NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
408968 |
1z5f   |
5787 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1z5f
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 746
_Distance_constraint_stats_list.Viol_count 925
_Distance_constraint_stats_list.Viol_total 1723.344
_Distance_constraint_stats_list.Viol_max 1.246
_Distance_constraint_stats_list.Viol_rms 0.0446
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0058
_Distance_constraint_stats_list.Viol_average_violations_only 0.0932
_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 1 PCA 17.414 1.246 17 16 "[** *** **1****.*+*-*]"
1 2 ASP 0.100 0.058 15 0 "[ . 1 . 2]"
1 3 TRP 1.150 0.074 7 0 "[ . 1 . 2]"
1 4 GLU 0.767 0.066 18 0 "[ . 1 . 2]"
1 5 THR 12.331 0.728 17 10 "[ * *** 1 -* * +* *]"
1 6 PHE 2.490 0.130 6 0 "[ . 1 . 2]"
1 7 GLN 0.610 0.049 8 0 "[ . 1 . 2]"
1 8 LYS 2.560 0.138 13 0 "[ . 1 . 2]"
1 9 LYS 9.498 0.728 17 10 "[ * *** 1 -* * +* *]"
1 10 HIS 2.016 0.138 13 0 "[ . 1 . 2]"
1 11 LEU 1.134 0.095 18 0 "[ . 1 . 2]"
1 12 THR 0.190 0.095 18 0 "[ . 1 . 2]"
1 13 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 14 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 15 LYS 0.242 0.049 19 0 "[ . 1 . 2]"
1 16 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 17 VAL 0.000 0.000 18 0 "[ . 1 . 2]"
1 18 LYS 0.700 0.104 17 0 "[ . 1 . 2]"
1 19 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 20 ASP 1.711 0.121 14 0 "[ . 1 . 2]"
1 21 VAL 3.430 0.121 14 0 "[ . 1 . 2]"
1 22 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 23 MET 0.000 0.000 . 0 "[ . 1 . 2]"
1 24 ALA 0.202 0.030 4 0 "[ . 1 . 2]"
1 25 LYS 3.648 0.211 17 0 "[ . 1 . 2]"
1 26 ALA 1.038 0.195 17 0 "[ . 1 . 2]"
1 27 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 28 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 29 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 30 CYS 0.076 0.027 10 0 "[ . 1 . 2]"
1 31 LYS 1.006 0.088 16 0 "[ . 1 . 2]"
1 32 LYS 1.089 0.088 18 0 "[ . 1 . 2]"
1 33 THR 0.411 0.037 18 0 "[ . 1 . 2]"
1 34 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 35 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 36 PHE 2.660 0.103 20 0 "[ . 1 . 2]"
1 37 ILE 0.083 0.047 18 0 "[ . 1 . 2]"
1 38 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 39 ALA 0.242 0.031 14 0 "[ . 1 . 2]"
1 40 LEU 3.921 0.229 7 0 "[ . 1 . 2]"
1 41 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 42 GLY 3.645 0.229 7 0 "[ . 1 . 2]"
1 43 ARG 0.365 0.110 15 0 "[ . 1 . 2]"
1 44 VAL 0.509 0.077 11 0 "[ . 1 . 2]"
1 45 LYS 0.951 0.105 5 0 "[ . 1 . 2]"
1 46 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 47 LEU 0.313 0.160 11 0 "[ . 1 . 2]"
1 48 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 49 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 50 ASN 0.006 0.006 9 0 "[ . 1 . 2]"
