" 1
716 1 74 LEU H 1 74 LEU HB2 2.870 . 2.870 2.070 2.044 2.092 . 0 0 "[ . 1 . 2]" 1
717 1 74 LEU H 1 74 LEU HB3 3.410 . 3.410 3.386 3.366 3.413 0.003 5 0 "[ . 1 . 2]" 1
718 1 74 LEU H 1 75 PRO HG2 4.460 . 4.460 4.476 4.419 4.504 0.044 15 0 "[ . 1 . 2]" 1
719 1 73 GLU HA 1 76 LEU H 3.660 . 3.660 3.437 3.282 3.544 . 0 0 "[ . 1 . 2]" 1
720 1 76 LEU H 1 77 ASN HB2 4.620 . 4.620 4.048 3.977 4.175 . 0 0 "[ . 1 . 2]" 1
721 1 75 PRO HG3 1 76 LEU H 4.230 . 4.230 4.266 4.195 4.319 0.089 12 0 "[ . 1 . 2]" 1
722 1 75 PRO HG2 1 76 LEU H 3.030 . 3.030 2.852 2.770 2.935 . 0 0 "[ . 1 . 2]" 1
723 1 76 LEU H 1 76 LEU HB2 3.280 . 3.280 2.568 2.549 2.584 . 0 0 "[ . 1 . 2]" 1
724 1 76 LEU H 1 76 LEU HG 2.680 . 2.680 2.387 2.319 2.445 . 0 0 "[ . 1 . 2]" 1
725 1 84 ARG HA 1 85 ILE H 2.540 . 2.540 2.182 2.141 2.206 . 0 0 "[ . 1 . 2]" 1
726 1 85 ILE H 1 85 ILE HG12 3.860 . 3.860 3.624 3.555 3.759 . 0 0 "[ . 1 . 2]" 1
727 1 76 LEU HA 1 77 ASN H 3.060 . 3.060 3.238 3.197 3.279 0.219 10 0 "[ . 1 . 2]" 1
728 1 77 ASN H 1 77 ASN HB2 2.680 . 2.680 2.346 2.327 2.398 . 0 0 "[ . 1 . 2]" 1
729 1 77 ASN H 1 80 TRP HB2 4.070 . 4.070 3.433 3.331 3.582 . 0 0 "[ . 1 . 2]" 1
730 1 76 LEU HB2 1 77 ASN H 4.350 . 4.350 3.461 3.373 3.578 . 0 0 "[ . 1 . 2]" 1
731 1 79 LYS H 1 81 SER H 3.690 . 3.690 3.671 3.539 3.724 0.034 2 0 "[ . 1 . 2]" 1
732 1 78 PRO HD2 1 79 LYS H 3.320 . 3.320 2.663 2.575 2.775 . 0 0 "[ . 1 . 2]" 1
733 1 77 ASN HB2 1 79 LYS H 4.460 . 4.460 4.307 4.144 4.467 0.007 20 0 "[ . 1 . 2]" 1
734 1 78 PRO HB2 1 79 LYS H 3.920 . 3.920 3.249 3.123 3.450 . 0 0 "[ . 1 . 2]" 1
735 1 78 PRO HB3 1 79 LYS H 4.130 . 4.130 4.111 4.038 4.206 0.076 1 0 "[ . 1 . 2]" 1
736 1 79 LYS H 1 79 LYS HB2 2.840 . 2.840 2.582 2.491 2.699 . 0 0 "[ . 1 . 2]" 1
737 1 79 LYS H 1 79 LYS HG3 3.230 . 3.230 2.614 2.370 2.889 . 0 0 "[ . 1 . 2]" 1
738 1 79 LYS H 1 79 LYS HG2 4.090 . 4.090 3.927 3.796 3.997 . 0 0 "[ . 1 . 2]" 1
739 1 80 TRP H 1 81 SER H 2.880 . 2.880 2.462 2.351 2.582 . 0 0 "[ . 1 . 2]" 1
740 1 81 SER H 1 81 SER HA 2.790 . 2.790 2.830 2.811 2.843 0.053 3 0 "[ . 1 . 2]" 1
741 1 81 SER H 1 81 SER HB3 2.560 . 2.560 2.604 2.559 2.675 0.115 8 0 "[ . 1 . 2]" 1
742 1 80 TRP HB3 1 81 SER H 4.110 . 4.110 4.012 3.917 4.093 . 0 0 "[ . 1 . 2]" 1
743 1 80 TRP HB2 1 81 SER H 3.740 . 3.740 2.865 2.774 2.952 . 0 0 "[ . 1 . 2]" 1
744 1 79 LYS HB2 1 81 SER H 4.840 . 4.840 4.781 4.669 4.850 0.010 20 0 "[ . 1 . 2]" 1
745 1 82 LYS H 1 83 ARG H 2.900 . 2.900 2.445 2.277 2.516 . 0 0 "[ . 1 . 2]" 1
746 1 81 SER HA 1 83 ARG H 3.810 . 3.810 3.515 3.283 3.783 . 0 0 "[ . 1 . 2]" 1
747 1 80 TRP HA 1 83 ARG H 3.550 . 3.550 3.419 3.285 3.568 0.018 14 0 "[ . 1 . 2]" 1
748 1 83 ARG H 1 83 ARG HB3 3.790 . 3.790 3.640 3.596 3.708 . 0 0 "[ . 1 . 2]" 1
749 1 82 LYS HB3 1 83 ARG H 4.330 . 4.330 4.095 3.993 4.194 . 0 0 "[ . 1 . 2]" 1
750 1 83 ARG H 1 83 ARG HB2 2.990 . 2.990 2.427 2.359 2.525 . 0 0 "[ . 1 . 2]" 1
751 1 24 GLY H 1 84 ARG H 3.370 . 3.370 3.083 2.777 3.227 . 0 0 "[ . 1 . 2]" 1
752 1 83 ARG HA 1 84 ARG H 2.790 . 2.790 2.277 2.183 2.453 . 0 0 "[ . 1 . 2]" 1
753 1 25 ASN HB3 1 84 ARG H 3.550 . 3.550 2.045 1.787 2.570 0.013 12 0 "[ . 1 . 2]" 1
754 1 25 ASN HB2 1 84 ARG H 3.520 . 3.520 2.425 2.232 3.022 . 0 0 "[ . 1 . 2]" 1
755 1 83 ARG HB3 1 84 ARG H 2.950 . 2.950 2.825 2.374 2.990 0.040 11 0 "[ . 1 . 2]" 1
756 1 83 ARG HB2 1 84 ARG H 4.250 . 4.250 3.987 3.683 4.098 . 0 0 "[ . 1 . 2]" 1
757 1 84 ARG H 1 84 ARG HG2 3.140 . 3.140 2.730 2.393 3.210 0.070 1 0 "[ . 1 . 2]" 1
758 1 84 ARG H 1 84 ARG HB2 2.970 . 2.970 2.510 2.323 2.609 . 0 0 "[ . 1 . 2]" 1
759 1 86 TYR H 1 86 TYR HD1 3.680 . 3.680 3.507 3.294 3.633 . 0 0 "[ . 1 . 2]" 1
760 1 85 ILE HA 1 86 TYR H 2.610 . 2.610 2.160 2.128 2.207 . 0 0 "[ . 1 . 2]" 1
761 1 86 TYR H 1 86 TYR HB3 3.800 . 3.800 3.542 3.481 3.601 . 0 0 "[ . 1 . 2]" 1
762 1 86 TYR H 1 86 TYR HB2 4.000 . 4.000 3.905 3.868 3.968 . 0 0 "[ . 1 . 2]" 1
763 1 22 PHE HB3 1 86 TYR H 3.860 . 3.860 3.564 3.272 3.880 0.020 11 0 "[ . 1 . 2]" 1
764 1 85 ILE HG12 1 86 TYR H 3.770 . 3.770 3.418 3.316 3.462 . 0 0 "[ . 1 . 2]" 1
765 1 85 ILE HG13 1 86 TYR H 4.500 . 4.500 4.616 4.561 4.636 0.136 6 0 "[ . 1 . 2]" 1
766 1 86 TYR HD1 1 87 TYR H 3.710 . 3.710 3.500 3.337 3.719 0.009 17 0 "[ . 1 . 2]" 1
767 1 86 TYR HA 1 87 TYR H 3.000 . 3.000 2.453 2.412 2.488 . 0 0 "[ . 1 . 2]" 1
768 1 87 TYR H 1 87 TYR HB3 3.580 . 3.580 3.580 3.559 3.604 0.024 5 0 "[ . 1 . 2]" 1
769 1 86 TYR HB3 1 87 TYR H 3.680 . 3.680 3.638 3.569 3.706 0.026 18 0 "[ . 1 . 2]" 1
770 1 86 TYR HB2 1 87 TYR H 3.390 . 3.390 2.368 2.294 2.440 . 0 0 "[ . 1 . 2]" 1
771 1 87 TYR H 1 87 TYR HB2 3.350 . 3.350 2.474 2.432 2.526 . 0 0 "[ . 1 . 2]" 1
772 1 87 TYR H 1 88 GLY H 4.830 . 4.830 4.509 4.435 4.577 . 0 0 "[ . 1 . 2]" 1
773 1 88 GLY H 1 89 ARG H 5.180 . 5.180 4.448 3.904 4.648 . 0 0 "[ . 1 . 2]" 1
774 1 89 ARG H 1 90 ASP H 4.620 . 4.620 4.228 2.204 4.572 . 0 0 "[ . 1 . 2]" 1
775 1 88 GLY HA3 1 89 ARG H 3.180 . 3.180 2.883 2.181 3.428 0.248 10 0 "[ . 1 . 2]" 1
776 1 89 ARG H 1 89 ARG HB3 3.900 . 3.900 3.406 2.447 4.035 0.135 10 0 "[ . 1 . 2]" 1
777 1 89 ARG H 1 89 ARG HB2 3.900 . 3.900 3.135 2.447 3.792 . 0 0 "[ . 1 . 2]" 1
778 1 87 TYR HD1 1 88 GLY H 3.930 . 3.930 3.935 3.709 4.044 0.114 14 0 "[ . 1 . 2]" 1
