NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
482979 |
1u34   |
cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1u34
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 661
_Distance_constraint_stats_list.Viol_count 1218
_Distance_constraint_stats_list.Viol_total 1396.323
_Distance_constraint_stats_list.Viol_max 1.524
_Distance_constraint_stats_list.Viol_rms 0.0349
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0053
_Distance_constraint_stats_list.Viol_average_violations_only 0.0573
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 2 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 3 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 6 GLU 0.003 0.003 10 0 "[ . 1 . 2]"
1 8 ALA 0.025 0.012 16 0 "[ . 1 . 2]"
1 10 ALA 0.246 0.110 13 0 "[ . 1 . 2]"
1 11 LYS 0.246 0.110 13 0 "[ . 1 . 2]"
1 12 PHE 0.017 0.006 9 0 "[ . 1 . 2]"
1 13 GLU 0.169 0.131 14 0 "[ . 1 . 2]"
1 14 ARG 0.169 0.131 14 0 "[ . 1 . 2]"
1 15 GLN 1.640 0.095 17 0 "[ . 1 . 2]"
1 16 HIS 2.058 0.170 12 0 "[ . 1 . 2]"
1 17 MET 0.136 0.041 14 0 "[ . 1 . 2]"
1 18 ASP 0.484 0.121 8 0 "[ . 1 . 2]"
1 19 SER 0.356 0.121 8 0 "[ . 1 . 2]"
1 20 PRO 1.079 0.263 18 0 "[ . 1 . 2]"
1 21 ASP 1.660 0.263 18 0 "[ . 1 . 2]"
1 22 LEU 0.738 0.261 18 0 "[ . 1 . 2]"
1 23 GLY 0.805 0.340 20 0 "[ . 1 . 2]"
1 24 THR 0.146 0.103 19 0 "[ . 1 . 2]"
1 25 THR 0.329 0.103 19 0 "[ . 1 . 2]"
1 26 LEU 1.254 0.340 20 0 "[ . 1 . 2]"
1 27 LEU 0.947 0.265 2 0 "[ . 1 . 2]"
1 28 GLU 1.503 0.265 2 0 "[ . 1 . 2]"
1 29 GLN 0.497 0.095 19 0 "[ . 1 . 2]"
1 30 TYR 0.079 0.029 12 0 "[ . 1 . 2]"
1 31 CYS 0.505 0.154 7 0 "[ . 1 . 2]"
1 32 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
1 33 ARG 1.731 0.325 7 0 "[ . 1 . 2]"
1 34 THR 1.229 0.325 7 0 "[ . 1 . 2]"
1 35 THR 5.310 0.922 2 4 "[-+ . * . *]"
1 36 ILE 12.247 1.524 18 8 "[** . ** * . +-*]"
1 37 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 38 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 39 PHE 0.042 0.017 10 0 "[ . 1 . 2]"
1 40 SER 7.143 1.524 18 6 "[ * . ** * . +-2]"
1 41 GLY 0.355 0.108 14 0 "[ . 1 . 2]"
1 42 PRO 2.530 0.447 13 0 "[ . 1 . 2]"
1 43 TYR 3.641 0.447 13 0 "[ . 1 . 2]"
1 44 THR 1.308 0.359 14 0 "[ . 1 . 2]"
1 45 TYR 1.121 0.106 18 0 "[ . 1 . 2]"
1 46 CYS 2.592 0.122 11 0 "[ . 1 . 2]"
1 47 ASN 0.292 0.143 11 0 "[ . 1 . 2]"
1 48 THR 1.495 0.134 17 0 "[ . 1 . 2]"
1 49 THR 0.701 0.092 11 0 "[ . 1 . 2]"
1 50 LEU 1.021 0.182 20 0 "[ . 1 . 2]"
1 51 ASP 0.626 0.082 20 0 "[ . 1 . 2]"
1 52 GLN 1.135 0.359 20 0 "[ . 1 . 2]"
1 53 ILE 1.383 0.165 20 0 "[ . 1 . 2]"
1 54 GLY 1.331 0.359 20 0 "[ . 1 . 2]"
1 55 THR 2.024 0.251 17 0 "[ . 1 . 2]"
1 56 CYS 1.688 0.251 17 0 "[ . 1 . 2]"
1 57 TRP 1.385 0.134 17 0 "[ . 1 . 2]"
1 58 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 59 GLN 1.668 0.203 12 0 "[ . 1 . 2]"
1 60 SER 1.769 0.203 12 0 "[ . 1 . 2]"
1 61 ALA 0.365 0.072 20 0 "[ . 1 . 2]"
1 62 PRO 0.575 0.182 18 0 "[ . 1 . 2]"
1 63 GLY 1.975 0.142 18 0 "[ . 1 . 2]"
1 64 ALA 0.856 0.210 20 0 "[ . 1 . 2]"
1 65 LEU 1.272 0.210 20 0 "[ . 1 . 2]"
1 66 VAL 2.038 0.237 13 0 "[ . 1 . 2]"
1 67 GLU 0.498 0.093 19 0 "[ . 1 . 2]"
1 68 ARG 1.496 0.156 6 0 "[ . 1 . 2]"
1 69 PRO 0.213 0.069 5 0 "[ . 1 . 2]"
1 70 CYS 2.722 0.154 17 0 "[ . 1 . 2]"
1 71 PRO 0.627 0.206 6 0 "[ . 1 . 2]"
1 72 GLU 0.304 0.174 14 0 "[ . 1 . 2]"
1 73 TYR 0.786 0.357 15 0 "[ . 1 . 2]"
1 74 PHE 0.832 0.296 19 0 "[ . 1 . 2]"
1 75 ASN 0.741 0.152 15 0 "[ . 1 . 2]"
1 76 GLY 0.445 0.277 17 0 "[ . 1 . 2]"
1 77 ILE 2.782 0.280 13 0 "[ . 1 . 2]"
1 78 LYS 0.906 0.117 14 0 "[ . 1 . 2]"
1 79 TYR 0.994 0.168 16 0 "[ . 1 . 2]"
1 80 ASN 1.007 0.206 6 0 "[ . 1 . 2]"
1 81 THR 0.396 0.093 14 0 "[ . 1 . 2]"
1 82 THR 0.412 0.128 3 0 "[ . 1 . 2]"
1 83 ARG 1.191 0.273 10 0 "[ . 1 . 2]"
1 84 ASN 1.891 0.273 10 0 "[ . 1 . 2]"
1 85 ALA 1.778 0.140 15 0 "[ . 1 . 2]"
1 86 TYR 1.125 0.170 6 0 "[ . 1 . 2]"
1 87 ARG 2.593 0.410 19 0 "[ . 1 . 2]"
1 88 GLU 0.994 0.194 20 0 "[ . 1 . 2]"
1 89 CYS 1.864 0.133 13 0 "[ . 1 . 2]"
1 90 LEU 1.336 0.073 18 0 "[ . 1 . 2]"
1 91 GLU 1.132 0.106 16 0 "[ . 1 . 2]"
1 92 ASN 1.776 0.106 16 0 "[ . 1 . 2]"
1 93 GLY 1.511 0.182 18 0 "[ . 1 . 2]"
1 94 THR 0.474 0.086 18 0 "[ . 1 . 2]"
1 95 TRP 2.575 0.178 19 0 "[ . 1 . 2]"
1 96 ALA 1.464 0.142 16 0 "[ . 1 . 2]"
1 98 ARG 0.248 0.070 4 0 "[ . 1 . 2]"
1 99 VAL 3.067 0.410 19 0 "[ . 1 . 2]"
1 100 ASN 1.411 0.144 14 0 "[ . 1 . 2]"
1 101 TYR 2.473 0.242 12 0 "[ . 1 . 2]"
1 102 SER 0.688 0.193 13 0 "[ . 1 . 2]"
1 103 HIS 1.374 0.146 11 0 "[ . 1 . 2]"
1 104 CYS 2.948 0.180 9 0 "[ . 1 . 2]"
1 105 GLU 0.249 0.116 16 0 "[ . 1 . 2]"
1 106 PRO 0.256 0.070 17 0 "[ . 1 . 2]"
1 107 ILE 1.590 0.296 19 0 "[ . 1 . 2]"
1 108 LEU 0.438 0.127 6 0 "[ . 1 . 2]"
1 109 ASP 0.034 0.020 7 0 "[ . 1 . 2]"
1 110 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 111 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 112 GLN 0.536 0.194 14 0 "[ . 1 . 2]"
1 113 ARG 0.308 0.155 12 0 "[ . 1 . 2]"
1 114 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 115 TYR 0.233 0.146 10 0 "[ . 1 . 2]"
1 116 ASP 0.233 0.146 10 0 "[ . 1 . 2]"
1 117 LEU 0.235 0.210 10 0 "[ . 1 . 2]"
1 118 HIS 0.275 0.210 10 0 "[ . 1 . 2]"
1 119 TYR 0.233 0.117 9 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 2 SER HB3 1 3 GLY H . . 4.570 3.406 2.183 4.547 . 0 0 "[ . 1 . 2]" 1
2 1 6 GLU HA 1 6 GLU HG3 . . 4.110 3.154 2.010 4.113 0.003 10 0 "[ . 1 . 2]" 1
3 1 8 ALA H 1 8 ALA HA . . 2.930 2.767 2.211 2.942 0.012 16 0 "[ . 1 . 2]" 1
4 1 10 ALA HA 1 11 LYS H . . 3.360 2.568 2.186 3.470 0.110 13 0 "[ . 1 . 2]" 1
5 1 11 LYS HA 1 12 PHE H . . 2.930 2.382 2.178 2.889 . 0 0 "[ . 1 . 2]" 1
6 1 11 LYS HB3 1 12 PHE QE . . 7.620 6.756 5.804 7.522 . 0 0 "[ . 1 . 2]" 1
7 1 12 PHE H 1 12 PHE HA . . 2.930 2.860 2.708 2.936 0.006 9 0 "[ . 1 . 2]" 1
8 1 13 GLU H 1 14 ARG H . . 4.630 4.306 3.585 4.660 0.030 5 0 "[ . 1 . 2]" 1
9 1 13 GLU HA 1 14 ARG H . . 3.390 2.494 2.205 3.521 0.131 14 0 "[ . 1 . 2]" 1
10 1 14 ARG HA 1 15 GLN H . . 3.170 2.498 2.227 3.086 . 0 0 "[ . 1 . 2]" 1
11 1 15 GLN H 1 15 GLN HB3 . . 3.110 2.869 2.528 3.127 0.017 19 0 "[ . 1 . 2]" 1
12 1 15 GLN HA 1 16 HIS H . . 3.550 3.631 3.574 3.645 0.095 17 0 "[ . 1 . 2]" 1
13 1 16 HIS HA 1 16 HIS HD2 . . 3.890 3.374 2.458 4.060 0.170 12 0 "[ . 1 . 2]" 1
14 1 16 HIS HA 1 17 MET H . . 2.930 2.500 2.188 2.933 0.003 12 0 "[ . 1 . 2]" 1
15 1 16 HIS HD2 1 17 MET HA . . 4.510 3.964 2.934 4.542 0.032 13 0 "[ . 1 . 2]" 1
16 1 17 MET H 1 18 ASP H . . 4.450 3.627 1.921 4.472 0.022 16 0 "[ . 1 . 2]" 1
17 1 17 MET HB3 1 18 ASP H . . 4.600 3.672 2.224 4.641 0.041 14 0 "[ . 1 . 2]" 1
18 1 18 ASP H 1 18 ASP HB3 . . 3.610 3.381 2.634 3.626 0.016 13 0 "[ . 1 . 2]" 1
19 1 18 ASP HA 1 19 SER H . . 2.960 2.526 2.252 3.081 0.121 8 0 "[ . 1 . 2]" 1
20 1 18 ASP HB3 1 19 SER H . . 4.110 3.593 2.781 4.168 0.058 5 0 "[ . 1 . 2]" 1
21 1 20 PRO HA 1 21 ASP H . . 3.110 2.756 2.471 2.787 . 0 0 "[ . 1 . 2]" 1
22 1 20 PRO HB3 1 21 ASP H . . 3.550 3.122 3.097 3.357 . 0 0 "[ . 1 . 2]" 1
23 1 20 PRO HD3 1 21 ASP H . . 5.500 5.554 5.531 5.763 0.263 18 0 "[ . 1 . 2]" 1
24 1 21 ASP H 1 22 LEU H . . 5.500 4.431 3.627 4.675 . 0 0 "[ . 1 . 2]" 1
25 1 21 ASP HA 1 22 LEU H . . 2.900 2.430 2.257 3.161 0.261 18 0 "[ . 1 . 2]" 1