1 51 ILE 4.614 0.224 14 0 "[ . 1 . 2]"
1 52 ARG 4.709 0.224 14 0 "[ . 1 . 2]"
1 53 ASP 5.821 0.246 4 0 "[ . 1 . 2]"
1 54 ASN 4.348 0.246 4 0 "[ . 1 . 2]"
1 55 THR 0.609 0.042 2 0 "[ . 1 . 2]"
1 56 ASP 0.609 0.042 2 0 "[ . 1 . 2]"
1 57 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 58 LEU 2.511 0.241 1 0 "[ . 1 . 2]"
1 59 SER 3.399 0.241 1 0 "[ . 1 . 2]"
1 60 ARG 0.170 0.048 15 0 "[ . 1 . 2]"
1 61 ASP 1.028 0.072 4 0 "[ . 1 . 2]"
1 62 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 63 PHE 0.023 0.006 15 0 "[ . 1 . 2]"
1 64 LEU 0.000 0.000 20 0 "[ . 1 . 2]"
1 65 LEU 0.427 0.033 8 0 "[ . 1 . 2]"
1 66 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 67 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 68 CYS 1.597 0.103 1 0 "[ . 1 . 2]"
1 69 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 70 ARG 0.273 0.041 10 0 "[ . 1 . 2]"
1 71 ILE 0.088 0.022 8 0 "[ . 1 . 2]"
1 72 LYS 0.850 0.129 13 0 "[ . 1 . 2]"
1 73 LEU 1.120 0.143 11 0 "[ . 1 . 2]"
1 74 PRO 0.107 0.073 17 0 "[ . 1 . 2]"
1 75 CYS 0.197 0.073 17 0 "[ . 1 . 2]"
1 76 HIS 0.089 0.023 17 0 "[ . 1 . 2]"
1 77 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 78 LYS 0.178 0.119 19 0 "[ . 1 . 2]"
1 79 LEU 0.178 0.119 19 0 "[ . 1 . 2]"
1 80 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 81 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 82 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 83 THR 4.828 0.227 14 0 "[ . 1 . 2]"
1 84 ASN 1.037 0.149 12 0 "[ . 1 . 2]"
1 85 THR 1.313 0.072 4 0 "[ . 1 . 2]"
1 86 ILE 1.284 0.216 20 0 "[ . 1 . 2]"
1 87 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 88 ILE 0.780 0.098 17 0 "[ . 1 . 2]"
1 89 THR 2.473 0.166 18 0 "[ . 1 . 2]"
1 90 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 91 VAL 4.418 0.307 4 0 "[ . 1 . 2]"
1 92 ASN 7.869 0.307 4 0 "[ . 1 . 2]"
1 93 GLN 4.747 0.298 17 0 "[ . 1 . 2]"
1 94 LEU 0.993 0.074 7 0 "[ . 1 . 2]"
1 95 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 96 ILE 0.815 0.090 18 0 "[ . 1 . 2]"
1 97 HIS 19.903 1.246 17 16 "[** *** **1****.*+*-*]"
1 98 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 99 ALA 0.522 0.098 16 0 "[ . 1 . 2]"
1 100 GLY 0.494 0.098 16 0 "[ . 1 . 2]"
1 101 VAL 1.013 0.149 12 0 "[ . 1 . 2]"
1 102 GLY 0.479 0.055 9 0 "[ . 1 . 2]"
1 103 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 104 CYS 1.173 0.191 7 0 "[ . 1 . 2]"
1 105 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 1 PCA HA 1 2 ASP H 5.160 . 5.160 3.321 3.208 3.444 . 0 0 "[ . 1 . 2]" 1
2 1 1 PCA HA 1 96 ILE HB 5.000 . 5.000 3.424 3.204 4.011 . 0 0 "[ . 1 . 2]" 1
3 1 1 PCA HA 1 97 HIS QB 5.000 . 5.000 5.871 5.150 6.246 1.246 17 16 "[** *** **1****.*+*-*]" 1
4 1 2 ASP HA 1 3 TRP H 4.230 . 4.230 2.201 2.185 2.239 . 0 0 "[ . 1 . 2]" 1