779 1 87 TYR HA 1 88 GLY H 2.810 . 2.810 2.140 2.101 2.199 . 0 0 "[ . 1 . 2]" 1
780 1 21 VAL HA 1 88 GLY H 3.450 . 3.450 2.866 2.302 3.196 . 0 0 "[ . 1 . 2]" 1
781 1 87 TYR HB3 1 88 GLY H 3.700 . 3.700 3.288 3.040 3.488 . 0 0 "[ . 1 . 2]" 1
782 1 20 ASN HB2 1 88 GLY H 3.770 . 3.770 3.361 3.010 3.791 0.021 13 0 "[ . 1 . 2]" 1
783 1 89 ARG HA 1 90 ASP H 2.930 . 2.930 2.214 2.011 3.091 0.161 6 0 "[ . 1 . 2]" 1
784 1 90 ASP H 1 90 ASP HB2 3.700 . 3.700 3.298 2.461 3.644 . 0 0 "[ . 1 . 2]" 1
785 1 90 ASP H 1 90 ASP HB3 3.220 . 3.220 3.034 2.444 3.511 0.291 17 0 "[ . 1 . 2]" 1
786 1 89 ARG HB3 1 90 ASP H 4.160 . 4.160 3.615 2.636 4.228 0.068 4 0 "[ . 1 . 2]" 1
787 1 89 ARG HB2 1 90 ASP H 4.160 . 4.160 3.595 1.784 4.243 0.083 13 0 "[ . 1 . 2]" 1
788 1 90 ASP HA 1 91 ARG H 2.870 . 2.870 2.337 2.092 2.837 . 0 0 "[ . 1 . 2]" 1
789 1 90 ASP HB2 1 91 ARG H 3.950 . 3.950 3.909 3.547 4.061 0.111 8 0 "[ . 1 . 2]" 1
790 1 90 ASP HB3 1 91 ARG H 4.400 . 4.400 3.803 2.918 4.304 . 0 0 "[ . 1 . 2]" 1
791 1 91 ARG H 1 91 ARG HB2 3.900 . 3.900 3.022 2.332 3.904 0.004 6 0 "[ . 1 . 2]" 1
792 1 91 ARG H 1 91 ARG HB3 3.900 . 3.900 3.399 2.470 4.067 0.167 19 0 "[ . 1 . 2]" 1
793 1 92 CYS H 1 93 ALA H 3.890 . 3.890 2.623 2.130 3.508 . 0 0 "[ . 1 . 2]" 1
794 1 92 CYS H 1 92 CYS HB3 4.010 . 4.010 3.622 2.581 4.066 0.056 16 0 "[ . 1 . 2]" 1
795 1 93 ALA H 1 94 VAL H 4.040 . 4.040 3.630 2.099 4.265 0.225 9 0 "[ . 1 . 2]" 1
796 1 92 CYS HA 1 93 ALA H 3.200 . 3.200 2.911 2.370 3.301 0.101 19 0 "[ . 1 . 2]" 1
797 1 94 VAL H 1 95 GLY H 3.780 . 3.780 2.858 1.739 3.867 0.087 20 0 "[ . 1 . 2]" 1
798 1 93 ALA HA 1 94 VAL H 2.970 . 2.970 2.412 2.110 3.089 0.119 4 0 "[ . 1 . 2]" 1
799 1 94 VAL H 1 94 VAL HB 3.520 . 3.520 3.053 2.660 3.638 0.118 14 0 "[ . 1 . 2]" 1
800 1 96 LEU HA 1 97 LYS H 2.900 . 2.900 2.286 2.132 3.031 0.131 6 0 "[ . 1 . 2]" 1
801 1 16 GLY H 1 17 ALA H 4.140 . 4.140 3.145 2.160 4.188 0.048 4 0 "[ . 1 . 2]" 1
802 1 25 ASN H 1 26 LEU HG 4.040 . 4.040 2.750 2.556 2.893 . 0 0 "[ . 1 . 2]" 1
803 1 48 ILE HA 1 49 LYS H 2.540 . 2.540 2.130 2.102 2.162 . 0 0 "[ . 1 . 2]" 1
804 1 48 ILE HA 1 60 HIS H 4.020 . 4.020 3.485 3.296 3.613 . 0 0 "[ . 1 . 2]" 1
805 1 35 ILE HB 1 36 ARG H 2.940 . 2.940 2.646 2.566 2.702 . 0 0 "[ . 1 . 2]" 1
806 1 80 TRP HB2 1 82 LYS H 5.240 . 5.240 4.886 4.823 4.962 . 0 0 "[ . 1 . 2]" 1
807 1 82 LYS H 1 82 LYS HE2 5.500 . 5.500 5.224 4.352 5.503 0.003 14 0 "[ . 1 . 2]" 1
808 1 82 LYS H 1 82 LYS HE3 5.500 . 5.500 4.888 4.517 5.647 0.147 9 0 "[ . 1 . 2]" 1
809 1 11 ALA H 1 12 VAL H 2.980 . 2.980 2.638 2.140 2.828 . 0 0 "[ . 1 . 2]" 1
810 1 8 VAL HB 1 10 LEU H 5.240 . 5.240 4.381 1.912 5.012 . 0 0 "[ . 1 . 2]" 1
811 1 9 LEU HB3 1 12 VAL H 4.220 . 4.220 4.113 3.429 4.421 0.201 14 0 "[ . 1 . 2]" 1
812 1 9 LEU HB3 1 13 GLN H 5.500 . 5.500 4.853 3.727 5.648 0.148 15 0 "[ . 1 . 2]" 1
813 1 12 VAL HA 1 14 GLN H 4.830 . 4.830 4.061 3.103 4.924 0.094 6 0 "[ . 1 . 2]" 1
814 1 14 GLN H 1 15 SER HA 5.400 . 5.400 4.922 4.040 5.578 0.178 8 0 "[ . 1 . 2]" 1
815 1 17 ALA H 1 87 TYR HD1 5.000 . 5.000 4.537 2.765 5.078 0.078 5 0 "[ . 1 . 2]" 1
816 1 17 ALA H 1 18 CYS H 4.760 . 4.760 4.198 3.750 4.551 . 0 0 "[ . 1 . 2]" 1
817 1 17 ALA H 1 87 TYR HE1 5.500 . 5.500 5.147 3.314 5.609 0.109 2 0 "[ . 1 . 2]" 1
818 1 18 CYS H 1 19 ARG HB2 5.500 . 5.500 5.313 5.059 5.536 0.036 4 0 "[ . 1 . 2]" 1
819 1 18 CYS H 1 19 ARG H 4.520 . 4.520 4.545 4.439 4.578 0.058 16 0 "[ . 1 . 2]" 1
820 1 19 ARG H 1 20 ASN HA 5.500 . 5.500 5.462 5.411 5.536 0.036 4 0 "[ . 1 . 2]" 1
821 1 19 ARG H 1 63 ASN HA 5.500 . 5.500 5.212 5.045 5.519 0.019 14 0 "[ . 1 . 2]" 1
822 1 19 ARG H 1 64 ILE HA 4.510 . 4.510 2.720 2.623 2.799 . 0 0 "[ . 1 . 2]" 1
823 1 19 ARG H 1 20 ASN HB2 5.360 . 5.360 5.186 4.989 5.307 . 0 0 "[ . 1 . 2]" 1
824 1 19 ARG H 1 61 PHE HB3 4.610 . 4.610 4.221 4.027 4.355 . 0 0 "[ . 1 . 2]" 1
825 1 19 ARG H 1 64 ILE HG12 4.780 . 4.780 3.915 3.636 4.179 . 0 0 "[ . 1 . 2]" 1
826 1 19 ARG HG3 1 20 ASN H 4.820 . 4.820 4.599 4.513 4.703 . 0 0 "[ . 1 . 2]" 1
827 1 20 ASN H 1 21 VAL H 4.240 . 4.240 4.151 4.116 4.225 . 0 0 "[ . 1 . 2]" 1
828 1 20 ASN H 1 88 GLY H 5.010 . 5.010 4.743 4.555 5.066 0.056 18 0 "[ . 1 . 2]" 1
829 1 20 ASN H 1 87 TYR HD1 4.470 . 4.470 4.247 4.125 4.463 . 0 0 "[ . 1 . 2]" 1
830 1 18 CYS H 1 20 ASN H 4.610 . 4.610 4.165 3.798 4.326 . 0 0 "[ . 1 . 2]" 1
831 1 68 ILE H 1 87 TYR HE1 4.190 . 4.190 3.634 3.472 3.818 . 0 0 "[ . 1 . 2]" 1
832 1 71 VAL H 1 87 TYR HE1 5.240 . 5.240 4.797 4.466 5.195 . 0 0 "[ . 1 . 2]" 1
833 1 20 ASN H 1 87 TYR HE1 5.500 . 5.500 5.559 5.515 5.621 0.121 5 0 "[ . 1 . 2]" 1
834 1 20 ASN H 1 60 HIS HA 4.820 . 4.820 4.755 4.660 4.847 0.027 8 0 "[ . 1 . 2]" 1
835 1 20 ASN H 1 87 TYR HA 5.390 . 5.390 5.227 5.105 5.419 0.029 17 0 "[ . 1 . 2]" 1
836 1 20 ASN H 1 61 PHE HB2 4.630 . 4.630 4.328 4.089 4.595 . 0 0 "[ . 1 . 2]" 1
837 1 17 ALA HA 1 20 ASN H 5.500 . 5.500 4.904 4.491 5.289 . 0 0 "[ . 1 . 2]" 1
838 1 19 ARG HB3 1 20 ASN H 4.680 . 4.680 4.463 4.342 4.561 . 0 0 "[ . 1 . 2]" 1
839 1 21 VAL H 1 60 HIS H 5.500 . 5.500 5.337 5.242 5.404 . 0 0 "[ . 1 . 2]" 1
840 1 21 VAL H 1 61 PHE HD1 4.660 . 4.660 4.177 3.998 4.325 . 0 0 "[ . 1 . 2]" 1
841 1 20 ASN HB2 1 21 VAL H 4.580 . 4.580 4.495 4.450 4.523 . 0 0 "[ . 1 . 2]" 1
842 1 21 VAL H 1 58 PHE HB3 5.500 . 5.500 5.352 5.125 5.507 0.007 1 0 "[ . 1 . 2]" 1