26 1 21 ASP HB3 1 22 LEU H . . 4.010 3.378 2.042 4.155 0.145 16 0 "[ . 1 . 2]" 1
27 1 22 LEU H 1 22 LEU HG . . 4.570 4.042 2.620 4.542 . 0 0 "[ . 1 . 2]" 1
28 1 22 LEU H 1 23 GLY H . . 3.450 2.992 1.976 3.454 0.004 11 0 "[ . 1 . 2]" 1
29 1 22 LEU HA 1 22 LEU HG . . 3.140 2.395 2.068 3.012 . 0 0 "[ . 1 . 2]" 1
30 1 22 LEU HA 1 23 GLY H . . 3.610 3.070 2.220 3.639 0.029 12 0 "[ . 1 . 2]" 1
31 1 22 LEU QD 1 23 GLY QA . . 8.510 4.254 2.698 4.966 . 0 0 "[ . 1 . 2]" 1
32 1 23 GLY H 1 24 THR H . . 5.000 3.353 2.020 4.653 . 0 0 "[ . 1 . 2]" 1
33 1 23 GLY QA 1 26 LEU H . . 5.600 5.443 3.389 5.940 0.340 20 0 "[ . 1 . 2]" 1
34 1 24 THR HA 1 24 THR MG . . 3.430 2.656 2.138 3.245 . 0 0 "[ . 1 . 2]" 1
35 1 24 THR HA 1 25 THR H . . 3.300 2.851 2.169 3.403 0.103 19 0 "[ . 1 . 2]" 1
36 1 24 THR MG 1 25 THR H . . 6.530 3.487 1.910 4.413 . 0 0 "[ . 1 . 2]" 1
37 1 25 THR HA 1 26 LEU H . . 3.500 2.600 2.156 3.221 . 0 0 "[ . 1 . 2]" 1
38 1 25 THR MG 1 26 LEU H . . 4.820 3.299 1.896 4.267 . 0 0 "[ . 1 . 2]" 1
39 1 25 THR MG 1 29 GLN HE21 . . 6.530 5.215 2.625 6.576 0.046 20 0 "[ . 1 . 2]" 1
40 1 25 THR MG 1 29 GLN HE22 . . 6.530 4.947 2.347 6.599 0.069 20 0 "[ . 1 . 2]" 1
41 1 25 THR MG 1 30 TYR QD . . 8.670 7.751 6.029 8.699 0.029 12 0 "[ . 1 . 2]" 1
42 1 25 THR MG 1 30 TYR QE . . 8.660 7.724 5.513 8.667 0.007 10 0 "[ . 1 . 2]" 1
43 1 26 LEU H 1 26 LEU HB3 . . 4.040 3.085 2.332 4.061 0.021 9 0 "[ . 1 . 2]" 1
44 1 26 LEU H 1 26 LEU HG . . 3.400 2.711 1.893 3.388 . 0 0 "[ . 1 . 2]" 1
45 1 26 LEU H 1 27 LEU H . . 5.500 3.990 2.097 4.671 . 0 0 "[ . 1 . 2]" 1
46 1 26 LEU HA 1 27 LEU H . . 3.610 2.799 2.177 3.639 0.029 11 0 "[ . 1 . 2]" 1
47 1 26 LEU HB3 1 27 LEU H . . 5.500 3.653 1.898 4.433 . 0 0 "[ . 1 . 2]" 1
48 1 26 LEU HB3 1 29 GLN H . . 5.500 5.072 3.946 5.512 0.012 19 0 "[ . 1 . 2]" 1
49 1 26 LEU HB3 1 29 GLN HE21 . . 7.250 5.544 2.071 7.206 . 0 0 "[ . 1 . 2]" 1
50 1 26 LEU HB3 1 29 GLN HE22 . . 7.250 5.651 1.925 7.253 0.003 15 0 "[ . 1 . 2]" 1
51 1 26 LEU QD 1 28 GLU H . . 7.140 3.238 1.910 4.544 . 0 0 "[ . 1 . 2]" 1
52 1 26 LEU QD 1 29 GLN H . . 7.630 3.108 1.893 4.874 . 0 0 "[ . 1 . 2]" 1
53 1 26 LEU QD 1 29 GLN HE21 . . 7.630 3.088 2.015 4.639 . 0 0 "[ . 1 . 2]" 1
54 1 26 LEU QD 1 29 GLN HE22 . . 7.630 3.131 1.730 4.982 . 0 0 "[ . 1 . 2]" 1
55 1 26 LEU QD 1 30 TYR QD . . 9.770 5.302 2.029 7.659 . 0 0 "[ . 1 . 2]" 1
56 1 26 LEU QD 1 30 TYR QE . . 9.760 5.883 1.922 8.968 . 0 0 "[ . 1 . 2]" 1
57 1 26 LEU HG 1 27 LEU H . . 4.720 3.845 1.916 4.732 0.012 10 0 "[ . 1 . 2]" 1
58 1 26 LEU HG 1 28 GLU H . . 4.420 3.813 2.202 4.589 0.169 9 0 "[ . 1 . 2]" 1
59 1 26 LEU HG 1 29 GLN H . . 5.500 3.807 2.532 5.456 . 0 0 "[ . 1 . 2]" 1
60 1 26 LEU HG 1 29 GLN HE21 . . 5.500 3.889 2.541 5.498 . 0 0 "[ . 1 . 2]" 1
61 1 26 LEU HG 1 29 GLN HE22 . . 5.500 4.117 2.774 5.517 0.017 18 0 "[ . 1 . 2]" 1
62 1 27 LEU H 1 27 LEU HG . . 2.900 2.397 1.975 3.003 0.103 2 0 "[ . 1 . 2]" 1
63 1 27 LEU H 1 28 GLU H . . 2.900 2.476 1.893 3.003 0.103 2 0 "[ . 1 . 2]" 1
64 1 27 LEU HA 1 28 GLU H . . 3.240 3.079 2.425 3.288 0.048 18 0 "[ . 1 . 2]" 1
65 1 27 LEU QD 1 30 TYR QE . . 9.360 7.433 3.563 9.315 . 0 0 "[ . 1 . 2]" 1
66 1 27 LEU HG 1 28 GLU H . . 4.420 4.090 3.279 4.685 0.265 2 0 "[ . 1 . 2]" 1
67 1 28 GLU H 1 29 GLN H . . 3.950 2.527 2.104 3.149 . 0 0 "[ . 1 . 2]" 1
68 1 28 GLU H 1 50 LEU QD . . 7.630 4.882 2.604 7.643 0.013 19 0 "[ . 1 . 2]" 1
69 1 28 GLU HA 1 29 GLN H . . 3.110 2.957 2.585 3.205 0.095 19 0 "[ . 1 . 2]" 1
70 1 29 GLN H 1 29 GLN HA . . 3.000 2.531 2.175 2.802 . 0 0 "[ . 1 . 2]" 1
71 1 29 GLN HA 1 30 TYR QD . . 7.640 4.282 3.047 5.251 . 0 0 "[ . 1 . 2]" 1
72 1 30 TYR QE 1 50 LEU QD . . 9.760 7.420 4.529 9.770 0.010 14 0 "[ . 1 . 2]" 1
73 1 31 CYS CB 1 56 CYS SG . . 3.100 3.076 2.985 3.254 0.154 7 0 "[ . 1 . 2]" 1
74 1 31 CYS SG 1 56 CYS CB . . 3.100 3.089 2.987 3.143 0.043 20 0 "[ . 1 . 2]" 1
75 1 31 CYS SG 1 56 CYS SG . . 2.100 2.017 1.953 2.113 0.013 3 0 "[ . 1 . 2]" 1
76 1 32 HIS HA 1 32 HIS HD2 . . 4.880 3.223 2.086 4.619 . 0 0 "[ . 1 . 2]" 1
77 1 32 HIS HD2 1 33 ARG HG3 . . 4.700 4.316 3.538 4.537 . 0 0 "[ . 1 . 2]" 1
78 1 33 ARG H 1 33 ARG HG3 . . 5.220 3.581 2.361 4.562 . 0 0 "[ . 1 . 2]" 1
79 1 33 ARG H 1 34 THR H . . 3.140 2.682 1.943 3.259 0.119 10 0 "[ . 1 . 2]" 1
80 1 33 ARG HA 1 33 ARG HE . . 5.500 5.007 3.947 5.681 0.181 4 0 "[ . 1 . 2]" 1
81 1 33 ARG HA 1 34 THR MG . . 4.390 3.922 3.177 4.701 0.311 10 0 "[ . 1 . 2]" 1
82 1 33 ARG HG3 1 34 THR H . . 3.980 3.021 1.889 4.305 0.325 7 0 "[ . 1 . 2]" 1
83 1 33 ARG HG3 1 35 THR MG . . 4.570 3.913 2.181 4.662 0.092 18 0 "[ . 1 . 2]" 1
84 1 33 ARG HG3 1 45 TYR QD . . 7.640 7.103 5.662 7.723 0.083 14 0 "[ . 1 . 2]" 1
85 1 33 ARG HG3 1 45 TYR QE . . 7.630 6.138 4.120 7.638 0.008 16 0 "[ . 1 . 2]" 1
86 1 34 THR H 1 34 THR HA . . 2.930 2.501 2.223 2.862 . 0 0 "[ . 1 . 2]" 1
87 1 35 THR HA 1 35 THR HB . . 2.800 2.550 2.354 2.788 . 0 0 "[ . 1 . 2]" 1
88 1 35 THR HA 1 36 ILE H . . 2.900 2.493 2.158 2.939 0.039 6 0 "[ . 1 . 2]" 1
89 1 35 THR HB 1 36 ILE H . . 5.500 3.925 2.032 4.729 . 0 0 "[ . 1 . 2]" 1
90 1 35 THR HB 1 36 ILE MD . . 6.530 6.184 4.618 7.452 0.922 2 4 "[-+ . * . *]" 1
91 1 35 THR MG 1 36 ILE H . . 6.530 3.634 1.880 4.450 . 0 0 "[ . 1 . 2]" 1
92 1 35 THR MG 1 39 PHE QD . . 8.650 5.836 3.184 7.439 . 0 0 "[ . 1 . 2]" 1
93 1 35 THR MG 1 39 PHE QE . . 8.530 6.861 3.803 8.541 0.011 2 0 "[ . 1 . 2]" 1
94 1 35 THR MG 1 40 SER HA . . 4.880 4.518 2.659 4.995 0.115 11 0 "[ . 1 . 2]" 1
95 1 36 ILE H 1 36 ILE HB . . 4.000 2.822 1.985 3.429 . 0 0 "[ . 1 . 2]" 1
96 1 36 ILE H 1 36 ILE MD . . 5.160 4.063 2.455 4.966 . 0 0 "[ . 1 . 2]" 1
97 1 36 ILE H 1 36 ILE HG13 . . 5.220 3.603 1.906 4.722 . 0 0 "[ . 1 . 2]" 1
98 1 36 ILE HA 1 36 ILE MD . . 4.330 3.572 1.829 4.105 . 0 0 "[ . 1 . 2]" 1
99 1 36 ILE HA 1 36 ILE HG13 . . 3.750 2.534 1.948 3.550 . 0 0 "[ . 1 . 2]" 1
100 1 36 ILE HB 1 36 ILE MD . . 3.580 2.304 1.936 3.196 . 0 0 "[ . 1 . 2]" 1
101 1 36 ILE HB 1 42 PRO HD3 . . 3.790 3.338 2.227 3.906 0.116 7 0 "[ . 1 . 2]" 1
102 1 36 ILE MD 1 39 PHE QD . . 8.370 7.427 4.869 8.387 0.017 10 0 "[ . 1 . 2]" 1
103 1 36 ILE MD 1 40 SER HA . . 6.530 5.967 1.956 8.054 1.524 18 6 "[ * . ** * . +-2]" 1
104 1 36 ILE MD 1 43 TYR QE . . 8.660 5.546 2.153 8.550 . 0 0 "[ . 1 . 2]" 1
105 1 36 ILE MG 1 37 GLY H . . 6.310 3.175 1.795 4.395 . 0 0 "[ . 1 . 2]" 1
106 1 36 ILE MG 1 43 TYR QE . . 7.980 6.477 2.971 8.133 0.153 9 0 "[ . 1 . 2]" 1
107 1 38 ASN HA 1 38 ASN HD22 . . 5.130 4.311 3.649 5.104 . 0 0 "[ . 1 . 2]" 1
108 1 39 PHE QD 1 40 SER HA . . 7.620 4.996 3.884 6.314 . 0 0 "[ . 1 . 2]" 1
109 1 40 SER HA 1 41 GLY H . . 3.580 2.644 2.217 3.643 0.063 10 0 "[ . 1 . 2]" 1
110 1 41 GLY QA 1 43 TYR H . . 5.880 4.659 4.115 5.988 0.108 14 0 "[ . 1 . 2]" 1
111 1 42 PRO HB3 1 43 TYR H . . 3.730 3.599 3.074 3.818 0.088 6 0 "[ . 1 . 2]" 1
112 1 42 PRO HD3 1 43 TYR H . . 5.500 4.339 3.908 5.715 0.215 14 0 "[ . 1 . 2]" 1
113 1 42 PRO HD3 1 43 TYR HB3 . . 7.250 6.485 5.227 7.697 0.447 13 0 "[ . 1 . 2]" 1
114 1 43 TYR H 1 43 TYR HB3 . . 3.480 2.941 2.192 3.541 0.061 11 0 "[ . 1 . 2]" 1
115 1 43 TYR H 1 45 TYR H . . 5.750 5.300 3.759 5.852 0.102 12 0 "[ . 1 . 2]" 1
116 1 43 TYR HA 1 43 TYR HB3 . . 3.050 2.718 2.336 3.085 0.035 10 0 "[ . 1 . 2]" 1