5 1 2 ASP QB 1 4 GLU H 4.510 . 4.510 2.731 2.498 3.405 . 0 0 "[ . 1 . 2]" 1
6 1 2 ASP QB 1 5 THR H 5.500 . 5.500 2.759 2.556 2.916 . 0 0 "[ . 1 . 2]" 1
7 1 2 ASP H 1 5 THR H 5.200 . 5.200 5.106 4.860 5.215 0.015 15 0 "[ . 1 . 2]" 1
8 1 2 ASP H 1 5 THR MG 4.580 . 4.580 2.905 2.662 3.146 . 0 0 "[ . 1 . 2]" 1
9 1 2 ASP H 1 6 PHE H 5.200 . 5.200 3.527 3.300 3.715 . 0 0 "[ . 1 . 2]" 1
10 1 2 ASP H 1 96 ILE MD 4.700 . 4.700 3.694 3.517 4.127 . 0 0 "[ . 1 . 2]" 1
11 1 2 ASP H 1 96 ILE HB 4.700 . 4.700 2.335 1.742 2.571 0.058 15 0 "[ . 1 . 2]" 1
12 1 2 ASP H 1 96 ILE MG 4.700 . 4.700 3.185 2.821 3.570 . 0 0 "[ . 1 . 2]" 1
13 1 3 TRP HA 1 3 TRP HE3 4.680 . 4.680 2.173 2.058 2.277 . 0 0 "[ . 1 . 2]" 1
14 1 3 TRP H 1 4 GLU H 4.700 . 4.700 2.823 2.722 2.937 . 0 0 "[ . 1 . 2]" 1
15 1 3 TRP HE3 1 6 PHE QB 5.500 . 5.500 2.684 2.335 3.373 . 0 0 "[ . 1 . 2]" 1
16 1 3 TRP HA 1 6 PHE QB 5.490 . 5.490 2.247 2.187 2.344 . 0 0 "[ . 1 . 2]" 1
17 1 3 TRP HE3 1 11 LEU QD 5.500 . 5.500 4.066 3.824 4.130 . 0 0 "[ . 1 . 2]" 1
18 1 3 TRP HH2 1 11 LEU QD 5.500 . 5.500 2.341 2.167 3.012 . 0 0 "[ . 1 . 2]" 1
19 1 3 TRP HZ3 1 11 LEU QD 5.000 . 5.000 2.297 2.197 2.478 . 0 0 "[ . 1 . 2]" 1
20 1 3 TRP HZ2 1 41 PRO QB 5.500 . 5.500 2.992 2.404 3.487 . 0 0 "[ . 1 . 2]" 1
21 1 3 TRP HZ2 1 41 PRO QG 5.500 . 5.500 4.342 3.965 4.797 . 0 0 "[ . 1 . 2]" 1
22 1 3 TRP HZ2 1 41 PRO HA 5.000 . 5.000 2.980 2.613 3.359 . 0 0 "[ . 1 . 2]" 1
23 1 3 TRP HZ2 1 45 LYS QB 5.500 . 5.500 4.084 3.498 4.982 . 0 0 "[ . 1 . 2]" 1
24 1 3 TRP HZ2 1 45 LYS HA 5.500 . 5.500 5.475 5.315 5.516 0.016 7 0 "[ . 1 . 2]" 1
25 1 3 TRP HD1 1 94 LEU HA 5.200 . 5.200 5.238 5.220 5.269 0.069 10 0 "[ . 1 . 2]" 1
26 1 3 TRP HD1 1 94 LEU HG 4.740 . 4.740 4.027 3.038 4.814 0.074 7 0 "[ . 1 . 2]" 1
27 1 3 TRP HD1 1 94 LEU QD 5.500 . 5.500 2.398 2.079 2.873 . 0 0 "[ . 1 . 2]" 1
28 1 3 TRP QB 1 94 LEU QB 5.500 . 5.500 2.527 2.158 3.165 . 0 0 "[ . 1 . 2]" 1
29 1 3 TRP HD1 1 94 LEU QB 5.500 . 5.500 4.635 4.264 4.951 . 0 0 "[ . 1 . 2]" 1
30 1 3 TRP QB 1 94 LEU QD 5.500 . 5.500 2.082 1.910 2.344 . 0 0 "[ . 1 . 2]" 1
31 1 3 TRP H 1 96 ILE QG 5.500 . 5.500 2.075 1.876 2.278 . 0 0 "[ . 1 . 2]" 1
32 1 3 TRP HE3 1 96 ILE HA 5.500 . 5.500 3.997 3.718 4.179 . 0 0 "[ . 1 . 2]" 1
33 1 4 GLU QG 1 5 THR H 5.500 . 5.500 3.574 2.644 4.089 . 0 0 "[ . 1 . 2]" 1
34 1 4 GLU QB 1 5 THR H 4.520 . 4.520 1.893 1.809 2.042 . 0 0 "[ . 1 . 2]" 1
35 1 4 GLU H 1 5 THR H 3.200 . 3.200 3.201 3.131 3.225 0.025 20 0 "[ . 1 . 2]" 1
36 1 4 GLU HA 1 7 GLN HE21 4.430 . 4.430 3.596 2.897 4.106 . 0 0 "[ . 1 . 2]" 1
37 1 4 GLU HA 1 7 GLN QG 5.200 . 5.200 4.584 4.553 4.711 . 0 0 "[ . 1 . 2]" 1
38 1 4 GLU HA 1 8 LYS H 4.700 . 4.700 4.722 4.650 4.766 0.066 18 0 "[ . 1 . 2]" 1
39 1 4 GLU H 1 96 ILE MG 5.200 . 5.200 4.206 4.156 4.237 . 0 0 "[ . 1 . 2]" 1