843 1 22 PHE H 1 23 LEU H 4.570 . 4.570 4.328 4.245 4.377 . 0 0 "[ . 1 . 2]" 1
844 1 22 PHE H 1 87 TYR H 5.500 . 5.500 4.954 4.816 5.212 . 0 0 "[ . 1 . 2]" 1
845 1 22 PHE H 1 86 TYR HD1 4.420 . 4.420 3.744 3.438 3.953 . 0 0 "[ . 1 . 2]" 1
846 1 22 PHE H 1 23 LEU HG 5.500 . 5.500 5.305 5.155 5.489 . 0 0 "[ . 1 . 2]" 1
847 1 22 PHE H 1 85 ILE HG12 5.500 . 5.500 5.350 4.997 5.520 0.020 15 0 "[ . 1 . 2]" 1
848 1 20 ASN HB3 1 22 PHE H 5.430 . 5.430 5.271 4.906 5.479 0.049 1 0 "[ . 1 . 2]" 1
849 1 23 LEU H 1 86 TYR H 5.500 . 5.500 5.181 5.062 5.361 . 0 0 "[ . 1 . 2]" 1
850 1 19 ARG H 1 61 PHE H 4.320 . 4.320 4.127 4.030 4.205 . 0 0 "[ . 1 . 2]" 1
851 1 22 PHE HD1 1 23 LEU H 3.980 . 3.980 2.099 1.895 2.420 . 0 0 "[ . 1 . 2]" 1
852 1 23 LEU H 1 58 PHE HD1 5.160 . 5.160 5.231 5.169 5.264 0.104 8 0 "[ . 1 . 2]" 1
853 1 23 LEU H 1 57 ALA HA 5.310 . 5.310 4.595 4.526 4.664 . 0 0 "[ . 1 . 2]" 1
854 1 23 LEU H 1 85 ILE HA 5.500 . 5.500 4.721 4.657 4.809 . 0 0 "[ . 1 . 2]" 1
855 1 24 GLY H 1 25 ASN H 4.130 . 4.130 3.132 2.985 3.314 . 0 0 "[ . 1 . 2]" 1
856 1 23 LEU H 1 24 GLY H 4.550 . 4.550 4.420 4.243 4.484 . 0 0 "[ . 1 . 2]" 1
857 1 22 PHE HD1 1 24 GLY H 5.500 . 5.500 5.529 5.450 5.578 0.078 1 0 "[ . 1 . 2]" 1
858 1 24 GLY H 1 83 ARG HB3 4.820 . 4.820 4.173 3.989 4.387 . 0 0 "[ . 1 . 2]" 1
859 1 24 GLY HA2 1 25 ASN H 2.940 . 2.940 2.550 2.475 2.679 . 0 0 "[ . 1 . 2]" 1
860 1 25 ASN H 1 83 ARG HA 4.640 . 4.640 4.036 3.901 4.338 . 0 0 "[ . 1 . 2]" 1
861 1 25 ASN H 1 26 LEU HA 4.810 . 4.810 4.108 3.991 4.239 . 0 0 "[ . 1 . 2]" 1
862 1 25 ASN H 1 55 ASN HB2 4.670 . 4.670 4.664 4.357 4.730 0.060 16 0 "[ . 1 . 2]" 1
863 1 25 ASN H 1 84 ARG HB2 4.550 . 4.550 4.390 4.085 4.577 0.027 11 0 "[ . 1 . 2]" 1
864 1 25 ASN H 1 26 LEU HB3 5.210 . 5.210 5.054 4.976 5.208 . 0 0 "[ . 1 . 2]" 1
865 1 25 ASN H 1 26 LEU HB2 5.140 . 5.140 4.226 4.057 4.465 . 0 0 "[ . 1 . 2]" 1
866 1 26 LEU H 1 27 PRO HD2 4.960 . 4.960 4.911 4.831 4.960 . 0 0 "[ . 1 . 2]" 1
867 1 25 ASN HB2 1 26 LEU H 4.480 . 4.480 4.560 4.511 4.609 0.129 6 0 "[ . 1 . 2]" 1
868 1 26 LEU H 1 83 ARG HG3 4.110 . 4.110 3.809 3.681 4.084 . 0 0 "[ . 1 . 2]" 1
869 1 28 ASN H 1 30 ILE H 4.680 . 4.680 4.721 4.696 4.757 0.077 15 0 "[ . 1 . 2]" 1
870 1 27 PRO HD3 1 28 ASN H 5.500 . 5.500 5.586 5.555 5.619 0.119 1 0 "[ . 1 . 2]" 1
871 1 27 PRO HD2 1 28 ASN H 5.500 . 5.500 5.437 5.361 5.539 0.039 14 0 "[ . 1 . 2]" 1
872 1 28 ASN H 1 29 GLY H 4.610 . 4.610 4.493 4.443 4.555 . 0 0 "[ . 1 . 2]" 1
873 1 29 GLY H 1 30 ILE HB 5.060 . 5.060 4.800 4.649 4.918 . 0 0 "[ . 1 . 2]" 1
874 1 29 GLY H 1 52 THR HB 4.060 . 4.060 3.334 3.087 4.115 0.055 11 0 "[ . 1 . 2]" 1
875 1 27 PRO HB2 1 30 ILE H 4.700 . 4.700 4.454 4.275 4.582 . 0 0 "[ . 1 . 2]" 1
876 1 26 LEU HB2 1 30 ILE H 5.500 . 5.500 5.271 5.093 5.514 0.014 16 0 "[ . 1 . 2]" 1
877 1 69 LYS H 1 72 GLN H 4.940 . 4.940 4.736 4.704 4.785 . 0 0 "[ . 1 . 2]" 1
878 1 30 ILE H 1 31 THR H 4.600 . 4.600 4.558 4.528 4.588 . 0 0 "[ . 1 . 2]" 1
879 1 32 GLU H 1 34 GLU H 4.200 . 4.200 4.208 4.169 4.238 0.038 17 0 "[ . 1 . 2]" 1
880 1 31 THR H 1 32 GLU H 4.740 . 4.740 4.491 4.471 4.505 . 0 0 "[ . 1 . 2]" 1
881 1 32 GLU H 1 33 ASP HA 5.500 . 5.500 5.196 5.160 5.251 . 0 0 "[ . 1 . 2]" 1
882 1 32 GLU H 1 33 ASP HB3 5.500 . 5.500 4.931 4.738 5.106 . 0 0 "[ . 1 . 2]" 1
883 1 32 GLU H 1 33 ASP HB2 4.690 . 4.690 4.717 4.628 4.772 0.082 19 0 "[ . 1 . 2]" 1
884 1 32 GLU H 1 50 ILE HB 5.070 . 5.070 4.770 4.536 5.008 . 0 0 "[ . 1 . 2]" 1
885 1 30 ILE HG13 1 32 GLU H 5.500 . 5.500 5.052 4.937 5.176 . 0 0 "[ . 1 . 2]" 1
886 1 32 GLU H 1 50 ILE HG13 5.500 . 5.500 4.822 4.668 4.977 . 0 0 "[ . 1 . 2]" 1
887 1 33 ASP H 1 36 ARG H 4.800 . 4.800 4.692 4.640 4.752 . 0 0 "[ . 1 . 2]" 1
888 1 33 ASP H 1 36 ARG HD3 4.590 . 4.590 3.618 3.203 4.680 0.090 18 0 "[ . 1 . 2]" 1
889 1 33 ASP H 1 36 ARG HG3 4.970 . 4.970 4.966 4.798 5.072 0.102 18 0 "[ . 1 . 2]" 1
890 1 34 GLU H 1 37 GLU H 4.820 . 4.820 4.825 4.774 4.873 0.053 20 0 "[ . 1 . 2]" 1
891 1 34 GLU H 1 35 ILE HA 5.390 . 5.390 5.282 5.226 5.314 . 0 0 "[ . 1 . 2]" 1
892 1 30 ILE HG13 1 34 GLU H 5.040 . 5.040 5.026 4.968 5.073 0.033 11 0 "[ . 1 . 2]" 1
893 1 34 GLU H 1 35 ILE HG13 5.060 . 5.060 4.846 4.729 4.973 . 0 0 "[ . 1 . 2]" 1
894 1 33 ASP H 1 35 ILE H 4.840 . 4.840 4.561 4.467 4.725 . 0 0 "[ . 1 . 2]" 1
895 1 31 THR H 1 35 ILE H 4.800 . 4.800 4.649 4.570 4.708 . 0 0 "[ . 1 . 2]" 1
896 1 32 GLU H 1 35 ILE H 5.160 . 5.160 5.092 5.054 5.123 . 0 0 "[ . 1 . 2]" 1
897 1 31 THR HA 1 35 ILE H 5.500 . 5.500 5.587 5.555 5.605 0.105 5 0 "[ . 1 . 2]" 1
898 1 33 ASP HA 1 35 ILE H 5.260 . 5.260 4.922 4.821 5.076 . 0 0 "[ . 1 . 2]" 1
899 1 35 ILE H 1 36 ARG HA 5.360 . 5.360 5.353 5.319 5.377 0.017 20 0 "[ . 1 . 2]" 1
900 1 33 ASP HB3 1 35 ILE H 5.500 . 5.500 5.263 5.167 5.351 . 0 0 "[ . 1 . 2]" 1
901 1 30 ILE HG13 1 35 ILE H 4.130 . 4.130 4.179 4.153 4.215 0.085 20 0 "[ . 1 . 2]" 1
902 1 35 ILE H 1 36 ARG HG3 4.850 . 4.850 4.745 4.593 4.846 . 0 0 "[ . 1 . 2]" 1
903 1 36 ARG H 1 39 LEU H 4.900 . 4.900 4.667 4.638 4.694 . 0 0 "[ . 1 . 2]" 1
904 1 36 ARG H 1 38 ASP H 4.440 . 4.440 3.892 3.833 3.945 . 0 0 "[ . 1 . 2]" 1
905 1 34 GLU HA 1 36 ARG H 5.130 . 5.130 4.647 4.569 4.763 . 0 0 "[ . 1 . 2]" 1