117 1 43 TYR HA 1 44 THR H . . 3.020 2.675 2.260 3.101 0.081 9 0 "[ . 1 . 2]" 1
118 1 43 TYR HB3 1 44 THR H . . 3.790 3.359 1.916 3.941 0.151 8 0 "[ . 1 . 2]" 1
119 1 43 TYR QE 1 60 SER H . . 7.630 7.002 5.790 7.693 0.063 9 0 "[ . 1 . 2]" 1
120 1 44 THR H 1 44 THR HB . . 3.450 2.900 2.290 3.809 0.359 14 0 "[ . 1 . 2]" 1
121 1 44 THR H 1 45 TYR H . . 4.480 3.174 1.771 4.477 . 0 0 "[ . 1 . 2]" 1
122 1 44 THR HA 1 45 TYR H . . 3.600 2.711 2.150 3.514 . 0 0 "[ . 1 . 2]" 1
123 1 44 THR HA 1 45 TYR QD . . 7.640 4.724 3.071 6.045 . 0 0 "[ . 1 . 2]" 1
124 1 44 THR HB 1 45 TYR H . . 4.570 4.255 3.297 4.676 0.106 18 0 "[ . 1 . 2]" 1
125 1 44 THR MG 1 45 TYR H . . 4.700 3.988 2.928 4.398 . 0 0 "[ . 1 . 2]" 1
126 1 44 THR MG 1 45 TYR QE . . 8.660 6.320 4.368 7.672 . 0 0 "[ . 1 . 2]" 1
127 1 44 THR MG 1 92 ASN H . . 6.530 5.890 4.544 6.577 0.047 7 0 "[ . 1 . 2]" 1
128 1 44 THR MG 1 93 GLY HA2 . . 6.370 4.437 2.958 5.833 . 0 0 "[ . 1 . 2]" 1
129 1 44 THR MG 1 93 GLY HA3 . . 6.370 3.357 2.100 4.651 . 0 0 "[ . 1 . 2]" 1
130 1 45 TYR H 1 45 TYR HB3 . . 3.610 2.911 2.186 3.355 . 0 0 "[ . 1 . 2]" 1
131 1 45 TYR H 1 46 CYS H . . 4.570 4.501 4.208 4.611 0.041 1 0 "[ . 1 . 2]" 1
132 1 45 TYR H 1 61 ALA MB . . 6.530 6.472 6.177 6.588 0.058 20 0 "[ . 1 . 2]" 1
133 1 45 TYR HA 1 46 CYS H . . 3.210 2.462 2.276 2.661 . 0 0 "[ . 1 . 2]" 1
134 1 45 TYR HA 1 61 ALA HA . . 4.110 3.335 2.560 4.120 0.010 8 0 "[ . 1 . 2]" 1
135 1 45 TYR HA 1 93 GLY QA . . 5.420 3.002 2.139 3.828 . 0 0 "[ . 1 . 2]" 1
136 1 45 TYR HB3 1 46 CYS H . . 4.070 3.614 2.675 4.155 0.085 14 0 "[ . 1 . 2]" 1
137 1 45 TYR QD 1 46 CYS H . . 6.900 3.500 2.700 4.076 . 0 0 "[ . 1 . 2]" 1
138 1 45 TYR QD 1 46 CYS HA . . 7.640 4.699 3.415 5.872 . 0 0 "[ . 1 . 2]" 1
139 1 45 TYR QD 1 48 THR H . . 7.640 6.381 5.525 7.697 0.057 11 0 "[ . 1 . 2]" 1
140 1 45 TYR QD 1 61 ALA H . . 7.640 5.332 4.095 6.429 . 0 0 "[ . 1 . 2]" 1
141 1 45 TYR QD 1 61 ALA HA . . 7.640 3.726 1.998 4.927 . 0 0 "[ . 1 . 2]" 1
142 1 45 TYR QD 1 61 ALA MB . . 8.670 4.354 2.574 5.564 . 0 0 "[ . 1 . 2]" 1
143 1 45 TYR QD 1 94 THR MG . . 8.670 7.759 6.738 8.619 . 0 0 "[ . 1 . 2]" 1
144 1 45 TYR QE 1 61 ALA MB . . 7.950 5.059 1.815 7.304 . 0 0 "[ . 1 . 2]" 1
145 1 46 CYS CB 1 89 CYS SG . . 3.100 3.111 2.989 3.222 0.122 11 0 "[ . 1 . 2]" 1
146 1 46 CYS H 1 46 CYS HB3 . . 3.520 3.557 3.529 3.608 0.088 19 0 "[ . 1 . 2]" 1
147 1 46 CYS H 1 47 ASN H . . 5.500 4.608 4.540 4.666 . 0 0 "[ . 1 . 2]" 1
148 1 46 CYS H 1 60 SER H . . 4.040 3.408 2.517 4.073 0.033 12 0 "[ . 1 . 2]" 1
149 1 46 CYS H 1 62 PRO HD3 . . 5.500 3.433 2.776 4.162 . 0 0 "[ . 1 . 2]" 1
150 1 46 CYS HA 1 47 ASN H . . 3.140 2.314 2.232 2.479 . 0 0 "[ . 1 . 2]" 1
151 1 46 CYS HA 1 60 SER H . . 4.320 4.261 3.965 4.437 0.117 15 0 "[ . 1 . 2]" 1
152 1 46 CYS HA 1 95 TRP HE1 . . 5.500 4.971 3.668 5.519 0.019 15 0 "[ . 1 . 2]" 1
153 1 46 CYS HB3 1 47 ASN H . . 4.010 3.056 2.547 3.436 . 0 0 "[ . 1 . 2]" 1
154 1 46 CYS HB3 1 60 SER H . . 5.500 3.568 2.918 4.110 . 0 0 "[ . 1 . 2]" 1
155 1 46 CYS HB3 1 89 CYS HB3 . . 5.800 5.054 4.811 5.339 . 0 0 "[ . 1 . 2]" 1
156 1 46 CYS HB3 1 95 TRP HE1 . . 4.910 3.418 2.700 3.936 . 0 0 "[ . 1 . 2]" 1
157 1 46 CYS SG 1 89 CYS CB . . 3.100 3.106 2.998 3.208 0.108 16 0 "[ . 1 . 2]" 1
158 1 46 CYS SG 1 89 CYS SG . . 2.100 2.002 1.913 2.090 . 0 0 "[ . 1 . 2]" 1
159 1 47 ASN H 1 47 ASN HB3 . . 2.900 2.586 2.327 2.947 0.047 19 0 "[ . 1 . 2]" 1
160 1 47 ASN H 1 48 THR H . . 5.500 4.513 4.318 4.614 . 0 0 "[ . 1 . 2]" 1
161 1 47 ASN H 1 59 GLN HA . . 4.750 4.218 3.640 4.602 . 0 0 "[ . 1 . 2]" 1
162 1 47 ASN H 1 60 SER H . . 5.500 4.523 4.135 4.860 . 0 0 "[ . 1 . 2]" 1
163 1 47 ASN H 1 95 TRP HD1 . . 5.500 4.171 3.482 4.707 . 0 0 "[ . 1 . 2]" 1
164 1 47 ASN H 1 95 TRP HE1 . . 4.140 3.760 2.721 4.185 0.045 11 0 "[ . 1 . 2]" 1
165 1 47 ASN HA 1 48 THR H . . 2.900 2.595 2.420 2.869 . 0 0 "[ . 1 . 2]" 1
166 1 47 ASN HA 1 59 GLN H . . 5.200 4.556 4.048 4.824 . 0 0 "[ . 1 . 2]" 1
167 1 47 ASN HA 1 60 SER H . . 4.450 3.942 2.917 4.593 0.143 11 0 "[ . 1 . 2]" 1
168 1 47 ASN HB3 1 48 THR H . . 3.920 3.354 2.398 3.942 0.022 13 0 "[ . 1 . 2]" 1
169 1 48 THR H 1 48 THR HB . . 2.710 2.477 2.002 2.751 0.041 20 0 "[ . 1 . 2]" 1
170 1 48 THR H 1 48 THR MG . . 4.610 2.712 1.994 3.685 . 0 0 "[ . 1 . 2]" 1
171 1 48 THR H 1 49 THR H . . 4.540 4.539 4.389 4.632 0.092 11 0 "[ . 1 . 2]" 1
172 1 48 THR H 1 59 GLN H . . 4.110 3.760 3.207 4.060 . 0 0 "[ . 1 . 2]" 1
173 1 48 THR HA 1 49 THR H . . 3.750 2.179 2.151 2.276 . 0 0 "[ . 1 . 2]" 1
174 1 48 THR HA 1 57 TRP H . . 4.540 4.455 4.135 4.674 0.134 17 0 "[ . 1 . 2]" 1
175 1 48 THR HA 1 58 PRO HA . . 4.100 3.355 2.825 3.678 . 0 0 "[ . 1 . 2]" 1
176 1 48 THR HA 1 59 GLN H . . 3.270 2.847 1.903 3.379 0.109 14 0 "[ . 1 . 2]" 1
177 1 48 THR HA 1 95 TRP HE1 . . 5.500 3.526 2.728 4.408 . 0 0 "[ . 1 . 2]" 1
178 1 48 THR HA 1 95 TRP HZ2 . . 4.850 4.600 3.759 4.897 0.047 12 0 "[ . 1 . 2]" 1
179 1 48 THR HB 1 49 THR H . . 5.500 4.378 4.178 4.634 . 0 0 "[ . 1 . 2]" 1
180 1 48 THR MG 1 49 THR H . . 4.080 3.519 2.724 4.091 0.011 17 0 "[ . 1 . 2]" 1
181 1 48 THR MG 1 57 TRP H . . 6.280 5.015 3.274 6.248 . 0 0 "[ . 1 . 2]" 1
182 1 48 THR MG 1 58 PRO HA . . 4.500 3.583 2.209 4.162 . 0 0 "[ . 1 . 2]" 1
183 1 48 THR MG 1 59 GLN H . . 4.950 3.781 3.229 4.384 . 0 0 "[ . 1 . 2]" 1
184 1 49 THR H 1 49 THR HB . . 3.480 3.072 2.578 3.455 . 0 0 "[ . 1 . 2]" 1
185 1 49 THR H 1 49 THR MG . . 4.200 3.235 2.535 3.936 . 0 0 "[ . 1 . 2]" 1
186 1 49 THR H 1 50 LEU H . . 4.790 4.347 4.257 4.442 . 0 0 "[ . 1 . 2]" 1
187 1 49 THR H 1 57 TRP H . . 5.500 3.052 2.766 3.365 . 0 0 "[ . 1 . 2]" 1
188 1 49 THR H 1 59 GLN H . . 5.500 4.788 3.598 5.497 . 0 0 "[ . 1 . 2]" 1
189 1 49 THR H 1 95 TRP HE1 . . 5.500 3.574 2.936 4.023 . 0 0 "[ . 1 . 2]" 1
190 1 49 THR HA 1 49 THR HB . . 2.990 2.808 2.558 3.066 0.076 9 0 "[ . 1 . 2]" 1
191 1 49 THR HA 1 50 LEU H . . 2.870 2.408 2.199 2.582 . 0 0 "[ . 1 . 2]" 1
192 1 49 THR HB 1 50 LEU H . . 4.170 4.100 3.946 4.202 0.032 6 0 "[ . 1 . 2]" 1
193 1 49 THR HB 1 95 TRP HD1 . . 4.540 3.809 2.232 4.564 0.024 6 0 "[ . 1 . 2]" 1
194 1 49 THR HB 1 95 TRP HE1 . . 4.630 3.934 2.711 4.647 0.017 5 0 "[ . 1 . 2]" 1
195 1 49 THR MG 1 50 LEU H . . 6.310 2.533 1.923 3.561 . 0 0 "[ . 1 . 2]" 1
196 1 49 THR MG 1 51 ASP H . . 6.530 4.308 3.590 5.151 . 0 0 "[ . 1 . 2]" 1
197 1 49 THR MG 1 57 TRP H . . 5.230 4.442 3.580 5.119 . 0 0 "[ . 1 . 2]" 1
198 1 49 THR MG 1 57 TRP HD1 . . 6.060 4.161 2.687 6.066 0.006 14 0 "[ . 1 . 2]" 1
199 1 49 THR MG 1 95 TRP HD1 . . 4.480 2.962 2.121 4.085 . 0 0 "[ . 1 . 2]" 1
200 1 49 THR MG 1 95 TRP HE1 . . 5.130 3.662 1.908 4.789 . 0 0 "[ . 1 . 2]" 1
201 1 49 THR MG 1 95 TRP HZ2 . . 6.430 5.667 3.829 6.447 0.017 7 0 "[ . 1 . 2]" 1
202 1 50 LEU H 1 50 LEU HB3 . . 4.040 3.107 2.556 3.606 . 0 0 "[ . 1 . 2]" 1
203 1 50 LEU H 1 50 LEU HG . . 4.010 2.386 1.931 3.922 . 0 0 "[ . 1 . 2]" 1
204 1 50 LEU H 1 51 ASP H . . 4.940 4.410 4.201 4.616 . 0 0 "[ . 1 . 2]" 1
205 1 50 LEU HA 1 51 ASP H . . 2.590 2.317 2.177 2.615 0.025 11 0 "[ . 1 . 2]" 1
206 1 50 LEU HA 1 56 CYS HA . . 3.450 2.595 1.986 3.444 . 0 0 "[ . 1 . 2]" 1
207 1 50 LEU HA 1 57 TRP H . . 4.040 3.393 2.763 3.818 . 0 0 "[ . 1 . 2]" 1
208 1 50 LEU HB3 1 51 ASP H . . 4.170 4.003 2.798 4.250 0.080 7 0 "[ . 1 . 2]" 1