906 1 36 ARG H 1 37 GLU HA 5.500 . 5.500 5.514 5.480 5.539 0.039 16 0 "[ . 1 . 2]" 1
907 1 36 ARG H 1 36 ARG HD3 4.490 . 4.490 3.641 3.366 4.404 . 0 0 "[ . 1 . 2]" 1
908 1 36 ARG H 1 36 ARG HD2 4.730 . 4.730 4.448 3.523 4.612 . 0 0 "[ . 1 . 2]" 1
909 1 32 GLU HB2 1 36 ARG H 4.870 . 4.870 4.975 4.858 5.033 0.163 7 0 "[ . 1 . 2]" 1
910 1 32 GLU HB3 1 36 ARG H 4.330 . 4.330 4.234 4.044 4.416 0.086 19 0 "[ . 1 . 2]" 1
911 1 35 ILE HG13 1 36 ARG H 4.630 . 4.630 4.487 4.406 4.530 . 0 0 "[ . 1 . 2]" 1
912 1 37 GLU H 1 38 ASP HA 5.230 . 5.230 5.243 5.216 5.266 0.036 12 0 "[ . 1 . 2]" 1
913 1 35 ILE HA 1 37 GLU H 5.020 . 5.020 4.904 4.836 4.978 . 0 0 "[ . 1 . 2]" 1
914 1 36 ARG HD3 1 37 GLU H 4.780 . 4.780 4.573 4.435 4.776 . 0 0 "[ . 1 . 2]" 1
915 1 37 GLU H 1 38 ASP HB2 4.670 . 4.670 4.594 4.555 4.634 . 0 0 "[ . 1 . 2]" 1
916 1 36 ARG HB3 1 37 GLU H 3.990 . 3.990 2.918 2.844 3.007 . 0 0 "[ . 1 . 2]" 1
917 1 36 ARG HG2 1 37 GLU H 4.400 . 4.400 4.707 4.670 4.736 0.336 18 0 "[ . 1 . 2]" 1
918 1 35 ILE H 1 38 ASP H 4.800 . 4.800 4.816 4.788 4.835 0.035 4 0 "[ . 1 . 2]" 1
919 1 38 ASP H 1 39 LEU HA 5.240 . 5.240 5.015 4.981 5.058 . 0 0 "[ . 1 . 2]" 1
920 1 34 GLU HA 1 38 ASP H 4.890 . 4.890 4.509 4.407 4.578 . 0 0 "[ . 1 . 2]" 1
921 1 38 ASP H 1 41 PRO HD2 4.940 . 4.940 4.825 4.692 4.929 . 0 0 "[ . 1 . 2]" 1
922 1 39 LEU H 1 42 PHE HE1 5.210 . 5.210 5.212 5.171 5.237 0.027 10 0 "[ . 1 . 2]" 1
923 1 39 LEU H 1 40 GLU HA 4.620 . 4.620 4.643 4.600 4.682 0.062 20 0 "[ . 1 . 2]" 1
924 1 37 GLU HA 1 39 LEU H 4.220 . 4.220 4.282 4.241 4.308 0.088 6 0 "[ . 1 . 2]" 1
925 1 35 ILE HA 1 39 LEU H 4.270 . 4.270 4.231 4.160 4.296 0.026 13 0 "[ . 1 . 2]" 1
926 1 39 LEU H 1 40 GLU HB2 4.200 . 4.200 4.170 4.083 4.216 0.016 10 0 "[ . 1 . 2]" 1
927 1 36 ARG HG3 1 39 LEU H 5.500 . 5.500 5.800 5.719 5.849 0.349 4 0 "[ . 1 . 2]" 1
928 1 40 GLU H 1 42 PHE H 4.390 . 4.390 4.405 4.365 4.433 0.043 2 0 "[ . 1 . 2]" 1
929 1 40 GLU H 1 42 PHE HE1 5.500 . 5.500 5.567 5.538 5.603 0.103 2 0 "[ . 1 . 2]" 1
930 1 40 GLU H 1 41 PRO HB3 4.950 . 4.950 5.275 5.254 5.293 0.343 13 0 "[ . 1 . 2]" 1
931 1 39 LEU H 1 42 PHE H 5.500 . 5.500 5.650 5.599 5.695 0.195 2 0 "[ . 1 . 2]" 1
932 1 42 PHE H 1 43 GLY HA2 5.030 . 5.030 4.795 4.749 4.844 . 0 0 "[ . 1 . 2]" 1
933 1 42 PHE H 1 44 PRO HD3 5.480 . 5.480 5.205 4.982 5.446 . 0 0 "[ . 1 . 2]" 1
934 1 42 PHE H 1 69 LYS HG3 5.300 . 5.300 5.330 5.309 5.370 0.070 2 0 "[ . 1 . 2]" 1
935 1 40 GLU H 1 43 GLY H 4.820 . 4.820 4.603 4.472 4.733 . 0 0 "[ . 1 . 2]" 1
936 1 41 PRO HA 1 43 GLY H 4.520 . 4.520 4.243 4.072 4.402 . 0 0 "[ . 1 . 2]" 1
937 1 43 GLY H 1 44 PRO HD3 4.180 . 4.180 3.386 3.308 3.476 . 0 0 "[ . 1 . 2]" 1
938 1 43 GLY H 1 44 PRO HD2 4.260 . 4.260 4.026 3.864 4.200 . 0 0 "[ . 1 . 2]" 1
939 1 41 PRO HD2 1 43 GLY H 4.690 . 4.690 3.913 3.839 3.998 . 0 0 "[ . 1 . 2]" 1
940 1 43 GLY H 1 44 PRO HB3 5.420 . 5.420 5.408 5.314 5.458 0.038 1 0 "[ . 1 . 2]" 1
941 1 40 GLU HB3 1 43 GLY H 5.160 . 5.160 4.823 4.647 5.033 . 0 0 "[ . 1 . 2]" 1
942 1 40 GLU HB2 1 43 GLY H 5.500 . 5.500 5.261 5.142 5.372 . 0 0 "[ . 1 . 2]" 1
943 1 43 GLY H 1 44 PRO HG3 5.500 . 5.500 5.595 5.554 5.627 0.127 13 0 "[ . 1 . 2]" 1
944 1 39 LEU HB3 1 43 GLY H 5.130 . 5.130 4.709 4.490 4.966 . 0 0 "[ . 1 . 2]" 1
945 1 41 PRO HG2 1 43 GLY H 4.650 . 4.650 4.311 4.258 4.370 . 0 0 "[ . 1 . 2]" 1
946 1 45 ILE H 1 46 ASP H 4.770 . 4.770 4.525 4.497 4.546 . 0 0 "[ . 1 . 2]" 1
947 1 40 GLU HB3 1 45 ILE H 5.110 . 5.110 4.528 4.025 5.041 . 0 0 "[ . 1 . 2]" 1
948 1 39 LEU HB2 1 45 ILE H 5.500 . 5.500 5.603 5.563 5.670 0.170 12 0 "[ . 1 . 2]" 1
949 1 45 ILE H 1 62 LEU HG 5.500 . 5.500 5.556 5.516 5.606 0.106 5 0 "[ . 1 . 2]" 1
950 1 46 ASP H 1 60 HIS H 4.190 . 4.190 4.105 3.787 4.231 0.041 17 0 "[ . 1 . 2]" 1
951 1 46 ASP H 1 60 HIS HB2 4.130 . 4.130 3.875 3.120 4.147 0.017 18 0 "[ . 1 . 2]" 1
952 1 46 ASP H 1 60 HIS HB3 4.480 . 4.480 4.320 3.707 4.516 0.036 10 0 "[ . 1 . 2]" 1
953 1 46 ASP H 1 47 GLN HB2 4.290 . 4.290 4.385 4.315 4.466 0.176 14 0 "[ . 1 . 2]" 1
954 1 45 ILE HG12 1 46 ASP H 5.130 . 5.130 4.923 4.804 5.021 . 0 0 "[ . 1 . 2]" 1
955 1 46 ASP H 1 62 LEU HB3 5.500 . 5.500 4.520 4.346 4.699 . 0 0 "[ . 1 . 2]" 1
956 1 46 ASP H 1 62 LEU HG 5.500 . 5.500 5.036 4.882 5.182 . 0 0 "[ . 1 . 2]" 1
957 1 45 ILE HG13 1 46 ASP H 4.850 . 4.850 4.564 4.454 4.622 . 0 0 "[ . 1 . 2]" 1
958 1 47 GLN H 1 60 HIS HA 5.190 . 5.190 5.015 4.766 5.100 . 0 0 "[ . 1 . 2]" 1
959 1 47 GLN H 1 48 ILE HA 4.930 . 4.930 4.800 4.747 4.875 . 0 0 "[ . 1 . 2]" 1
960 1 47 GLN H 1 61 PHE HA 5.250 . 5.250 4.944 4.857 5.118 . 0 0 "[ . 1 . 2]" 1
961 1 45 ILE HG12 1 47 GLN H 5.500 . 5.500 5.239 5.143 5.289 . 0 0 "[ . 1 . 2]" 1
962 1 47 GLN H 1 48 ILE HG13 4.740 . 4.740 3.622 3.540 3.740 . 0 0 "[ . 1 . 2]" 1
963 1 47 GLN H 1 47 GLN HG3 4.560 . 4.560 4.656 4.624 4.696 0.136 19 0 "[ . 1 . 2]" 1
964 1 47 GLN H 1 48 ILE HG12 4.740 . 4.740 4.049 3.971 4.153 . 0 0 "[ . 1 . 2]" 1
965 1 45 ILE HG13 1 47 GLN H 5.500 . 5.500 5.514 5.456 5.543 0.043 8 0 "[ . 1 . 2]" 1
966 1 47 GLN H 1 48 ILE H 4.310 . 4.310 4.114 4.065 4.187 . 0 0 "[ . 1 . 2]" 1
967 1 48 ILE H 1 60 HIS HB2 5.500 . 5.500 5.410 5.292 5.512 0.012 18 0 "[ . 1 . 2]" 1
968 1 47 GLN HG3 1 48 ILE H 3.810 . 3.810 3.656 3.350 3.826 0.016 3 0 "[ . 1 . 2]" 1