209 1 50 LEU HB3 1 54 GLY HA2 . . 6.170 4.657 3.195 6.206 0.036 15 0 "[ . 1 . 2]" 1
210 1 50 LEU HB3 1 54 GLY HA3 . . 6.170 5.712 4.416 6.223 0.053 3 0 "[ . 1 . 2]" 1
211 1 50 LEU QD 1 51 ASP H . . 6.240 3.367 1.973 4.266 . 0 0 "[ . 1 . 2]" 1
212 1 50 LEU QD 1 52 GLN HA . . 7.230 4.809 3.940 6.304 . 0 0 "[ . 1 . 2]" 1
213 1 50 LEU QD 1 52 GLN HB3 . . 7.140 6.604 6.017 7.322 0.182 20 0 "[ . 1 . 2]" 1
214 1 50 LEU QD 1 53 ILE H . . 7.630 5.060 4.625 5.495 . 0 0 "[ . 1 . 2]" 1
215 1 50 LEU QD 1 53 ILE HB . . 6.950 6.640 5.804 6.976 0.026 16 0 "[ . 1 . 2]" 1
216 1 50 LEU QD 1 54 GLY H . . 6.670 4.127 3.194 5.492 . 0 0 "[ . 1 . 2]" 1
217 1 50 LEU QD 1 54 GLY HA2 . . 7.170 3.141 1.903 4.948 . 0 0 "[ . 1 . 2]" 1
218 1 50 LEU QD 1 54 GLY QA . . 6.850 2.945 1.879 3.772 . 0 0 "[ . 1 . 2]" 1
219 1 50 LEU QD 1 54 GLY HA3 . . 7.170 4.121 2.906 5.184 . 0 0 "[ . 1 . 2]" 1
220 1 50 LEU QD 1 55 THR H . . 7.350 4.546 3.461 5.979 . 0 0 "[ . 1 . 2]" 1
221 1 50 LEU QD 1 55 THR HA . . 7.630 5.163 3.701 6.203 . 0 0 "[ . 1 . 2]" 1
222 1 50 LEU QD 1 55 THR HB . . 7.630 6.056 4.655 7.248 . 0 0 "[ . 1 . 2]" 1
223 1 50 LEU QD 1 56 CYS H . . 7.540 4.264 1.939 5.299 . 0 0 "[ . 1 . 2]" 1
224 1 50 LEU QD 1 56 CYS HA . . 7.630 3.620 2.020 4.605 . 0 0 "[ . 1 . 2]" 1
225 1 50 LEU QD 1 57 TRP H . . 7.070 4.861 3.796 5.981 . 0 0 "[ . 1 . 2]" 1
226 1 50 LEU HG 1 51 ASP H . . 5.500 4.634 3.400 5.242 . 0 0 "[ . 1 . 2]" 1
227 1 50 LEU HG 1 56 CYS HA . . 5.500 4.676 2.692 5.571 0.071 17 0 "[ . 1 . 2]" 1
228 1 51 ASP H 1 51 ASP HB3 . . 3.950 2.960 2.493 3.475 . 0 0 "[ . 1 . 2]" 1
229 1 51 ASP H 1 53 ILE H . . 4.170 3.798 3.154 4.228 0.058 17 0 "[ . 1 . 2]" 1
230 1 51 ASP H 1 56 CYS HA . . 5.000 4.392 3.652 4.769 . 0 0 "[ . 1 . 2]" 1
231 1 51 ASP H 1 57 TRP H . . 5.500 5.192 4.035 5.582 0.082 20 0 "[ . 1 . 2]" 1
232 1 51 ASP H 1 57 TRP HD1 . . 5.500 3.950 2.086 5.335 . 0 0 "[ . 1 . 2]" 1
233 1 51 ASP H 1 57 TRP HE1 . . 5.500 4.126 2.848 5.525 0.025 9 0 "[ . 1 . 2]" 1
234 1 52 GLN H 1 53 ILE H . . 4.070 2.741 2.335 3.135 . 0 0 "[ . 1 . 2]" 1
235 1 52 GLN HA 1 53 ILE H . . 3.610 3.511 3.292 3.645 0.035 16 0 "[ . 1 . 2]" 1
236 1 52 GLN HA 1 54 GLY H . . 5.100 4.431 3.431 5.459 0.359 20 0 "[ . 1 . 2]" 1
237 1 53 ILE H 1 53 ILE HB . . 4.000 3.225 2.200 3.855 . 0 0 "[ . 1 . 2]" 1
238 1 53 ILE H 1 53 ILE HG13 . . 4.230 2.858 1.944 4.395 0.165 20 0 "[ . 1 . 2]" 1
239 1 53 ILE H 1 55 THR H . . 5.500 4.153 2.296 5.541 0.041 7 0 "[ . 1 . 2]" 1
240 1 53 ILE HA 1 53 ILE MG . . 3.430 2.353 1.932 3.215 . 0 0 "[ . 1 . 2]" 1
241 1 53 ILE HA 1 54 GLY H . . 3.480 2.583 2.183 2.897 . 0 0 "[ . 1 . 2]" 1
242 1 53 ILE HB 1 54 GLY H . . 4.940 4.408 3.806 4.662 . 0 0 "[ . 1 . 2]" 1
243 1 53 ILE HB 1 55 THR H . . 4.910 4.152 2.963 5.051 0.141 9 0 "[ . 1 . 2]" 1
244 1 53 ILE MD 1 54 GLY H . . 6.530 4.939 3.262 5.644 . 0 0 "[ . 1 . 2]" 1
245 1 53 ILE MD 1 55 THR H . . 6.530 4.364 3.208 5.577 . 0 0 "[ . 1 . 2]" 1
246 1 53 ILE MD 1 57 TRP HZ2 . . 5.380 3.864 1.795 5.471 0.091 6 0 "[ . 1 . 2]" 1
247 1 53 ILE MD 1 101 TYR QD . . 8.670 5.136 3.046 7.411 . 0 0 "[ . 1 . 2]" 1
248 1 53 ILE MD 1 101 TYR QE . . 8.660 4.732 1.846 8.004 . 0 0 "[ . 1 . 2]" 1
249 1 53 ILE HG13 1 54 GLY H . . 5.500 4.470 3.003 5.602 0.102 7 0 "[ . 1 . 2]" 1
250 1 53 ILE MG 1 98 ARG HA . . 6.530 6.307 4.370 6.600 0.070 4 0 "[ . 1 . 2]" 1
251 1 53 ILE MG 1 101 TYR QD . . 8.670 5.476 3.196 7.532 . 0 0 "[ . 1 . 2]" 1
252 1 54 GLY H 1 55 THR H . . 4.000 2.988 2.270 3.286 . 0 0 "[ . 1 . 2]" 1
253 1 54 GLY QA 1 55 THR HA . . 5.910 4.120 4.011 4.562 . 0 0 "[ . 1 . 2]" 1
254 1 55 THR H 1 55 THR HB . . 3.390 2.511 2.043 3.495 0.105 8 0 "[ . 1 . 2]" 1
255 1 55 THR H 1 55 THR HG1 . . 5.190 3.534 1.939 4.905 . 0 0 "[ . 1 . 2]" 1
256 1 55 THR H 1 55 THR MG . . 4.670 3.296 2.345 3.821 . 0 0 "[ . 1 . 2]" 1
257 1 55 THR H 1 57 TRP HE1 . . 5.500 4.810 3.558 5.505 0.005 18 0 "[ . 1 . 2]" 1
258 1 55 THR HA 1 56 CYS H . . 2.930 2.333 2.150 3.181 0.251 17 0 "[ . 1 . 2]" 1
259 1 55 THR HB 1 56 CYS H . . 4.570 4.520 3.957 4.745 0.175 4 0 "[ . 1 . 2]" 1
260 1 55 THR HB 1 57 TRP HE1 . . 5.500 3.727 2.125 5.124 . 0 0 "[ . 1 . 2]" 1
261 1 55 THR MG 1 56 CYS H . . 4.300 3.563 2.360 4.215 . 0 0 "[ . 1 . 2]" 1
262 1 55 THR MG 1 56 CYS HA . . 6.530 4.392 3.516 5.678 . 0 0 "[ . 1 . 2]" 1
263 1 55 THR MG 1 57 TRP H . . 6.530 4.693 3.700 6.312 . 0 0 "[ . 1 . 2]" 1
264 1 55 THR MG 1 57 TRP HD1 . . 5.500 4.004 2.183 5.525 0.025 20 0 "[ . 1 . 2]" 1
265 1 55 THR MG 1 57 TRP HE1 . . 6.030 2.993 1.718 4.807 . 0 0 "[ . 1 . 2]" 1
266 1 55 THR MG 1 57 TRP HE3 . . 6.530 4.644 3.427 5.825 . 0 0 "[ . 1 . 2]" 1
267 1 55 THR MG 1 57 TRP HH2 . . 6.530 3.898 2.697 5.634 . 0 0 "[ . 1 . 2]" 1
268 1 55 THR MG 1 57 TRP HZ2 . . 4.820 2.935 1.940 4.114 . 0 0 "[ . 1 . 2]" 1
269 1 55 THR MG 1 68 ARG HE . . 6.530 5.770 3.612 6.551 0.021 6 0 "[ . 1 . 2]" 1
270 1 55 THR MG 1 99 VAL MG1 . . 7.560 3.991 2.074 5.661 . 0 0 "[ . 1 . 2]" 1
271 1 55 THR MG 1 99 VAL QG . . 6.900 3.529 2.026 4.971 . 0 0 "[ . 1 . 2]" 1
272 1 55 THR MG 1 99 VAL MG2 . . 7.560 4.170 2.707 5.936 . 0 0 "[ . 1 . 2]" 1
273 1 55 THR MG 1 101 TYR QE . . 8.010 6.409 2.235 8.252 0.242 12 0 "[ . 1 . 2]" 1
274 1 56 CYS H 1 57 TRP H . . 4.760 4.353 3.373 4.658 . 0 0 "[ . 1 . 2]" 1
275 1 56 CYS HA 1 57 TRP H . . 2.900 2.302 2.221 2.558 . 0 0 "[ . 1 . 2]" 1
276 1 57 TRP H 1 57 TRP HD1 . . 4.380 2.771 1.946 3.697 . 0 0 "[ . 1 . 2]" 1
277 1 57 TRP HB3 1 57 TRP HD1 . . 3.890 3.832 3.639 3.926 0.036 12 0 "[ . 1 . 2]" 1
278 1 57 TRP HB3 1 95 TRP HZ2 . . 4.290 2.888 1.986 4.268 . 0 0 "[ . 1 . 2]" 1
279 1 57 TRP HE1 1 99 VAL MG1 . . 6.530 3.467 1.870 5.243 . 0 0 "[ . 1 . 2]" 1
280 1 57 TRP HE1 1 99 VAL QG . . 8.090 2.998 1.719 4.964 . 0 0 "[ . 1 . 2]" 1
281 1 57 TRP HE1 1 99 VAL MG2 . . 6.530 3.772 1.926 6.142 . 0 0 "[ . 1 . 2]" 1
282 1 57 TRP HE3 1 66 VAL QG . . 5.330 2.205 1.832 2.719 . 0 0 "[ . 1 . 2]" 1
283 1 57 TRP HE3 1 99 VAL QG . . 5.640 5.146 4.048 5.695 0.055 20 0 "[ . 1 . 2]" 1
284 1 57 TRP HH2 1 85 ALA MB . . 3.490 2.614 1.782 3.560 0.070 6 0 "[ . 1 . 2]" 1
285 1 57 TRP HH2 1 86 TYR H . . 5.500 4.743 2.961 5.530 0.030 16 0 "[ . 1 . 2]" 1
286 1 57 TRP HH2 1 87 ARG H . . 5.500 4.885 3.761 5.538 0.038 6 0 "[ . 1 . 2]" 1
287 1 57 TRP HZ2 1 99 VAL MG1 . . 5.470 2.847 1.944 3.785 . 0 0 "[ . 1 . 2]" 1
288 1 57 TRP HZ2 1 99 VAL MG2 . . 5.470 2.627 1.792 5.490 0.020 13 0 "[ . 1 . 2]" 1
289 1 57 TRP HZ3 1 99 VAL QG . . 6.260 4.389 2.871 5.324 . 0 0 "[ . 1 . 2]" 1
290 1 58 PRO HA 1 59 GLN H . . 2.650 2.303 2.194 2.508 . 0 0 "[ . 1 . 2]" 1
291 1 59 GLN H 1 60 SER H . . 5.100 4.605 4.268 4.674 . 0 0 "[ . 1 . 2]" 1
292 1 59 GLN HA 1 59 GLN HB3 . . 2.930 2.621 2.423 3.039 0.109 5 0 "[ . 1 . 2]" 1
293 1 59 GLN HA 1 59 GLN HE21 . . 5.500 4.442 3.707 5.000 . 0 0 "[ . 1 . 2]" 1
294 1 59 GLN HA 1 59 GLN HE22 . . 5.500 5.445 5.031 5.636 0.136 6 0 "[ . 1 . 2]" 1
295 1 59 GLN HA 1 60 SER H . . 2.740 2.470 2.305 2.865 0.125 15 0 "[ . 1 . 2]" 1
296 1 59 GLN HB3 1 60 SER H . . 3.950 3.383 2.007 4.153 0.203 12 0 "[ . 1 . 2]" 1
297 1 60 SER H 1 60 SER HG . . 4.760 3.759 2.021 4.349 . 0 0 "[ . 1 . 2]" 1
298 1 60 SER H 1 61 ALA H . . 4.690 4.342 4.225 4.405 . 0 0 "[ . 1 . 2]" 1