969 1 48 ILE H 1 49 LYS H 4.340 . 4.340 4.012 3.937 4.133 . 0 0 "[ . 1 . 2]" 1
970 1 49 LYS H 1 58 PHE HD1 5.390 . 5.390 5.071 4.800 5.246 . 0 0 "[ . 1 . 2]" 1
971 1 49 LYS H 1 59 VAL HA 3.800 . 3.800 3.506 3.410 3.622 . 0 0 "[ . 1 . 2]" 1
972 1 49 LYS H 1 58 PHE HB3 4.890 . 4.890 4.307 4.190 4.407 . 0 0 "[ . 1 . 2]" 1
973 1 47 GLN HG2 1 49 LYS H 5.500 . 5.500 4.393 4.108 4.723 . 0 0 "[ . 1 . 2]" 1
974 1 48 ILE HB 1 49 LYS H 4.260 . 4.260 4.305 4.274 4.329 0.069 13 0 "[ . 1 . 2]" 1
975 1 49 LYS H 1 49 LYS HG3 4.950 . 4.950 4.670 4.594 4.709 . 0 0 "[ . 1 . 2]" 1
976 1 49 LYS H 1 49 LYS HG2 4.690 . 4.690 4.371 4.311 4.504 . 0 0 "[ . 1 . 2]" 1
977 1 51 VAL H 1 54 ARG H 5.290 . 5.290 5.164 5.107 5.249 . 0 0 "[ . 1 . 2]" 1
978 1 50 ILE HG13 1 51 VAL H 4.840 . 4.840 4.876 4.849 4.903 0.063 2 0 "[ . 1 . 2]" 1
979 1 51 VAL H 1 56 ILE HB 4.800 . 4.800 4.659 4.597 4.768 . 0 0 "[ . 1 . 2]" 1
980 1 50 ILE HB 1 51 VAL H 4.380 . 4.380 4.297 4.202 4.372 . 0 0 "[ . 1 . 2]" 1
981 1 49 LYS HG3 1 51 VAL H 5.500 . 5.500 5.467 5.120 5.567 0.067 8 0 "[ . 1 . 2]" 1
982 1 52 THR H 1 55 ASN H 4.810 . 4.810 4.589 4.480 4.704 . 0 0 "[ . 1 . 2]" 1
983 1 52 THR H 1 54 ARG H 4.700 . 4.700 4.249 4.119 4.377 . 0 0 "[ . 1 . 2]" 1
984 1 50 ILE HB 1 52 THR H 4.940 . 4.940 4.460 4.258 4.586 . 0 0 "[ . 1 . 2]" 1
985 1 53 GLU H 1 55 ASN HA 5.450 . 5.450 5.344 5.128 5.475 0.025 8 0 "[ . 1 . 2]" 1
986 1 53 GLU H 1 54 ARG HB2 5.220 . 5.220 5.044 4.729 5.188 . 0 0 "[ . 1 . 2]" 1
987 1 51 VAL HA 1 54 ARG H 4.590 . 4.590 4.326 4.244 4.412 . 0 0 "[ . 1 . 2]" 1
988 1 54 ARG H 1 56 ILE HG13 4.290 . 4.290 3.691 3.431 3.846 . 0 0 "[ . 1 . 2]" 1
989 1 51 VAL H 1 55 ASN H 5.330 . 5.330 5.383 5.353 5.415 0.085 2 0 "[ . 1 . 2]" 1
990 1 55 ASN H 1 56 ILE HA 5.280 . 5.280 5.213 5.187 5.244 . 0 0 "[ . 1 . 2]" 1
991 1 52 THR H 1 56 ILE H 5.280 . 5.280 4.894 4.737 5.005 . 0 0 "[ . 1 . 2]" 1
992 1 55 ASN HB2 1 56 ILE H 4.200 . 4.200 4.081 4.041 4.149 . 0 0 "[ . 1 . 2]" 1
993 1 24 GLY H 1 57 ALA H 5.060 . 5.060 4.674 4.601 4.717 . 0 0 "[ . 1 . 2]" 1
994 1 56 ILE H 1 57 ALA H 4.520 . 4.520 4.469 4.458 4.481 . 0 0 "[ . 1 . 2]" 1
995 1 57 ALA H 1 58 PHE HD1 4.550 . 4.550 4.401 4.285 4.501 . 0 0 "[ . 1 . 2]" 1
996 1 22 PHE HD1 1 57 ALA H 5.060 . 5.060 3.271 3.089 3.563 . 0 0 "[ . 1 . 2]" 1
997 1 22 PHE HA 1 57 ALA H 4.910 . 4.910 4.568 4.438 4.712 . 0 0 "[ . 1 . 2]" 1
998 1 50 ILE HA 1 57 ALA H 4.720 . 4.720 4.693 4.633 4.745 0.025 12 0 "[ . 1 . 2]" 1
999 1 51 VAL HB 1 57 ALA H 5.500 . 5.500 5.496 5.431 5.540 0.040 17 0 "[ . 1 . 2]" 1
1000 1 23 LEU H 1 58 PHE H 5.100 . 5.100 4.772 4.757 4.788 . 0 0 "[ . 1 . 2]" 1
1001 1 58 PHE H 1 58 PHE HE1 5.020 . 5.020 4.897 4.768 5.013 . 0 0 "[ . 1 . 2]" 1
1002 1 22 PHE HE1 1 58 PHE H 5.420 . 5.420 4.864 4.517 5.109 . 0 0 "[ . 1 . 2]" 1
1003 1 22 PHE HD1 1 58 PHE H 5.070 . 5.070 4.512 4.316 4.611 . 0 0 "[ . 1 . 2]" 1
1004 1 22 PHE HA 1 58 PHE H 5.500 . 5.500 5.133 5.073 5.203 . 0 0 "[ . 1 . 2]" 1
1005 1 48 ILE HA 1 58 PHE H 5.300 . 5.300 4.705 4.591 4.882 . 0 0 "[ . 1 . 2]" 1
1006 1 49 LYS HA 1 58 PHE H 5.500 . 5.500 4.597 4.507 4.677 . 0 0 "[ . 1 . 2]" 1
1007 1 50 ILE HG13 1 58 PHE H 4.640 . 4.640 4.671 4.652 4.696 0.056 11 0 "[ . 1 . 2]" 1
1008 1 49 LYS HG2 1 58 PHE H 4.510 . 4.510 3.978 3.762 4.319 . 0 0 "[ . 1 . 2]" 1
1009 1 58 PHE H 1 59 VAL H 4.590 . 4.590 4.269 4.199 4.349 . 0 0 "[ . 1 . 2]" 1
1010 1 59 VAL H 1 60 HIS H 4.480 . 4.480 4.441 4.399 4.485 0.005 18 0 "[ . 1 . 2]" 1
1011 1 23 LEU H 1 59 VAL H 4.940 . 4.940 4.286 4.198 4.442 . 0 0 "[ . 1 . 2]" 1
1012 1 59 VAL H 1 61 PHE HD1 5.500 . 5.500 5.253 5.121 5.368 . 0 0 "[ . 1 . 2]" 1
1013 1 20 ASN HA 1 59 VAL H 5.500 . 5.500 5.200 4.935 5.412 . 0 0 "[ . 1 . 2]" 1
1014 1 48 ILE HA 1 59 VAL H 5.030 . 5.030 4.789 4.721 4.835 . 0 0 "[ . 1 . 2]" 1
1015 1 60 HIS H 1 61 PHE HD1 4.770 . 4.770 4.417 4.310 4.537 . 0 0 "[ . 1 . 2]" 1
1016 1 45 ILE HB 1 60 HIS H 4.920 . 4.920 4.928 4.876 4.956 0.036 16 0 "[ . 1 . 2]" 1
1017 1 21 VAL H 1 61 PHE H 4.710 . 4.710 4.242 4.118 4.377 . 0 0 "[ . 1 . 2]" 1
1018 1 61 PHE H 1 62 LEU H 4.450 . 4.450 4.265 4.204 4.316 . 0 0 "[ . 1 . 2]" 1
1019 1 20 ASN H 1 61 PHE H 4.600 . 4.600 4.201 3.928 4.420 . 0 0 "[ . 1 . 2]" 1
1020 1 19 ARG HA 1 61 PHE H 4.130 . 4.130 2.029 1.920 2.099 . 0 0 "[ . 1 . 2]" 1
1021 1 21 VAL HB 1 61 PHE H 4.760 . 4.760 4.357 4.289 4.418 . 0 0 "[ . 1 . 2]" 1
1022 1 19 ARG HG2 1 61 PHE H 5.500 . 5.500 4.285 4.098 4.684 . 0 0 "[ . 1 . 2]" 1
1023 1 19 ARG HG3 1 61 PHE H 5.500 . 5.500 5.042 4.415 5.268 . 0 0 "[ . 1 . 2]" 1
1024 1 46 ASP H 1 62 LEU H 4.040 . 4.040 3.379 3.248 3.495 . 0 0 "[ . 1 . 2]" 1
1025 1 45 ILE HG13 1 62 LEU H 5.500 . 5.500 4.910 4.828 5.009 . 0 0 "[ . 1 . 2]" 1
1026 1 63 ASN H 1 66 ALA H 4.600 . 4.600 4.333 4.188 4.451 . 0 0 "[ . 1 . 2]" 1
1027 1 63 ASN H 1 67 ALA H 5.220 . 5.220 4.832 4.725 4.979 . 0 0 "[ . 1 . 2]" 1
1028 1 64 ILE H 1 66 ALA H 4.550 . 4.550 4.032 3.938 4.167 . 0 0 "[ . 1 . 2]" 1
1029 1 64 ILE H 1 67 ALA H 5.290 . 5.290 5.107 5.058 5.172 . 0 0 "[ . 1 . 2]" 1
1030 1 65 ALA H 1 67 ALA H 4.330 . 4.330 4.243 4.159 4.304 . 0 0 "[ . 1 . 2]" 1
1031 1 63 ASN HA 1 65 ALA H 4.350 . 4.350 4.145 4.041 4.283 . 0 0 "[ . 1 . 2]" 1
1032 1 66 ALA H 1 69 LYS H 5.170 . 5.170 5.072 4.986 5.125 . 0 0 "[ . 1 . 2]" 1
1033 1 63 ASN HA 1 66 ALA H 4.690 . 4.690 4.433 4.294 4.581 . 0 0 "[ . 1 . 2]" 1