299 1 60 SER H 1 95 TRP HZ2 . . 5.470 4.506 3.896 5.351 . 0 0 "[ . 1 . 2]" 1
300 1 60 SER HA 1 61 ALA H . . 2.900 2.721 2.558 2.972 0.072 20 0 "[ . 1 . 2]" 1
301 1 60 SER HA 1 61 ALA MB . . 6.340 3.989 3.856 4.195 . 0 0 "[ . 1 . 2]" 1
302 1 60 SER HA 1 64 ALA MB . . 6.280 5.124 4.422 6.119 . 0 0 "[ . 1 . 2]" 1
303 1 60 SER HB3 1 61 ALA H . . 3.110 2.428 1.941 3.072 . 0 0 "[ . 1 . 2]" 1
304 1 60 SER HB3 1 64 ALA MB . . 5.010 3.785 2.893 4.994 . 0 0 "[ . 1 . 2]" 1
305 1 60 SER HB3 1 95 TRP HH2 . . 4.720 3.948 2.992 4.741 0.021 19 0 "[ . 1 . 2]" 1
306 1 60 SER HG 1 61 ALA H . . 4.540 4.354 4.013 4.548 0.008 3 0 "[ . 1 . 2]" 1
307 1 60 SER HG 1 66 VAL QG . . 7.620 2.863 1.980 4.593 . 0 0 "[ . 1 . 2]" 1
308 1 61 ALA H 1 61 ALA MB . . 3.550 2.199 1.962 2.494 . 0 0 "[ . 1 . 2]" 1
309 1 61 ALA H 1 64 ALA MB . . 5.440 3.144 2.468 4.274 . 0 0 "[ . 1 . 2]" 1
310 1 61 ALA HA 1 62 PRO HG3 . . 5.500 4.299 4.223 4.398 . 0 0 "[ . 1 . 2]" 1
311 1 61 ALA MB 1 62 PRO HD3 . . 4.850 2.891 2.578 3.140 . 0 0 "[ . 1 . 2]" 1
312 1 61 ALA MB 1 62 PRO HG3 . . 6.120 4.568 4.292 4.814 . 0 0 "[ . 1 . 2]" 1
313 1 61 ALA MB 1 64 ALA MB . . 7.560 2.636 1.789 3.614 . 0 0 "[ . 1 . 2]" 1
314 1 62 PRO HA 1 93 GLY H . . 4.940 3.548 3.079 4.462 . 0 0 "[ . 1 . 2]" 1
315 1 62 PRO HA 1 93 GLY HA2 . . 5.500 3.027 2.454 4.002 . 0 0 "[ . 1 . 2]" 1
316 1 62 PRO HA 1 93 GLY QA . . 5.260 2.990 2.436 3.926 . 0 0 "[ . 1 . 2]" 1
317 1 62 PRO HA 1 93 GLY HA3 . . 5.500 4.676 4.111 5.682 0.182 18 0 "[ . 1 . 2]" 1
318 1 62 PRO HA 1 94 THR H . . 5.500 4.408 4.020 4.758 . 0 0 "[ . 1 . 2]" 1
319 1 62 PRO HB3 1 91 GLU HA . . 4.910 3.386 3.174 3.853 . 0 0 "[ . 1 . 2]" 1
320 1 62 PRO HB3 1 93 GLY H . . 4.850 2.242 1.970 2.911 . 0 0 "[ . 1 . 2]" 1
321 1 62 PRO HB3 1 93 GLY HA2 . . 5.980 2.037 1.849 2.183 . 0 0 "[ . 1 . 2]" 1
322 1 62 PRO HB3 1 93 GLY HA3 . . 5.980 3.051 2.753 3.502 . 0 0 "[ . 1 . 2]" 1
323 1 62 PRO HG3 1 63 GLY H . . 5.500 5.481 5.156 5.610 0.110 20 0 "[ . 1 . 2]" 1
324 1 62 PRO HG3 1 91 GLU HA . . 5.500 4.884 4.506 5.203 . 0 0 "[ . 1 . 2]" 1
325 1 62 PRO HG3 1 93 GLY H . . 5.500 4.265 3.635 4.694 . 0 0 "[ . 1 . 2]" 1
326 1 62 PRO HG3 1 93 GLY HA2 . . 5.500 3.475 1.977 3.704 . 0 0 "[ . 1 . 2]" 1
327 1 62 PRO HG3 1 93 GLY HA3 . . 5.500 3.783 3.345 4.213 . 0 0 "[ . 1 . 2]" 1
328 1 63 GLY H 1 63 GLY QA . . 2.550 2.163 2.152 2.197 . 0 0 "[ . 1 . 2]" 1
329 1 63 GLY H 1 64 ALA H . . 3.110 2.773 2.447 3.137 0.027 11 0 "[ . 1 . 2]" 1
330 1 63 GLY H 1 64 ALA MB . . 6.400 4.337 4.203 4.527 . 0 0 "[ . 1 . 2]" 1
331 1 63 GLY H 1 89 CYS H . . 4.450 4.414 3.982 4.555 0.105 18 0 "[ . 1 . 2]" 1
332 1 63 GLY H 1 90 LEU HA . . 3.700 3.621 3.344 3.772 0.072 16 0 "[ . 1 . 2]" 1
333 1 63 GLY H 1 91 GLU H . . 4.630 4.019 3.758 4.303 . 0 0 "[ . 1 . 2]" 1
334 1 63 GLY H 1 91 GLU HA . . 4.040 2.810 2.450 3.270 . 0 0 "[ . 1 . 2]" 1
335 1 63 GLY H 1 93 GLY H . . 4.450 3.984 3.788 4.281 . 0 0 "[ . 1 . 2]" 1
336 1 63 GLY H 1 93 GLY QA . . 4.890 4.488 4.222 4.982 0.092 18 0 "[ . 1 . 2]" 1
337 1 63 GLY QA 1 64 ALA H . . 3.120 2.817 2.522 2.986 . 0 0 "[ . 1 . 2]" 1
338 1 63 GLY QA 1 90 LEU HA . . 6.380 3.606 3.368 4.061 . 0 0 "[ . 1 . 2]" 1
339 1 63 GLY QA 1 93 GLY H . . 5.290 5.330 5.294 5.432 0.142 18 0 "[ . 1 . 2]" 1
340 1 63 GLY HA2 1 91 GLU H . . 5.500 4.215 3.721 4.868 . 0 0 "[ . 1 . 2]" 1
341 1 63 GLY HA3 1 91 GLU H . . 5.500 4.704 3.910 5.370 . 0 0 "[ . 1 . 2]" 1
342 1 64 ALA H 1 64 ALA MB . . 3.430 2.328 2.123 2.757 . 0 0 "[ . 1 . 2]" 1
343 1 64 ALA H 1 65 LEU H . . 4.260 3.833 1.957 4.470 0.210 20 0 "[ . 1 . 2]" 1
344 1 64 ALA H 1 89 CYS H . . 4.540 3.244 2.252 3.993 . 0 0 "[ . 1 . 2]" 1
345 1 64 ALA H 1 89 CYS HA . . 5.100 4.735 3.945 5.130 0.030 4 0 "[ . 1 . 2]" 1
346 1 64 ALA H 1 89 CYS HB3 . . 3.480 2.631 2.009 3.322 . 0 0 "[ . 1 . 2]" 1
347 1 64 ALA H 1 90 LEU QD . . 7.630 6.324 5.399 7.016 . 0 0 "[ . 1 . 2]" 1
348 1 64 ALA HA 1 65 LEU H . . 3.500 2.959 2.194 3.404 . 0 0 "[ . 1 . 2]" 1
349 1 64 ALA HA 1 65 LEU HA . . 5.500 4.734 4.357 5.216 . 0 0 "[ . 1 . 2]" 1
350 1 64 ALA HA 1 65 LEU HB3 . . 5.500 5.213 4.246 5.566 0.066 11 0 "[ . 1 . 2]" 1
351 1 64 ALA HA 1 65 LEU QD . . 6.610 3.748 2.048 5.061 . 0 0 "[ . 1 . 2]" 1
352 1 64 ALA MB 1 65 LEU H . . 3.610 2.326 1.872 3.404 . 0 0 "[ . 1 . 2]" 1
353 1 64 ALA MB 1 89 CYS H . . 6.530 3.989 3.370 5.185 . 0 0 "[ . 1 . 2]" 1
354 1 65 LEU H 1 65 LEU HB3 . . 4.040 3.566 2.997 3.979 . 0 0 "[ . 1 . 2]" 1
355 1 65 LEU H 1 66 VAL H . . 4.040 3.754 3.157 4.151 0.111 20 0 "[ . 1 . 2]" 1
356 1 65 LEU HA 1 66 VAL H . . 2.870 2.229 2.179 2.328 . 0 0 "[ . 1 . 2]" 1
357 1 65 LEU HA 1 88 GLU HA . . 3.240 2.266 1.944 2.894 . 0 0 "[ . 1 . 2]" 1
358 1 65 LEU HA 1 89 CYS H . . 3.790 3.093 2.361 3.774 . 0 0 "[ . 1 . 2]" 1
359 1 65 LEU QD 1 66 VAL H . . 6.240 3.648 2.788 4.446 . 0 0 "[ . 1 . 2]" 1
360 1 65 LEU QD 1 86 TYR HA . . 7.760 4.864 3.404 6.307 . 0 0 "[ . 1 . 2]" 1
361 1 65 LEU QD 1 86 TYR QD . . 8.720 3.954 2.982 5.775 . 0 0 "[ . 1 . 2]" 1
362 1 65 LEU QD 1 88 GLU H . . 6.800 4.456 2.884 5.675 . 0 0 "[ . 1 . 2]" 1
363 1 65 LEU QD 1 88 GLU HA . . 3.920 3.005 1.937 3.904 . 0 0 "[ . 1 . 2]" 1
364 1 65 LEU QD 1 89 CYS H . . 8.100 3.637 2.170 4.526 . 0 0 "[ . 1 . 2]" 1
365 1 65 LEU MD1 1 88 GLU HA . . 4.360 3.481 1.966 4.404 0.044 18 0 "[ . 1 . 2]" 1
366 1 65 LEU MD1 1 88 GLU HB3 . . 7.310 3.486 1.813 5.422 . 0 0 "[ . 1 . 2]" 1
367 1 65 LEU MD1 1 89 CYS HB3 . . 9.670 6.810 5.183 7.908 . 0 0 "[ . 1 . 2]" 1
368 1 65 LEU MD2 1 88 GLU HA . . 4.360 3.550 2.334 4.554 0.194 20 0 "[ . 1 . 2]" 1
369 1 65 LEU MD2 1 88 GLU HB3 . . 7.310 3.494 2.218 5.213 . 0 0 "[ . 1 . 2]" 1
370 1 65 LEU MD2 1 89 CYS HB3 . . 9.670 6.579 4.320 8.342 . 0 0 "[ . 1 . 2]" 1
371 1 66 VAL H 1 66 VAL HB . . 2.870 2.348 2.214 2.680 . 0 0 "[ . 1 . 2]" 1
372 1 66 VAL H 1 67 GLU H . . 4.540 3.486 3.119 3.752 . 0 0 "[ . 1 . 2]" 1
373 1 66 VAL H 1 87 ARG H . . 4.040 3.727 3.012 4.084 0.044 19 0 "[ . 1 . 2]" 1
374 1 66 VAL H 1 88 GLU HA . . 4.350 2.931 2.009 3.816 . 0 0 "[ . 1 . 2]" 1
375 1 66 VAL H 1 95 TRP HZ3 . . 5.500 3.244 2.565 3.974 . 0 0 "[ . 1 . 2]" 1
376 1 66 VAL HA 1 67 GLU H . . 2.740 2.601 2.524 2.719 . 0 0 "[ . 1 . 2]" 1
377 1 66 VAL HA 1 95 TRP HH2 . . 4.790 4.761 4.270 4.839 0.049 12 0 "[ . 1 . 2]" 1
378 1 66 VAL HB 1 67 GLU H . . 5.500 4.509 4.424 4.678 . 0 0 "[ . 1 . 2]" 1
379 1 66 VAL HB 1 68 ARG HE . . 5.500 5.284 4.345 5.578 0.078 4 0 "[ . 1 . 2]" 1
380 1 66 VAL HB 1 87 ARG H . . 4.500 3.849 2.814 4.268 . 0 0 "[ . 1 . 2]" 1
381 1 66 VAL HB 1 95 TRP HH2 . . 3.890 2.702 1.979 3.534 . 0 0 "[ . 1 . 2]" 1
382 1 66 VAL HB 1 95 TRP HZ2 . . 5.340 5.077 4.479 5.518 0.178 19 0 "[ . 1 . 2]" 1
383 1 66 VAL HB 1 95 TRP HZ3 . . 4.940 2.368 1.974 3.222 . 0 0 "[ . 1 . 2]" 1
384 1 66 VAL QG 1 67 GLU H . . 4.960 3.658 3.586 3.749 . 0 0 "[ . 1 . 2]" 1
385 1 66 VAL QG 1 67 GLU HA . . 7.620 4.007 3.624 4.302 . 0 0 "[ . 1 . 2]" 1
386 1 66 VAL QG 1 68 ARG H . . 7.620 4.877 4.235 5.418 . 0 0 "[ . 1 . 2]" 1
387 1 66 VAL QG 1 89 CYS H . . 6.320 4.556 3.198 5.697 . 0 0 "[ . 1 . 2]" 1
388 1 66 VAL QG 1 95 TRP HE3 . . 6.350 4.354 3.676 4.917 . 0 0 "[ . 1 . 2]" 1
389 1 66 VAL QG 1 95 TRP HH2 . . 5.020 1.817 1.725 1.919 . 0 0 "[ . 1 . 2]" 1
390 1 66 VAL QG 1 95 TRP HZ2 . . 6.070 3.453 3.239 3.623 . 0 0 "[ . 1 . 2]" 1