1034 1 43 GLY HA2 1 66 ALA H 5.080 . 5.080 4.911 4.783 5.037 . 0 0 "[ . 1 . 2]" 1
1035 1 61 PHE HB3 1 66 ALA H 4.740 . 4.740 4.362 4.269 4.464 . 0 0 "[ . 1 . 2]" 1
1036 1 61 PHE HB2 1 66 ALA H 5.500 . 5.500 5.511 5.363 5.571 0.071 14 0 "[ . 1 . 2]" 1
1037 1 66 ALA H 1 69 LYS HD3 4.670 . 4.670 4.475 4.403 4.555 . 0 0 "[ . 1 . 2]" 1
1038 1 66 ALA H 1 68 ILE HB 5.500 . 5.500 5.212 5.001 5.291 . 0 0 "[ . 1 . 2]" 1
1039 1 66 ALA H 1 69 LYS HG2 5.500 . 5.500 4.656 4.553 4.771 . 0 0 "[ . 1 . 2]" 1
1040 1 19 ARG H 1 67 ALA H 4.610 . 4.610 4.368 4.161 4.613 0.003 2 0 "[ . 1 . 2]" 1
1041 1 61 PHE HD1 1 67 ALA H 5.500 . 5.500 5.506 5.454 5.533 0.033 14 0 "[ . 1 . 2]" 1
1042 1 67 ALA H 1 87 TYR HE1 5.430 . 5.430 5.259 5.064 5.458 0.028 5 0 "[ . 1 . 2]" 1
1043 1 19 ARG HA 1 67 ALA H 5.100 . 5.100 5.066 4.971 5.145 0.045 11 0 "[ . 1 . 2]" 1
1044 1 65 ALA HA 1 67 ALA H 4.380 . 4.380 4.221 4.133 4.270 . 0 0 "[ . 1 . 2]" 1
1045 1 67 ALA H 1 68 ILE HA 5.140 . 5.140 5.164 5.148 5.180 0.040 2 0 "[ . 1 . 2]" 1
1046 1 61 PHE HA 1 67 ALA H 5.420 . 5.420 5.451 5.410 5.475 0.055 18 0 "[ . 1 . 2]" 1
1047 1 67 ALA H 1 69 LYS HD3 5.500 . 5.500 5.555 5.491 5.597 0.097 12 0 "[ . 1 . 2]" 1
1048 1 65 ALA H 1 68 ILE H 4.830 . 4.830 4.802 4.745 4.844 0.014 6 0 "[ . 1 . 2]" 1
1049 1 64 ILE HA 1 68 ILE H 4.900 . 4.900 4.622 4.535 4.685 . 0 0 "[ . 1 . 2]" 1
1050 1 68 ILE H 1 69 LYS H 2.980 . 2.980 2.942 2.926 2.962 . 0 0 "[ . 1 . 2]" 1
1051 1 67 ALA H 1 69 LYS H 4.680 . 4.680 4.587 4.552 4.659 . 0 0 "[ . 1 . 2]" 1
1052 1 42 PHE HB2 1 69 LYS H 5.500 . 5.500 5.503 5.384 5.551 0.051 5 0 "[ . 1 . 2]" 1
1053 1 69 LYS H 1 72 GLN HB2 4.890 . 4.890 4.887 4.792 4.956 0.066 7 0 "[ . 1 . 2]" 1
1054 1 68 ILE HG13 1 69 LYS H 4.130 . 4.130 3.928 3.836 4.092 . 0 0 "[ . 1 . 2]" 1
1055 1 42 PHE HE1 1 70 ALA H 4.860 . 4.860 4.616 4.568 4.657 . 0 0 "[ . 1 . 2]" 1
1056 1 67 ALA H 1 70 ALA H 5.080 . 5.080 4.864 4.816 4.924 . 0 0 "[ . 1 . 2]" 1
1057 1 68 ILE HA 1 70 ALA H 4.860 . 4.860 4.602 4.538 4.655 . 0 0 "[ . 1 . 2]" 1
1058 1 70 ALA H 1 73 GLU HB2 4.990 . 4.990 5.015 4.923 5.071 0.081 8 0 "[ . 1 . 2]" 1
1059 1 71 VAL H 1 73 GLU H 4.060 . 4.060 4.051 4.023 4.076 0.016 7 0 "[ . 1 . 2]" 1
1060 1 42 PHE HE1 1 71 VAL H 5.350 . 5.350 5.341 5.298 5.375 0.025 13 0 "[ . 1 . 2]" 1
1061 1 66 ALA HA 1 68 ILE H 4.430 . 4.430 4.452 4.440 4.469 0.039 3 0 "[ . 1 . 2]" 1
1062 1 68 ILE HA 1 71 VAL H 3.940 . 3.940 3.886 3.787 3.945 0.005 14 0 "[ . 1 . 2]" 1
1063 1 69 LYS HA 1 71 VAL H 4.900 . 4.900 4.624 4.572 4.680 . 0 0 "[ . 1 . 2]" 1
1064 1 31 THR H 1 33 ASP H 5.500 . 5.500 5.147 5.024 5.279 . 0 0 "[ . 1 . 2]" 1
1065 1 72 GLN H 1 73 GLU HA 5.090 . 5.090 5.057 5.041 5.071 . 0 0 "[ . 1 . 2]" 1
1066 1 72 GLN H 1 75 PRO HD2 4.940 . 4.940 4.395 4.338 4.427 . 0 0 "[ . 1 . 2]" 1
1067 1 72 GLN H 1 74 LEU HB2 4.840 . 4.840 4.809 4.779 4.846 0.006 14 0 "[ . 1 . 2]" 1
1068 1 31 THR H 1 35 ILE HG13 5.280 . 5.280 5.175 5.025 5.287 0.007 5 0 "[ . 1 . 2]" 1
1069 1 73 GLU H 1 76 LEU H 4.890 . 4.890 5.028 4.977 5.067 0.177 7 0 "[ . 1 . 2]" 1
1070 1 73 GLU H 1 75 PRO HG2 4.680 . 4.680 4.767 4.753 4.776 0.096 18 0 "[ . 1 . 2]" 1
1071 1 72 GLN HB3 1 73 GLU H 3.900 . 3.900 3.912 3.829 3.966 0.066 7 0 "[ . 1 . 2]" 1
1072 1 73 GLU H 1 74 LEU HB2 4.190 . 4.190 3.893 3.845 3.985 . 0 0 "[ . 1 . 2]" 1
1073 1 73 GLU HG2 1 74 LEU H 4.640 . 4.640 4.503 4.446 4.625 . 0 0 "[ . 1 . 2]" 1
1074 1 74 LEU H 1 76 LEU HG 5.350 . 5.350 5.020 4.762 5.242 . 0 0 "[ . 1 . 2]" 1
1075 1 39 LEU HG 1 74 LEU H 5.500 . 5.500 5.549 5.512 5.576 0.076 2 0 "[ . 1 . 2]" 1
1076 1 74 LEU H 1 85 ILE HG13 5.070 . 5.070 4.642 4.435 4.921 . 0 0 "[ . 1 . 2]" 1
1077 1 76 LEU H 1 77 ASN HA 5.110 . 5.110 4.902 4.862 4.968 . 0 0 "[ . 1 . 2]" 1
1078 1 75 PRO HD3 1 76 LEU H 4.100 . 4.100 3.962 3.929 3.984 . 0 0 "[ . 1 . 2]" 1
1079 1 75 PRO HD2 1 76 LEU H 3.320 . 3.320 2.830 2.750 2.870 . 0 0 "[ . 1 . 2]" 1
1080 1 73 GLU HB2 1 76 LEU H 5.490 . 5.490 5.450 5.405 5.485 . 0 0 "[ . 1 . 2]" 1
1081 1 73 GLU HB3 1 76 LEU H 4.830 . 4.830 4.856 4.791 4.904 0.074 9 0 "[ . 1 . 2]" 1
1082 1 74 LEU HB3 1 76 LEU H 5.050 . 5.050 4.885 4.796 5.006 . 0 0 "[ . 1 . 2]" 1
1083 1 74 LEU HB2 1 76 LEU H 5.310 . 5.310 4.988 4.931 5.041 . 0 0 "[ . 1 . 2]" 1
1084 1 77 ASN H 1 78 PRO HD2 4.930 . 4.930 4.827 4.763 4.871 . 0 0 "[ . 1 . 2]" 1
1085 1 77 ASN HA 1 79 LYS H 4.650 . 4.650 4.375 4.181 4.500 . 0 0 "[ . 1 . 2]" 1
1086 1 79 LYS H 1 80 TRP HB2 4.530 . 4.530 4.622 4.586 4.641 0.111 12 0 "[ . 1 . 2]" 1
1087 1 79 LYS H 1 79 LYS HE2 5.470 . 5.470 4.203 4.008 4.745 . 0 0 "[ . 1 . 2]" 1
1088 1 79 LYS H 1 79 LYS HE3 5.470 . 5.470 4.624 3.610 5.233 . 0 0 "[ . 1 . 2]" 1
1089 1 79 LYS HG3 1 80 TRP H 4.360 . 4.360 4.297 4.161 4.436 0.076 6 0 "[ . 1 . 2]" 1
1090 1 79 LYS HG2 1 80 TRP H 4.990 . 4.990 4.995 4.865 5.064 0.074 14 0 "[ . 1 . 2]" 1
1091 1 80 TRP HD1 1 81 SER H 4.980 . 4.980 5.003 4.987 5.038 0.058 11 0 "[ . 1 . 2]" 1
1092 1 81 SER H 1 82 LYS HA 5.500 . 5.500 5.222 5.173 5.280 . 0 0 "[ . 1 . 2]" 1
1093 1 78 PRO HD2 1 81 SER H 4.720 . 4.720 5.033 4.993 5.064 0.344 7 0 "[ . 1 . 2]" 1
1094 1 77 ASN HB2 1 81 SER H 4.550 . 4.550 3.821 3.757 3.898 . 0 0 "[ . 1 . 2]" 1
1095 1 82 LYS H 1 83 ARG HD3 4.700 . 4.700 3.524 3.233 4.035 . 0 0 "[ . 1 . 2]" 1