391 1 66 VAL QG 1 95 TRP HZ3 . . 5.300 2.520 1.932 3.077 . 0 0 "[ . 1 . 2]" 1
392 1 66 VAL QG 1 99 VAL HA . . 6.630 6.589 5.090 6.867 0.237 13 0 "[ . 1 . 2]" 1
393 1 67 GLU H 1 67 GLU HB3 . . 3.610 2.940 2.577 3.581 . 0 0 "[ . 1 . 2]" 1
394 1 67 GLU H 1 87 ARG H . . 4.420 4.169 3.663 4.513 0.093 19 0 "[ . 1 . 2]" 1
395 1 67 GLU HA 1 68 ARG H . . 2.620 2.310 2.205 2.540 . 0 0 "[ . 1 . 2]" 1
396 1 67 GLU HA 1 86 TYR HA . . 3.730 2.000 1.871 2.206 . 0 0 "[ . 1 . 2]" 1
397 1 67 GLU HA 1 86 TYR QD . . 6.210 3.650 1.993 5.057 . 0 0 "[ . 1 . 2]" 1
398 1 67 GLU HA 1 86 TYR QE . . 7.630 5.409 4.355 7.207 . 0 0 "[ . 1 . 2]" 1
399 1 67 GLU HA 1 87 ARG H . . 5.040 2.677 1.947 3.660 . 0 0 "[ . 1 . 2]" 1
400 1 67 GLU HB3 1 68 ARG H . . 4.170 3.854 2.922 4.247 0.077 11 0 "[ . 1 . 2]" 1
401 1 67 GLU HB3 1 86 TYR QD . . 7.640 3.050 1.988 4.740 . 0 0 "[ . 1 . 2]" 1
402 1 67 GLU HB3 1 86 TYR QE . . 6.390 4.307 2.815 6.433 0.043 15 0 "[ . 1 . 2]" 1
403 1 68 ARG H 1 85 ALA H . . 3.610 3.424 2.793 3.731 0.121 11 0 "[ . 1 . 2]" 1
404 1 68 ARG H 1 86 TYR HA . . 4.600 2.900 2.068 3.694 . 0 0 "[ . 1 . 2]" 1
405 1 68 ARG H 1 86 TYR QD . . 7.640 4.003 1.935 5.433 . 0 0 "[ . 1 . 2]" 1
406 1 68 ARG H 1 99 VAL QG . . 7.160 4.898 4.079 5.428 . 0 0 "[ . 1 . 2]" 1
407 1 68 ARG H 1 101 TYR QE . . 7.630 7.293 5.887 7.682 0.052 14 0 "[ . 1 . 2]" 1
408 1 68 ARG HA 1 69 PRO HD3 . . 3.580 2.420 1.949 2.788 . 0 0 "[ . 1 . 2]" 1
409 1 68 ARG HA 1 99 VAL QG . . 7.190 6.857 5.946 7.346 0.156 6 0 "[ . 1 . 2]" 1
410 1 69 PRO HA 1 70 CYS H . . 2.740 2.274 2.153 2.809 0.069 5 0 "[ . 1 . 2]" 1
411 1 69 PRO HA 1 84 ASN HA . . 5.500 3.458 1.992 4.996 . 0 0 "[ . 1 . 2]" 1
412 1 69 PRO HA 1 85 ALA H . . 3.730 3.103 1.912 3.773 0.043 13 0 "[ . 1 . 2]" 1
413 1 70 CYS CB 1 104 CYS SG . . 3.100 3.113 2.960 3.254 0.154 17 0 "[ . 1 . 2]" 1
414 1 70 CYS H 1 70 CYS HA . . 2.800 2.487 2.193 2.930 0.130 6 0 "[ . 1 . 2]" 1
415 1 70 CYS H 1 84 ASN H . . 4.970 4.766 2.980 5.121 0.151 6 0 "[ . 1 . 2]" 1
416 1 70 CYS H 1 84 ASN HA . . 4.450 3.354 1.947 4.419 . 0 0 "[ . 1 . 2]" 1
417 1 70 CYS H 1 85 ALA H . . 4.540 4.065 2.895 4.603 0.063 19 0 "[ . 1 . 2]" 1
418 1 70 CYS HB3 1 75 ASN HD21 . . 6.760 6.128 4.337 6.878 0.118 5 0 "[ . 1 . 2]" 1
419 1 70 CYS HB3 1 75 ASN HD22 . . 6.760 6.156 3.798 6.808 0.048 18 0 "[ . 1 . 2]" 1
420 1 70 CYS SG 1 104 CYS CB . . 3.100 3.120 3.009 3.227 0.127 19 0 "[ . 1 . 2]" 1
421 1 70 CYS SG 1 104 CYS SG . . 2.100 1.986 1.850 2.130 0.030 6 0 "[ . 1 . 2]" 1
422 1 71 PRO HA 1 80 ASN QD . . 6.370 6.162 4.939 6.576 0.206 6 0 "[ . 1 . 2]" 1
423 1 72 GLU H 1 79 TYR HA . . 5.600 4.796 3.591 5.198 . 0 0 "[ . 1 . 2]" 1
424 1 72 GLU H 1 79 TYR HB3 . . 5.130 3.738 1.964 5.260 0.130 14 0 "[ . 1 . 2]" 1
425 1 72 GLU HA 1 73 TYR H . . 2.960 2.523 2.216 3.134 0.174 14 0 "[ . 1 . 2]" 1
426 1 73 TYR H 1 73 TYR HB3 . . 3.360 3.077 2.123 3.717 0.357 15 0 "[ . 1 . 2]" 1
427 1 74 PHE QD 1 77 ILE MD . . 7.410 6.324 3.906 7.597 0.187 18 0 "[ . 1 . 2]" 1
428 1 74 PHE QD 1 77 ILE MG . . 8.650 4.841 2.904 5.940 . 0 0 "[ . 1 . 2]" 1
429 1 74 PHE QE 1 77 ILE MD . . 6.760 5.410 3.400 6.780 0.020 20 0 "[ . 1 . 2]" 1
430 1 74 PHE QE 1 77 ILE MG . . 8.490 3.761 1.836 5.125 . 0 0 "[ . 1 . 2]" 1
431 1 74 PHE QE 1 107 ILE MD . . 7.840 3.870 2.602 5.114 . 0 0 "[ . 1 . 2]" 1
432 1 74 PHE HZ 1 77 ILE MG . . 6.000 4.199 1.905 5.541 . 0 0 "[ . 1 . 2]" 1
433 1 74 PHE HZ 1 107 ILE MD . . 4.730 4.456 2.561 5.026 0.296 19 0 "[ . 1 . 2]" 1
434 1 75 ASN H 1 77 ILE H . . 5.100 4.385 3.165 5.252 0.152 15 0 "[ . 1 . 2]" 1
435 1 76 GLY H 1 77 ILE H . . 3.420 2.983 1.907 3.697 0.277 17 0 "[ . 1 . 2]" 1
436 1 77 ILE H 1 77 ILE HB . . 3.610 2.954 2.047 3.890 0.280 13 0 "[ . 1 . 2]" 1
437 1 77 ILE H 1 77 ILE MD . . 4.980 4.052 3.430 4.717 . 0 0 "[ . 1 . 2]" 1
438 1 77 ILE H 1 77 ILE HG13 . . 5.190 4.401 2.253 5.316 0.126 17 0 "[ . 1 . 2]" 1
439 1 77 ILE H 1 78 LYS H . . 4.570 4.041 2.042 4.605 0.035 18 0 "[ . 1 . 2]" 1
440 1 77 ILE HA 1 77 ILE MD . . 4.450 2.594 1.835 4.016 . 0 0 "[ . 1 . 2]" 1
441 1 77 ILE HA 1 77 ILE HG13 . . 4.070 3.145 2.061 3.884 . 0 0 "[ . 1 . 2]" 1
442 1 77 ILE HA 1 78 LYS H . . 3.610 2.511 2.200 3.242 . 0 0 "[ . 1 . 2]" 1
443 1 77 ILE HB 1 78 LYS H . . 4.850 3.980 1.937 4.639 . 0 0 "[ . 1 . 2]" 1
444 1 77 ILE MD 1 78 LYS H . . 4.260 3.214 1.733 4.365 0.105 13 0 "[ . 1 . 2]" 1
445 1 77 ILE MD 1 79 TYR QD . . 8.670 5.806 2.826 7.800 . 0 0 "[ . 1 . 2]" 1
446 1 77 ILE MD 1 79 TYR QE . . 8.660 6.414 2.463 8.828 0.168 16 0 "[ . 1 . 2]" 1
447 1 77 ILE HG13 1 78 LYS H . . 5.160 3.641 1.858 5.237 0.077 12 0 "[ . 1 . 2]" 1
448 1 77 ILE MG 1 78 LYS H . . 5.100 3.079 1.807 4.405 . 0 0 "[ . 1 . 2]" 1
449 1 77 ILE MG 1 79 TYR QD . . 8.670 5.020 2.051 7.243 . 0 0 "[ . 1 . 2]" 1
450 1 77 ILE MG 1 79 TYR QE . . 8.660 6.043 2.311 8.731 0.071 9 0 "[ . 1 . 2]" 1
451 1 78 LYS H 1 78 LYS HB3 . . 4.010 3.097 2.364 3.977 . 0 0 "[ . 1 . 2]" 1
452 1 78 LYS H 1 79 TYR H . . 4.540 3.487 1.815 4.625 0.085 7 0 "[ . 1 . 2]" 1
453 1 78 LYS H 1 79 TYR QE . . 7.630 6.263 3.837 7.658 0.028 7 0 "[ . 1 . 2]" 1
454 1 78 LYS H 1 80 ASN QD . . 5.960 5.283 2.987 6.077 0.117 14 0 "[ . 1 . 2]" 1
455 1 78 LYS HB3 1 79 TYR H . . 4.690 4.053 2.006 4.723 0.033 17 0 "[ . 1 . 2]" 1
456 1 79 TYR HA 1 80 ASN QD . . 6.370 3.442 2.495 4.840 . 0 0 "[ . 1 . 2]" 1
457 1 79 TYR HB3 1 80 ASN H . . 4.690 3.938 1.985 4.703 0.013 16 0 "[ . 1 . 2]" 1
458 1 79 TYR QD 1 80 ASN HA . . 7.050 4.310 3.306 6.089 . 0 0 "[ . 1 . 2]" 1
459 1 79 TYR QD 1 81 THR MG . . 8.420 4.930 1.799 6.827 . 0 0 "[ . 1 . 2]" 1
460 1 79 TYR QE 1 81 THR MG . . 7.580 5.896 2.902 7.673 0.093 14 0 "[ . 1 . 2]" 1
461 1 80 ASN H 1 80 ASN QD . . 5.590 2.283 1.827 3.896 . 0 0 "[ . 1 . 2]" 1
462 1 81 THR H 1 81 THR MG . . 4.420 2.886 1.867 4.050 . 0 0 "[ . 1 . 2]" 1
463 1 81 THR H 1 82 THR H . . 4.570 3.835 1.923 4.597 0.027 19 0 "[ . 1 . 2]" 1
464 1 81 THR HA 1 83 ARG H . . 5.100 4.288 2.966 5.154 0.054 4 0 "[ . 1 . 2]" 1
465 1 81 THR HB 1 82 THR H . . 5.500 3.632 1.894 4.717 . 0 0 "[ . 1 . 2]" 1
466 1 81 THR MG 1 82 THR H . . 6.090 3.384 1.885 4.396 . 0 0 "[ . 1 . 2]" 1
467 1 82 THR H 1 82 THR MG . . 4.390 2.948 1.886 3.940 . 0 0 "[ . 1 . 2]" 1
468 1 82 THR H 1 83 ARG H . . 3.450 2.974 1.894 3.578 0.128 3 0 "[ . 1 . 2]" 1
469 1 82 THR HA 1 82 THR MG . . 3.580 2.696 2.194 3.246 . 0 0 "[ . 1 . 2]" 1
470 1 83 ARG H 1 83 ARG HB3 . . 4.040 3.606 2.712 4.103 0.063 14 0 "[ . 1 . 2]" 1
471 1 83 ARG H 1 84 ASN H . . 4.480 4.074 2.935 4.612 0.132 5 0 "[ . 1 . 2]" 1
472 1 83 ARG HA 1 84 ASN H . . 2.620 2.464 2.226 2.893 0.273 10 0 "[ . 1 . 2]" 1
473 1 83 ARG HA 1 84 ASN HA . . 5.340 4.434 4.278 4.758 . 0 0 "[ . 1 . 2]" 1
474 1 83 ARG HB3 1 84 ASN H . . 4.600 3.556 2.164 4.663 0.063 12 0 "[ . 1 . 2]" 1
475 1 84 ASN H 1 84 ASN HD21 . . 4.910 3.471 1.892 4.807 . 0 0 "[ . 1 . 2]" 1
476 1 84 ASN H 1 84 ASN QD . . 4.740 3.178 1.857 4.176 . 0 0 "[ . 1 . 2]" 1
477 1 84 ASN H 1 84 ASN HD22 . . 4.910 3.797 2.702 5.100 0.190 10 0 "[ . 1 . 2]" 1
478 1 84 ASN H 1 85 ALA H . . 5.100 4.496 4.102 4.667 . 0 0 "[ . 1 . 2]" 1
479 1 84 ASN HA 1 85 ALA H . . 2.770 2.444 2.252 2.768 . 0 0 "[ . 1 . 2]" 1
480 1 84 ASN HB3 1 85 ALA H . . 3.980 3.730 2.292 4.120 0.140 15 0 "[ . 1 . 2]" 1
481 1 84 ASN QD 1 85 ALA H . . 6.370 4.563 2.773 5.645 . 0 0 "[ . 1 . 2]" 1
482 1 85 ALA H 1 86 TYR H . . 4.570 4.214 2.645 4.591 0.021 6 0 "[ . 1 . 2]" 1
483 1 85 ALA HA 1 86 TYR H . . 2.770 2.574 2.186 2.847 0.077 15 0 "[ . 1 . 2]" 1
484 1 85 ALA HA 1 99 VAL QG . . 7.190 3.252 1.898 4.699 . 0 0 "[ . 1 . 2]" 1
485 1 85 ALA MB 1 86 TYR H . . 4.170 2.529 1.994 3.788 . 0 0 "[ . 1 . 2]" 1
486 1 85 ALA MB 1 86 TYR QD . . 7.890 4.610 3.652 5.749 . 0 0 "[ . 1 . 2]" 1
487 1 85 ALA MB 1 99 VAL QG . . 8.430 1.993 1.609 3.749 . 0 0 "[ . 1 . 2]" 1
488 1 85 ALA MB 1 100 ASN H . . 6.470 3.511 2.065 5.555 . 0 0 "[ . 1 . 2]" 1
489 1 85 ALA MB 1 100 ASN HD21 . . 6.530 4.995 1.863 6.045 . 0 0 "[ . 1 . 2]" 1
490 1 85 ALA MB 1 100 ASN HD22 . . 6.530 5.765 2.427 6.655 0.125 8 0 "[ . 1 . 2]" 1
491 1 85 ALA MB 1 101 TYR HA . . 6.530 5.196 1.881 6.578 0.048 7 0 "[ . 1 . 2]" 1
492 1 85 ALA MB 1 101 TYR QD . . 6.590 3.462 1.758 4.991 . 0 0 "[ . 1 . 2]" 1
493 1 85 ALA MB 1 101 TYR QE . . 7.760 3.802 1.885 5.616 . 0 0 "[ . 1 . 2]" 1
494 1 86 TYR H 1 86 TYR HB3 . . 4.040 3.317 2.033 3.872 . 0 0 "[ . 1 . 2]" 1
495 1 86 TYR H 1 87 ARG H . . 4.570 3.920 2.214 4.574 0.004 16 0 "[ . 1 . 2]" 1
496 1 86 TYR H 1 99 VAL QG . . 7.310 2.148 1.729 3.659 . 0 0 "[ . 1 . 2]" 1
497 1 86 TYR H 1 100 ASN H . . 4.040 2.855 2.106 4.049 0.009 16 0 "[ . 1 . 2]" 1
498 1 86 TYR HA 1 87 ARG H . . 2.680 2.277 2.191 2.709 0.029 19 0 "[ . 1 . 2]" 1
499 1 86 TYR HA 1 101 TYR QE . . 7.480 6.381 4.134 7.650 0.170 6 0 "[ . 1 . 2]" 1
500 1 86 TYR HB3 1 87 ARG H . . 4.540 4.010 2.847 4.661 0.121 11 0 "[ . 1 . 2]" 1
501 1 86 TYR HB3 1 87 ARG HG3 . . 7.250 6.528 5.264 7.343 0.093 11 0 "[ . 1 . 2]" 1
502 1 86 TYR QD 1 87 ARG H . . 6.830 4.093 2.179 4.926 . 0 0 "[ . 1 . 2]" 1
503 1 86 TYR QD 1 100 ASN HB3 . . 7.640 5.921 3.243 7.737 0.097 9 0 "[ . 1 . 2]" 1
504 1 86 TYR QD 1 103 HIS HD2 . . 7.480 6.004 3.105 7.508 0.028 18 0 "[ . 1 . 2]" 1
505 1 86 TYR QE 1 99 VAL QG . . 10.220 5.682 4.477 6.437 . 0 0 "[ . 1 . 2]" 1
506 1 86 TYR QE 1 103 HIS HD2 . . 6.730 5.249 3.399 6.743 0.013 8 0 "[ . 1 . 2]" 1
507 1 87 ARG H 1 87 ARG HG3 . . 4.480 4.031 2.441 4.549 0.069 18 0 "[ . 1 . 2]" 1
508 1 87 ARG H 1 88 GLU H . . 4.910 4.074 2.459 4.554 . 0 0 "[ . 1 . 2]" 1
509 1 87 ARG HA 1 88 GLU H . . 2.960 2.373 2.230 2.896 . 0 0 "[ . 1 . 2]" 1
510 1 87 ARG HA 1 99 VAL HA . . 3.980 3.591 2.620 4.197 0.217 13 0 "[ . 1 . 2]" 1
511 1 87 ARG HA 1 99 VAL HB . . 5.190 4.772 3.143 5.600 0.410 19 0 "[ . 1 . 2]" 1
512 1 87 ARG HA 1 99 VAL QG . . 7.100 3.258 1.614 4.033 . 0 0 "[ . 1 . 2]" 1
513 1 87 ARG HA 1 100 ASN H . . 5.500 4.875 3.142 5.587 0.087 6 0 "[ . 1 . 2]" 1
514 1 87 ARG HB3 1 95 TRP HZ3 . . 5.600 2.933 1.994 5.388 . 0 0 "[ . 1 . 2]" 1
515 1 87 ARG HB3 1 99 VAL MG1 . . 7.410 5.026 1.866 6.745 . 0 0 "[ . 1 . 2]" 1
516 1 87 ARG HB3 1 99 VAL MG2 . . 7.410 3.662 1.884 4.967 . 0 0 "[ . 1 . 2]" 1
517 1 87 ARG HE 1 95 TRP HB3 . . 4.880 3.156 1.947 3.701 . 0 0 "[ . 1 . 2]" 1
518 1 87 ARG HE 1 95 TRP HE3 . . 5.500 3.511 2.192 5.076 . 0 0 "[ . 1 . 2]" 1
519 1 87 ARG HE 1 96 ALA MB . . 6.340 3.495 1.921 5.028 . 0 0 "[ . 1 . 2]" 1
520 1 87 ARG HE 1 99 VAL QG . . 6.540 3.930 2.441 5.640 . 0 0 "[ . 1 . 2]" 1
521 1 88 GLU H 1 88 GLU HB3 . . 3.610 2.943 2.344 3.720 0.110 19 0 "[ . 1 . 2]" 1
522 1 88 GLU H 1 88 GLU HG3 . . 5.280 3.222 2.105 4.675 . 0 0 "[ . 1 . 2]" 1
523 1 88 GLU H 1 89 CYS H . . 4.690 4.541 4.277 4.658 . 0 0 "[ . 1 . 2]" 1
524 1 88 GLU H 1 96 ALA MB . . 4.260 2.753 1.954 3.691 . 0 0 "[ . 1 . 2]" 1
525 1 88 GLU H 1 99 VAL QG . . 6.940 4.946 2.636 5.907 . 0 0 "[ . 1 . 2]" 1
526 1 88 GLU HA 1 89 CYS H . . 3.050 2.342 2.209 2.501 . 0 0 "[ . 1 . 2]" 1
527 1 88 GLU HA 1 96 ALA MB . . 4.950 4.613 4.025 5.092 0.142 16 0 "[ . 1 . 2]" 1
528 1 88 GLU HB3 1 89 CYS H . . 4.040 3.898 2.811 4.173 0.133 13 0 "[ . 1 . 2]" 1
529 1 88 GLU HG3 1 89 CYS H . . 5.500 4.139 2.264 5.260 . 0 0 "[ . 1 . 2]" 1
530 1 88 GLU HG3 1 90 LEU QD . . 6.210 4.642 2.752 6.229 0.019 18 0 "[ . 1 . 2]" 1
531 1 89 CYS H 1 90 LEU H . . 4.570 4.392 4.191 4.595 0.025 5 0 "[ . 1 . 2]" 1
532 1 89 CYS H 1 95 TRP HE3 . . 5.500 4.910 4.472 5.468 . 0 0 "[ . 1 . 2]" 1
533 1 89 CYS H 1 95 TRP HZ3 . . 5.500 4.449 3.493 5.424 . 0 0 "[ . 1 . 2]" 1
534 1 89 CYS HA 1 90 LEU H . . 2.990 2.265 2.219 2.515 . 0 0 "[ . 1 . 2]" 1
535 1 90 LEU H 1 90 LEU HB3 . . 3.550 3.365 3.059 3.496 . 0 0 "[ . 1 . 2]" 1
536 1 90 LEU H 1 90 LEU HG . . 4.420 3.373 2.600 4.493 0.073 18 0 "[ . 1 . 2]" 1
537 1 90 LEU H 1 91 GLU H . . 5.500 4.633 4.593 4.659 . 0 0 "[ . 1 . 2]" 1
538 1 90 LEU H 1 92 ASN H . . 4.450 4.444 4.374 4.506 0.056 19 0 "[ . 1 . 2]" 1
539 1 90 LEU H 1 93 GLY H . . 4.480 4.451 4.139 4.504 0.024 18 0 "[ . 1 . 2]" 1
540 1 90 LEU H 1 94 THR H . . 3.640 3.132 2.566 3.645 0.005 18 0 "[ . 1 . 2]" 1
541 1 90 LEU H 1 95 TRP HA . . 3.860 3.698 2.485 3.911 0.051 16 0 "[ . 1 . 2]" 1
542 1 90 LEU H 1 96 ALA H . . 5.500 5.419 4.568 5.548 0.048 13 0 "[ . 1 . 2]" 1
543 1 90 LEU HA 1 90 LEU HG . . 3.750 2.718 2.189 3.652 . 0 0 "[ . 1 . 2]" 1
544 1 90 LEU HA 1 91 GLU H . . 2.650 2.466 2.333 2.642 . 0 0 "[ . 1 . 2]" 1
545 1 90 LEU HA 1 92 ASN H . . 4.040 3.853 3.724 4.013 . 0 0 "[ . 1 . 2]" 1
546 1 90 LEU HA 1 93 GLY H . . 5.470 4.881 4.729 4.995 . 0 0 "[ . 1 . 2]" 1
547 1 90 LEU HB3 1 91 GLU H . . 4.970 2.660 2.159 3.266 . 0 0 "[ . 1 . 2]" 1
548 1 90 LEU HB3 1 94 THR H . . 4.140 3.563 2.969 4.026 . 0 0 "[ . 1 . 2]" 1
549 1 90 LEU QD 1 91 GLU H . . 6.240 2.455 1.919 3.631 . 0 0 "[ . 1 . 2]" 1
550 1 90 LEU QD 1 92 ASN H . . 6.830 3.380 3.083 3.723 . 0 0 "[ . 1 . 2]" 1
551 1 90 LEU QD 1 93 GLY H . . 7.630 4.746 4.441 4.920 . 0 0 "[ . 1 . 2]" 1
552 1 90 LEU QD 1 94 THR H . . 7.320 4.153 3.793 4.551 . 0 0 "[ . 1 . 2]" 1
553 1 90 LEU QD 1 94 THR HB . . 7.630 4.075 2.786 5.609 . 0 0 "[ . 1 . 2]" 1
554 1 90 LEU QD 1 95 TRP H . . 7.630 5.059 4.265 6.091 . 0 0 "[ . 1 . 2]" 1
555 1 90 LEU QD 1 96 ALA H . . 7.350 5.316 4.093 5.989 . 0 0 "[ . 1 . 2]" 1
556 1 90 LEU QD 1 96 ALA HA . . 5.800 3.593 2.333 4.327 . 0 0 "[ . 1 . 2]" 1
557 1 90 LEU QD 1 96 ALA MB . . 7.450 4.147 2.674 5.060 . 0 0 "[ . 1 . 2]" 1
558 1 90 LEU HG 1 91 GLU H . . 5.470 4.227 2.664 4.673 . 0 0 "[ . 1 . 2]" 1
559 1 90 LEU HG 1 92 ASN H . . 5.500 4.812 3.396 5.103 . 0 0 "[ . 1 . 2]" 1
560 1 90 LEU HG 1 94 THR H . . 5.500 5.273 4.820 5.529 0.029 18 0 "[ . 1 . 2]" 1
561 1 90 LEU HG 1 96 ALA HA . . 5.410 4.842 4.075 5.422 0.012 13 0 "[ . 1 . 2]" 1
562 1 91 GLU H 1 91 GLU HA . . 2.870 2.837 2.805 2.864 . 0 0 "[ . 1 . 2]" 1
563 1 91 GLU H 1 92 ASN H . . 3.140 2.602 2.514 2.641 . 0 0 "[ . 1 . 2]" 1
564 1 91 GLU H 1 93 GLY H . . 4.320 4.234 4.182 4.321 0.001 18 0 "[ . 1 . 2]" 1
565 1 91 GLU HA 1 92 ASN H . . 3.240 3.297 3.285 3.346 0.106 16 0 "[ . 1 . 2]" 1
566 1 91 GLU HA 1 92 ASN HA . . 5.500 4.584 4.560 4.675 . 0 0 "[ . 1 . 2]" 1
567 1 91 GLU HA 1 92 ASN QD . . 6.370 5.929 5.225 6.351 . 0 0 "[ . 1 . 2]" 1
568 1 91 GLU HA 1 93 GLY H . . 5.470 3.357 3.270 3.422 . 0 0 "[ . 1 . 2]" 1
569 1 92 ASN H 1 92 ASN HB3 . . 3.170 2.991 2.666 3.175 0.005 13 0 "[ . 1 . 2]" 1
570 1 92 ASN H 1 93 GLY H . . 2.870 2.284 2.214 2.408 . 0 0 "[ . 1 . 2]" 1
571 1 92 ASN H 1 94 THR H . . 4.040 3.360 3.034 3.781 . 0 0 "[ . 1 . 2]" 1
572 1 92 ASN HA 1 93 GLY H . . 3.330 3.335 3.245 3.413 0.083 18 0 "[ . 1 . 2]" 1