1096 1 82 LYS H 1 83 ARG HB2 4.600 . 4.600 4.534 4.368 4.620 0.020 15 0 "[ . 1 . 2]" 1
1097 1 25 ASN HB3 1 83 ARG H 4.500 . 4.500 4.543 4.492 4.597 0.097 15 0 "[ . 1 . 2]" 1
1098 1 80 TRP HB3 1 83 ARG H 4.760 . 4.760 4.785 4.693 4.825 0.065 17 0 "[ . 1 . 2]" 1
1099 1 80 TRP HB2 1 83 ARG H 5.190 . 5.190 5.166 5.111 5.201 0.011 20 0 "[ . 1 . 2]" 1
1100 1 83 ARG H 1 83 ARG HD2 4.270 . 4.270 3.004 2.318 4.165 . 0 0 "[ . 1 . 2]" 1
1101 1 82 LYS HB2 1 83 ARG H 3.360 . 3.360 3.198 3.013 3.394 0.034 5 0 "[ . 1 . 2]" 1
1102 1 84 ARG H 1 85 ILE H 4.320 . 4.320 4.256 4.133 4.329 0.009 16 0 "[ . 1 . 2]" 1
1103 1 25 ASN H 1 84 ARG H 4.910 . 4.910 3.398 3.090 3.549 . 0 0 "[ . 1 . 2]" 1
1104 1 23 LEU HA 1 84 ARG H 4.500 . 4.500 4.398 3.928 4.545 0.045 7 0 "[ . 1 . 2]" 1
1105 1 24 GLY HA2 1 84 ARG H 5.220 . 5.220 4.959 4.828 5.049 . 0 0 "[ . 1 . 2]" 1
1106 1 26 LEU HA 1 84 ARG H 5.400 . 5.400 5.333 5.173 5.458 0.058 1 0 "[ . 1 . 2]" 1
1107 1 25 ASN HA 1 84 ARG H 4.870 . 4.870 4.276 4.156 4.505 . 0 0 "[ . 1 . 2]" 1
1108 1 23 LEU HB3 1 84 ARG H 4.870 . 4.870 4.411 3.915 4.733 . 0 0 "[ . 1 . 2]" 1
1109 1 26 LEU HG 1 84 ARG H 5.160 . 5.160 4.577 4.333 4.777 . 0 0 "[ . 1 . 2]" 1
1110 1 85 ILE H 1 86 TYR H 4.500 . 4.500 4.422 4.387 4.457 . 0 0 "[ . 1 . 2]" 1
1111 1 24 GLY H 1 86 TYR H 5.500 . 5.500 5.221 5.033 5.377 . 0 0 "[ . 1 . 2]" 1
1112 1 86 TYR H 1 86 TYR HE1 4.790 . 4.790 4.855 4.773 4.905 0.115 4 0 "[ . 1 . 2]" 1
1113 1 22 PHE HA 1 86 TYR H 5.200 . 5.200 4.880 4.826 4.966 . 0 0 "[ . 1 . 2]" 1
1114 1 21 VAL HA 1 86 TYR H 4.410 . 4.410 4.388 4.230 4.471 0.061 14 0 "[ . 1 . 2]" 1
1115 1 22 PHE HB2 1 86 TYR H 5.210 . 5.210 4.984 4.815 5.178 . 0 0 "[ . 1 . 2]" 1
1116 1 85 ILE HB 1 86 TYR H 4.120 . 4.120 3.076 2.981 3.209 . 0 0 "[ . 1 . 2]" 1
1117 1 86 TYR H 1 87 TYR H 4.760 . 4.760 4.364 4.352 4.382 . 0 0 "[ . 1 . 2]" 1
1118 1 22 PHE H 1 88 GLY H 4.050 . 4.050 3.471 2.957 3.943 . 0 0 "[ . 1 . 2]" 1
1119 1 21 VAL H 1 88 GLY H 4.720 . 4.720 3.828 3.525 4.107 . 0 0 "[ . 1 . 2]" 1
1120 1 86 TYR HD1 1 88 GLY H 4.610 . 4.610 4.113 3.581 4.274 . 0 0 "[ . 1 . 2]" 1
1121 1 86 TYR HE1 1 88 GLY H 5.430 . 5.430 5.342 4.581 5.505 0.075 11 0 "[ . 1 . 2]" 1
1122 1 22 PHE HB3 1 88 GLY H 4.970 . 4.970 4.548 4.201 4.866 . 0 0 "[ . 1 . 2]" 1
1123 1 87 TYR H 1 87 TYR HD1 4.180 . 4.180 4.232 3.843 4.326 0.146 11 0 "[ . 1 . 2]" 1
1124 1 89 ARG H 1 90 ASP HB3 5.500 . 5.500 5.322 4.431 5.718 0.218 18 0 "[ . 1 . 2]" 1
1125 1 91 ARG H 1 91 ARG HD2 5.080 . 5.080 3.940 1.761 5.180 0.100 20 0 "[ . 1 . 2]" 1
1126 1 91 ARG H 1 91 ARG HD3 5.080 . 5.080 4.013 1.802 5.093 0.013 11 0 "[ . 1 . 2]" 1
1127 1 90 ASP HA 1 92 CYS H 4.350 . 4.350 3.922 2.704 4.393 0.043 1 0 "[ . 1 . 2]" 1
1128 1 92 CYS H 1 92 CYS HB2 4.010 . 4.010 3.155 2.511 3.685 . 0 0 "[ . 1 . 2]" 1
1129 1 90 ASP HB2 1 92 CYS H 4.690 . 4.690 4.455 4.112 5.023 0.333 20 0 "[ . 1 . 2]" 1
1130 1 90 ASP HB3 1 92 CYS H 4.930 . 4.930 3.561 2.535 4.735 . 0 0 "[ . 1 . 2]" 1
1131 1 91 ARG HB2 1 92 CYS H 4.350 . 4.350 3.710 2.851 4.471 0.121 18 0 "[ . 1 . 2]" 1
1132 1 91 ARG HB3 1 92 CYS H 4.350 . 4.350 4.262 3.736 4.499 0.149 18 0 "[ . 1 . 2]" 1
1133 1 91 ARG HG2 1 92 CYS H 5.500 . 5.500 4.578 2.793 5.604 0.104 12 0 "[ . 1 . 2]" 1
1134 1 91 ARG HG3 1 92 CYS H 5.500 . 5.500 4.442 2.413 5.632 0.132 19 0 "[ . 1 . 2]" 1
1135 1 94 VAL HB 1 95 GLY H 4.650 . 4.650 4.257 3.436 4.614 . 0 0 "[ . 1 . 2]" 1
1136 1 69 LYS H 1 71 VAL H 4.420 . 4.420 4.406 4.361 4.443 0.023 18 0 "[ . 1 . 2]" 1
1137 1 42 PHE HD1 1 71 VAL H 5.440 . 5.440 5.464 5.441 5.490 0.050 15 0 "[ . 1 . 2]" 1
1138 1 34 GLU H 1 35 ILE H 2.810 . 2.810 2.696 2.623 2.736 . 0 0 "[ . 1 . 2]" 1
1139 1 70 ALA H 1 71 VAL H 2.830 . 2.830 2.774 2.742 2.799 . 0 0 "[ . 1 . 2]" 1
1140 1 71 VAL H 1 72 GLN H 2.600 . 2.600 2.598 2.576 2.616 0.016 13 0 "[ . 1 . 2]" 1
1141 1 13 GLN H 1 14 GLN H 3.740 . 3.740 3.363 2.257 4.061 0.321 8 0 "[ . 1 . 2]" 1
1142 1 14 GLN H 1 15 SER H 4.400 . 4.400 3.313 1.805 4.486 0.086 1 0 "[ . 1 . 2]" 1
1143 1 38 ASP HB2 1 80 TRP HE1 3.710 . 3.710 3.267 3.173 3.460 . 0 0 "[ . 1 . 2]" 1
1144 1 38 ASP HB3 1 80 TRP HE1 3.120 . 3.120 2.501 2.336 2.847 . 0 0 "[ . 1 . 2]" 1
1145 1 79 LYS HD3 1 80 TRP HE1 4.470 . 4.470 4.385 4.199 4.539 0.069 1 0 "[ . 1 . 2]" 1
stop_
save_
save_distance_constraint_statistics_2
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 2
_Distance_constraint_stats_list.Constraint_count 1
_Distance_constraint_stats_list.Viol_count 20
_Distance_constraint_stats_list.Viol_total 117.916
_Distance_constraint_stats_list.Viol_max 0.361
_Distance_constraint_stats_list.Viol_rms 0.0332
_Distance_constraint_stats_list.Viol_average_all_restraints 0.2948
_Distance_constraint_stats_list.Viol_average_violations_only 0.2948
_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 19 ARG 5.896 0.361 6 0 "[ . 1 . 2]"
1 61 PHE 5.896 0.361 6 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 19 ARG H 1 61 PHE O 2.300 . 2.300 2.595 2.539 2.661 0.361 6 0 "[ . 1 . 2]" 2
stop_
save_
save_distance_constraint_statistics_3
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 3
_Distance_constraint_stats_list.Constraint_count 42
_Distance_constraint_stats_list.Viol_count 400
_Distance_constraint_stats_list.Viol_total 966.774
_Distance_constraint_stats_list.Viol_max 0.354