573 1 93 GLY H 1 94 THR H . . 2.590 2.432 2.167 2.585 . 0 0 "[ . 1 . 2]" 1
574 1 93 GLY H 1 94 THR MG . . 5.630 3.896 3.046 4.390 . 0 0 "[ . 1 . 2]" 1
575 1 94 THR H 1 94 THR HB . . 4.070 3.712 3.551 3.882 . 0 0 "[ . 1 . 2]" 1
576 1 94 THR H 1 94 THR MG . . 4.610 2.762 2.024 3.323 . 0 0 "[ . 1 . 2]" 1
577 1 94 THR H 1 95 TRP H . . 4.480 4.456 4.336 4.558 0.078 9 0 "[ . 1 . 2]" 1
578 1 94 THR HA 1 94 THR HB . . 2.800 2.518 2.299 2.673 . 0 0 "[ . 1 . 2]" 1
579 1 94 THR HA 1 95 TRP H . . 2.560 2.444 2.216 2.591 0.031 16 0 "[ . 1 . 2]" 1
580 1 94 THR HB 1 95 TRP H . . 3.170 2.692 2.292 3.256 0.086 18 0 "[ . 1 . 2]" 1
581 1 94 THR MG 1 95 TRP H . . 4.390 3.844 3.555 4.096 . 0 0 "[ . 1 . 2]" 1
582 1 95 TRP H 1 95 TRP HB3 . . 3.610 3.482 3.313 3.650 0.040 8 0 "[ . 1 . 2]" 1
583 1 95 TRP H 1 95 TRP HD1 . . 5.500 3.644 2.307 4.183 . 0 0 "[ . 1 . 2]" 1
584 1 95 TRP H 1 96 ALA H . . 4.420 4.448 4.370 4.531 0.111 19 0 "[ . 1 . 2]" 1
585 1 95 TRP HA 1 95 TRP HE3 . . 4.070 2.299 1.985 3.223 . 0 0 "[ . 1 . 2]" 1
586 1 95 TRP HA 1 96 ALA H . . 2.990 2.760 2.661 2.878 . 0 0 "[ . 1 . 2]" 1
587 1 95 TRP HA 1 96 ALA MB . . 6.120 4.036 3.834 4.195 . 0 0 "[ . 1 . 2]" 1
588 1 95 TRP HB3 1 96 ALA H . . 4.010 1.990 1.931 2.192 . 0 0 "[ . 1 . 2]" 1
589 1 95 TRP HD1 1 96 ALA H . . 5.500 5.482 5.222 5.565 0.065 11 0 "[ . 1 . 2]" 1
590 1 95 TRP HE3 1 96 ALA MB . . 6.530 3.606 2.931 4.690 . 0 0 "[ . 1 . 2]" 1
591 1 96 ALA H 1 96 ALA MB . . 3.580 2.224 2.024 2.408 . 0 0 "[ . 1 . 2]" 1
592 1 96 ALA MB 1 98 ARG H . . 6.530 3.006 2.623 3.743 . 0 0 "[ . 1 . 2]" 1
593 1 98 ARG H 1 99 VAL H . . 4.500 4.019 2.051 4.423 . 0 0 "[ . 1 . 2]" 1
594 1 98 ARG HA 1 99 VAL H . . 2.870 2.359 2.226 2.761 . 0 0 "[ . 1 . 2]" 1
595 1 98 ARG HA 1 99 VAL MG1 . . 5.910 4.421 3.616 5.468 . 0 0 "[ . 1 . 2]" 1
596 1 98 ARG HA 1 99 VAL QG . . 5.430 3.823 3.134 4.405 . 0 0 "[ . 1 . 2]" 1
597 1 98 ARG HA 1 99 VAL MG2 . . 5.910 4.892 3.159 5.475 . 0 0 "[ . 1 . 2]" 1
598 1 99 VAL H 1 99 VAL HB . . 3.500 2.544 2.036 2.931 . 0 0 "[ . 1 . 2]" 1
599 1 99 VAL HA 1 100 ASN H . . 2.680 2.418 2.181 2.709 0.029 7 0 "[ . 1 . 2]" 1
600 1 99 VAL HA 1 101 TYR QE . . 6.240 4.353 1.919 6.309 0.069 8 0 "[ . 1 . 2]" 1
601 1 99 VAL HB 1 100 ASN H . . 4.420 4.048 3.641 4.476 0.056 13 0 "[ . 1 . 2]" 1
602 1 99 VAL HB 1 101 TYR QD . . 6.240 5.113 2.460 6.291 0.051 15 0 "[ . 1 . 2]" 1
603 1 99 VAL HB 1 101 TYR QE . . 5.650 4.487 1.995 5.481 . 0 0 "[ . 1 . 2]" 1
604 1 99 VAL QG 1 100 ASN H . . 4.540 2.215 1.770 3.706 . 0 0 "[ . 1 . 2]" 1
605 1 99 VAL QG 1 101 TYR QE . . 6.230 2.910 1.814 4.787 . 0 0 "[ . 1 . 2]" 1
606 1 99 VAL MG1 1 100 ASN H . . 5.230 3.093 1.871 4.216 . 0 0 "[ . 1 . 2]" 1
607 1 99 VAL MG1 1 101 TYR QD . . 7.460 3.811 1.896 5.652 . 0 0 "[ . 1 . 2]" 1
608 1 99 VAL MG1 1 101 TYR QE . . 6.680 3.616 1.925 5.706 . 0 0 "[ . 1 . 2]" 1
609 1 99 VAL MG2 1 100 ASN H . . 5.230 2.639 1.785 4.420 . 0 0 "[ . 1 . 2]" 1
610 1 99 VAL MG2 1 101 TYR QD . . 7.460 3.688 1.960 5.785 . 0 0 "[ . 1 . 2]" 1
611 1 99 VAL MG2 1 101 TYR QE . . 6.680 3.424 1.883 5.885 . 0 0 "[ . 1 . 2]" 1
612 1 100 ASN H 1 100 ASN HB3 . . 4.070 3.376 2.110 4.020 . 0 0 "[ . 1 . 2]" 1
613 1 100 ASN H 1 101 TYR H . . 4.450 3.831 2.038 4.594 0.144 14 0 "[ . 1 . 2]" 1
614 1 100 ASN HB3 1 101 TYR H . . 4.880 3.226 1.905 4.449 . 0 0 "[ . 1 . 2]" 1
615 1 101 TYR H 1 102 SER H . . 3.830 3.548 1.909 4.023 0.193 13 0 "[ . 1 . 2]" 1
616 1 101 TYR HA 1 102 SER H . . 3.580 2.450 2.188 3.634 0.054 6 0 "[ . 1 . 2]" 1
617 1 101 TYR QD 1 102 SER H . . 7.640 4.431 2.052 5.007 . 0 0 "[ . 1 . 2]" 1
618 1 101 TYR QD 1 104 CYS H . . 7.640 5.674 3.936 7.820 0.180 9 0 "[ . 1 . 2]" 1
619 1 102 SER H 1 103 HIS H . . 3.330 2.452 1.894 3.431 0.101 6 0 "[ . 1 . 2]" 1
620 1 102 SER H 1 104 CYS H . . 5.100 4.163 2.843 5.115 0.015 6 0 "[ . 1 . 2]" 1
621 1 103 HIS H 1 103 HIS HD1 . . 5.100 4.186 2.024 5.152 0.052 18 0 "[ . 1 . 2]" 1
622 1 103 HIS H 1 104 CYS H . . 2.740 2.567 1.872 2.813 0.073 7 0 "[ . 1 . 2]" 1
623 1 103 HIS HA 1 104 CYS H . . 3.140 3.004 2.559 3.286 0.146 11 0 "[ . 1 . 2]" 1
624 1 103 HIS HA 1 106 PRO HB3 . . 5.500 4.890 3.802 5.570 0.070 17 0 "[ . 1 . 2]" 1
625 1 104 CYS H 1 104 CYS HB3 . . 3.140 2.749 2.025 3.255 0.115 17 0 "[ . 1 . 2]" 1
626 1 104 CYS H 1 105 GLU H . . 3.760 2.602 1.851 3.876 0.116 16 0 "[ . 1 . 2]" 1
627 1 106 PRO HA 1 107 ILE H . . 2.930 2.468 2.149 2.807 . 0 0 "[ . 1 . 2]" 1
628 1 107 ILE H 1 107 ILE HB . . 3.050 2.636 2.147 3.175 0.125 10 0 "[ . 1 . 2]" 1
629 1 107 ILE H 1 107 ILE MD . . 4.360 3.670 1.863 4.475 0.115 6 0 "[ . 1 . 2]" 1
630 1 107 ILE H 1 107 ILE HG13 . . 4.760 3.965 2.110 4.811 0.051 20 0 "[ . 1 . 2]" 1
631 1 107 ILE HA 1 107 ILE MD . . 3.430 2.917 1.917 3.566 0.136 15 0 "[ . 1 . 2]" 1
632 1 107 ILE HA 1 107 ILE HG13 . . 4.260 2.843 1.974 3.898 . 0 0 "[ . 1 . 2]" 1
633 1 107 ILE HA 1 107 ILE MG . . 3.550 2.864 2.096 3.204 . 0 0 "[ . 1 . 2]" 1
634 1 107 ILE HA 1 108 LEU H . . 2.620 2.397 2.177 2.714 0.094 6 0 "[ . 1 . 2]" 1
635 1 107 ILE HB 1 107 ILE MD . . 3.430 2.548 1.957 3.212 . 0 0 "[ . 1 . 2]" 1
636 1 107 ILE MG 1 108 LEU H . . 6.220 3.020 1.808 4.167 . 0 0 "[ . 1 . 2]" 1
637 1 108 LEU H 1 108 LEU HG . . 4.010 2.888 2.112 4.137 0.127 6 0 "[ . 1 . 2]" 1
638 1 108 LEU HA 1 109 ASP H . . 2.770 2.511 2.178 2.790 0.020 7 0 "[ . 1 . 2]" 1
639 1 108 LEU QD 1 109 ASP HA . . 7.630 4.023 2.462 5.433 . 0 0 "[ . 1 . 2]" 1
640 1 109 ASP HA 1 110 ASP H . . 2.960 2.461 2.251 2.893 . 0 0 "[ . 1 . 2]" 1
641 1 110 ASP HA 1 111 LYS H . . 2.960 2.450 2.270 2.757 . 0 0 "[ . 1 . 2]" 1
642 1 111 LYS H 1 112 GLN H . . 5.500 3.889 2.400 4.672 . 0 0 "[ . 1 . 2]" 1
643 1 111 LYS HA 1 112 GLN H . . 2.930 2.443 2.185 2.903 . 0 0 "[ . 1 . 2]" 1
644 1 112 GLN H 1 112 GLN HB3 . . 3.700 3.268 2.421 3.894 0.194 14 0 "[ . 1 . 2]" 1
645 1 112 GLN H 1 112 GLN HG3 . . 4.350 3.401 1.985 4.329 . 0 0 "[ . 1 . 2]" 1
646 1 112 GLN HA 1 113 ARG H . . 3.360 2.567 2.203 3.515 0.155 12 0 "[ . 1 . 2]" 1
647 1 113 ARG HA 1 114 LYS H . . 2.960 2.396 2.226 2.811 . 0 0 "[ . 1 . 2]" 1
648 1 115 TYR H 1 115 TYR HB3 . . 4.110 3.215 2.040 4.009 . 0 0 "[ . 1 . 2]" 1
649 1 115 TYR HA 1 116 ASP H . . 2.710 2.474 2.217 2.856 0.146 10 0 "[ . 1 . 2]" 1
650 1 115 TYR HB3 1 116 ASP H . . 4.260 3.458 2.393 4.346 0.086 10 0 "[ . 1 . 2]" 1
651 1 116 ASP H 1 116 ASP HB3 . . 4.010 3.380 2.447 3.934 . 0 0 "[ . 1 . 2]" 1
652 1 116 ASP HA 1 117 LEU H . . 3.050 2.454 2.252 2.590 . 0 0 "[ . 1 . 2]" 1
653 1 116 ASP HB3 1 117 LEU H . . 4.140 3.461 2.381 4.095 . 0 0 "[ . 1 . 2]" 1
654 1 117 LEU H 1 117 LEU HG . . 4.720 4.224 2.402 4.719 . 0 0 "[ . 1 . 2]" 1
655 1 117 LEU HA 1 117 LEU HG . . 4.200 2.761 2.170 3.642 . 0 0 "[ . 1 . 2]" 1
656 1 117 LEU HA 1 118 HIS H . . 3.390 2.489 2.177 3.600 0.210 10 0 "[ . 1 . 2]" 1
657 1 118 HIS H 1 118 HIS HB3 . . 4.170 3.387 2.728 4.042 . 0 0 "[ . 1 . 2]" 1
658 1 118 HIS HA 1 118 HIS HB3 . . 2.930 2.775 2.368 2.951 0.021 16 0 "[ . 1 . 2]" 1
659 1 118 HIS HA 1 118 HIS HD2 . . 4.510 3.624 2.003 4.491 . 0 0 "[ . 1 . 2]" 1
660 1 118 HIS HA 1 119 TYR H . . 2.590 2.377 2.194 2.587 . 0 0 "[ . 1 . 2]" 1
661 1 119 TYR H 1 119 TYR HB3 . . 2.870 2.518 2.013 2.987 0.117 9 0 "[ . 1 . 2]" 1
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