_Distance_constraint_stats_list.Viol_rms 0.0936
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0575
_Distance_constraint_stats_list.Viol_average_violations_only 0.1208
_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 8 VAL 0.565 0.110 20 0 "[ . 1 . 2]"
1 9 LEU 0.174 0.054 15 0 "[ . 1 . 2]"
1 11 ALA 0.565 0.110 20 0 "[ . 1 . 2]"
1 12 VAL 0.174 0.054 15 0 "[ . 1 . 2]"
1 19 ARG 2.304 0.184 14 0 "[ . 1 . 2]"
1 21 VAL 0.539 0.049 11 0 "[ . 1 . 2]"
1 23 LEU 18.013 0.354 9 0 "[ . 1 . 2]"
1 31 THR 2.088 0.123 5 0 "[ . 1 . 2]"
1 32 GLU 5.666 0.185 18 0 "[ . 1 . 2]"
1 33 ASP 0.008 0.008 17 0 "[ . 1 . 2]"
1 34 GLU 0.514 0.075 5 0 "[ . 1 . 2]"
1 35 ILE 2.833 0.123 5 0 "[ . 1 . 2]"
1 36 ARG 5.666 0.185 18 0 "[ . 1 . 2]"
1 37 GLU 0.008 0.008 17 0 "[ . 1 . 2]"
1 38 ASP 0.514 0.075 5 0 "[ . 1 . 2]"
1 39 LEU 0.745 0.062 17 0 "[ . 1 . 2]"
1 47 GLN 8.508 0.323 8 0 "[ . 1 . 2]"
1 51 VAL 7.543 0.284 12 0 "[ . 1 . 2]"
1 56 ILE 7.543 0.284 12 0 "[ . 1 . 2]"
1 57 ALA 18.013 0.354 9 0 "[ . 1 . 2]"
1 59 VAL 0.539 0.049 11 0 "[ . 1 . 2]"
1 60 HIS 8.508 0.323 8 0 "[ . 1 . 2]"
1 61 PHE 2.304 0.184 14 0 "[ . 1 . 2]"
1 64 ILE 0.248 0.041 10 0 "[ . 1 . 2]"
1 65 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 66 ALA 0.055 0.012 7 0 "[ . 1 . 2]"
1 67 ALA 0.143 0.038 1 0 "[ . 1 . 2]"
1 68 ILE 0.248 0.041 10 0 "[ . 1 . 2]"
1 69 LYS 0.215 0.050 16 0 "[ . 1 . 2]"
1 70 ALA 0.665 0.056 11 0 "[ . 1 . 2]"
1 71 VAL 0.143 0.038 1 0 "[ . 1 . 2]"
1 72 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 73 GLU 0.215 0.050 16 0 "[ . 1 . 2]"
1 74 LEU 0.610 0.056 11 0 "[ . 1 . 2]"
1 79 LYS 0.402 0.070 1 0 "[ . 1 . 2]"
1 82 LYS 0.402 0.070 1 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 19 ARG N 1 61 PHE O 3.300 2.800 3.300 3.021 2.959 3.062 . 0 0 "[ . 1 . 2]" 3
2 1 19 ARG O 1 61 PHE H 2.300 . 2.300 2.413 2.263 2.484 0.184 14 0 "[ . 1 . 2]" 3
3 1 19 ARG O 1 61 PHE N 3.300 2.800 3.300 3.156 3.045 3.204 . 0 0 "[ . 1 . 2]" 3
4 1 21 VAL H 1 59 VAL O 2.300 . 2.300 2.245 2.140 2.314 0.014 10 0 "[ . 1 . 2]" 3
5 1 21 VAL N 1 59 VAL O 3.300 2.800 3.300 3.069 3.009 3.168 . 0 0 "[ . 1 . 2]" 3
6 1 21 VAL O 1 59 VAL H 2.300 . 2.300 1.806 1.778 1.842 0.022 14 0 "[ . 1 . 2]" 3
7 1 21 VAL O 1 59 VAL N 3.300 2.800 3.300 2.779 2.751 2.811 0.049 11 0 "[ . 1 . 2]" 3
8 1 23 LEU H 1 57 ALA O 2.300 . 2.300 1.658 1.644 1.673 0.156 16 0 "[ . 1 . 2]" 3
9 1 23 LEU N 1 57 ALA O 2.300 . 2.300 2.637 2.622 2.654 0.354 9 0 "[ . 1 . 2]" 3
10 1 23 LEU O 1 57 ALA H 2.300 . 2.300 1.674 1.643 1.692 0.157 18 0 "[ . 1 . 2]" 3
11 1 23 LEU O 1 57 ALA N 2.300 . 2.300 2.595 2.567 2.612 0.312 12 0 "[ . 1 . 2]" 3
12 1 51 VAL H 1 56 ILE O 2.300 . 2.300 1.692 1.654 1.729 0.146 6 0 "[ . 1 . 2]" 3
13 1 51 VAL N 1 56 ILE O 2.300 . 2.300 2.569 2.550 2.584 0.284 12 0 "[ . 1 . 2]" 3
14 1 47 GLN O 1 60 HIS H 2.300 . 2.300 1.684 1.660 1.713 0.140 16 0 "[ . 1 . 2]" 3
15 1 47 GLN O 1 60 HIS N 2.300 . 2.300 2.610 2.588 2.623 0.323 8 0 "[ . 1 . 2]" 3
16 1 8 VAL O 1 11 ALA H 2.300 . 2.300 2.222 1.870 2.410 0.110 20 0 "[ . 1 . 2]" 3
17 1 9 LEU O 1 12 VAL H 2.300 . 2.300 2.084 1.746 2.332 0.054 15 0 "[ . 1 . 2]" 3
18 1 31 THR O 1 35 ILE N 3.300 2.800 3.300 3.404 3.370 3.423 0.123 5 0 "[ . 1 . 2]" 3
19 1 32 GLU O 1 36 ARG H 2.300 . 2.300 1.673 1.655 1.698 0.145 3 0 "[ . 1 . 2]" 3
20 1 32 GLU O 1 36 ARG N 3.300 2.800 3.300 2.644 2.615 2.655 0.185 18 0 "[ . 1 . 2]" 3
21 1 33 ASP O 1 37 GLU H 2.300 . 2.300 2.139 2.041 2.308 0.008 17 0 "[ . 1 . 2]" 3
22 1 33 ASP O 1 37 GLU N 3.300 2.800 3.300 3.094 3.005 3.265 . 0 0 "[ . 1 . 2]" 3
23 1 34 GLU O 1 38 ASP H 2.300 . 2.300 2.320 2.244 2.375 0.075 5 0 "[ . 1 . 2]" 3
24 1 34 GLU O 1 38 ASP N 3.300 2.800 3.300 3.039 2.970 3.101 . 0 0 "[ . 1 . 2]" 3
25 1 35 ILE O 1 39 LEU H 2.300 . 2.300 2.030 1.988 2.061 . 0 0 "[ . 1 . 2]" 3
26 1 35 ILE O 1 39 LEU N 3.300 2.800 3.300 2.763 2.738 2.787 0.062 17 0 "[ . 1 . 2]" 3
27 1 64 ILE O 1 68 ILE H 2.300 . 2.300 2.296 2.217 2.341 0.041 10 0 "[ . 1 . 2]" 3
28 1 64 ILE O 1 68 ILE N 3.300 2.800 3.300 3.217 3.138 3.268 . 0 0 "[ . 1 . 2]" 3
29 1 65 ALA O 1 69 LYS H 2.300 . 2.300 2.089 1.973 2.169 . 0 0 "[ . 1 . 2]" 3
30 1 65 ALA O 1 69 LYS N 3.300 2.800 3.300 3.066 2.952 3.145 . 0 0 "[ . 1 . 2]" 3
31 1 66 ALA O 1 70 ALA H 2.300 . 2.300 2.272 2.155 2.312 0.012 7 0 "[ . 1 . 2]" 3
32 1 66 ALA O 1 70 ALA N 3.300 2.800 3.300 3.180 3.071 3.220 . 0 0 "[ . 1 . 2]" 3
33 1 67 ALA O 1 71 VAL H 2.300 . 2.300 1.852 1.794 1.928 0.006 1 0 "[ . 1 . 2]" 3
34 1 67 ALA O 1 71 VAL N 3.300 2.800 3.300 2.817 2.762 2.891 0.038 1 0 "[ . 1 . 2]" 3
35 1 68 ILE O 1 72 GLN H 2.300 . 2.300 2.137 2.070 2.198 . 0 0 "[ . 1 . 2]" 3
36 1 68 ILE O 1 72 GLN N 3.300 2.800 3.300 2.941 2.886 3.025 . 0 0 "[ . 1 . 2]" 3
37 1 69 LYS O 1 73 GLU H 2.300 . 2.300 2.142 1.999 2.241 . 0 0 "[ . 1 . 2]" 3
38 1 69 LYS O 1 73 GLU N 3.300 2.800 3.300 2.808 2.750 2.879 0.050 16 0 "[ . 1 . 2]" 3
39 1 70 ALA O 1 74 LEU H 2.300 . 2.300 1.846 1.815 1.882 . 0 0 "[ . 1 . 2]" 3
40 1 70 ALA O 1 74 LEU N 3.300 2.800 3.300 2.769 2.744 2.794 0.056 11 0 "[ . 1 . 2]" 3
41 1 79 LYS O 1 82 LYS H 2.400 . 2.400 2.401 2.283 2.470 0.070 1 0 "[ . 1 . 2]" 3
42 1 79 LYS O 1 82 LYS N 3.400 2.900 3.400 3.244 3.107 3.343 . 0 0 "[ . 1 . 2]" 3
stop_
save_
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