40 1 5 THR H 1 5 THR HB 3.980 . 3.980 2.506 2.401 2.627 . 0 0 "[ . 1 . 2]" 1
41 1 5 THR H 1 6 PHE H 4.660 . 4.660 2.917 2.868 2.956 . 0 0 "[ . 1 . 2]" 1
42 1 5 THR HA 1 6 PHE H 4.820 . 4.820 3.577 3.556 3.588 . 0 0 "[ . 1 . 2]" 1
43 1 5 THR HB 1 6 PHE H 5.500 . 5.500 3.774 3.718 3.836 . 0 0 "[ . 1 . 2]" 1
44 1 5 THR MG 1 6 PHE H 4.750 . 4.750 1.728 1.670 1.835 0.130 6 0 "[ . 1 . 2]" 1
45 1 5 THR H 1 6 PHE HA 5.490 . 5.490 5.508 5.484 5.534 0.044 10 0 "[ . 1 . 2]" 1
46 1 5 THR H 1 6 PHE QB 5.260 . 5.260 4.600 4.565 4.641 . 0 0 "[ . 1 . 2]" 1
47 1 5 THR MG 1 9 LYS QE 5.000 2.800 5.000 2.430 2.072 3.144 0.728 17 10 "[ * *** 1 -* * +* *]" 1
48 1 6 PHE H 1 6 PHE QB 3.880 . 3.880 2.224 2.197 2.280 . 0 0 "[ . 1 . 2]" 1
49 1 6 PHE H 1 7 GLN H 3.200 . 3.200 2.732 2.675 2.766 . 0 0 "[ . 1 . 2]" 1
50 1 6 PHE QB 1 7 GLN H 5.000 . 5.000 2.900 2.797 2.982 . 0 0 "[ . 1 . 2]" 1
51 1 6 PHE QD 1 7 GLN HA 5.150 . 5.150 3.839 2.913 4.166 . 0 0 "[ . 1 . 2]" 1
52 1 6 PHE H 1 8 LYS QG 5.500 . 5.500 4.781 4.640 4.958 . 0 0 "[ . 1 . 2]" 1
53 1 6 PHE H 1 8 LYS H 4.700 . 4.700 3.990 3.944 4.044 . 0 0 "[ . 1 . 2]" 1
54 1 3 TRP HA 1 6 PHE H 4.700 . 4.700 3.979 3.848 4.102 . 0 0 "[ . 1 . 2]" 1
55 1 3 TRP HE3 1 6 PHE QD 4.700 . 4.700 2.505 2.240 2.863 . 0 0 "[ . 1 . 2]" 1
56 1 6 PHE H 1 96 ILE HA 5.200 . 5.200 4.597 4.383 4.935 . 0 0 "[ . 1 . 2]" 1
57 1 6 PHE H 1 96 ILE HB 5.200 . 5.200 5.174 4.243 5.290 0.090 18 0 "[ . 1 . 2]" 1
58 1 6 PHE QD 1 96 ILE HB 5.500 . 5.500 4.381 4.051 4.627 . 0 0 "[ . 1 . 2]" 1
59 1 6 PHE QB 1 96 ILE HA 4.870 . 4.870 2.296 2.165 2.514 . 0 0 "[ . 1 . 2]" 1
60 1 6 PHE QD 1 96 ILE HA 5.200 . 5.200 3.055 2.960 3.164 . 0 0 "[ . 1 . 2]" 1
61 1 6 PHE QD 1 97 HIS HA 4.700 . 4.700 3.500 2.695 3.824 . 0 0 "[ . 1 . 2]" 1
62 1 6 PHE QE 1 98 PHE HA 4.790 . 4.790 3.361 2.631 3.704 . 0 0 "[ . 1 . 2]" 1
63 1 7 GLN H 1 8 LYS H 3.200 . 3.200 2.240 2.211 2.283 . 0 0 "[ . 1 . 2]" 1
64 1 7 GLN H 1 8 LYS QG 3.990 . 3.990 3.425 3.341 3.602 . 0 0 "[ . 1 . 2]" 1
65 1 7 GLN HA 1 8 LYS H 5.500 . 5.500 3.453 3.440 3.481 . 0 0 "[ . 1 . 2]" 1
66 1 7 GLN QB 1 8 LYS H 5.000 . 5.000 3.015 2.942 3.085 . 0 0 "[ . 1 . 2]" 1
67 1 7 GLN HE21 1 8 LYS QG 4.580 . 4.580 2.842 1.820 4.147 . 0 0 "[ . 1 . 2]" 1
68 1 4 GLU HA 1 7 GLN H 4.700 . 4.700 3.603 3.545 3.636 . 0 0 "[ . 1 . 2]" 1
69 1 7 GLN HA 1 11 LEU H 3.700 . 3.700 3.714 3.515 3.749 0.049 8 0 "[ . 1 . 2]" 1
70 1 7 GLN HA 1 11 LEU QD 5.500 . 5.500 2.339 2.219 2.597 . 0 0 "[ . 1 . 2]" 1
71 1 7 GLN HA 1 11 LEU QB 5.200 . 5.200 2.167 2.037 2.235 . 0 0 "[ . 1 . 2]" 1
72 1 8 LYS H 1 8 LYS QB 3.240 . 3.240 2.538 2.486 2.603 . 0 0 "[ . 1 . 2]" 1
73 1 8 LYS H 1 8 LYS QG 4.030 . 4.030 2.158 2.028 2.309 . 0 0 "[ . 1 . 2]" 1
74 1 8 LYS HA 1 9 LYS H 5.100 . 5.100 3.601 3.594 3.608 . 0 0 "[ . 1 . 2]" 1
75 1 8 LYS QB 1 9 LYS H 3.990 . 3.990 2.347 2.311 2.505 . 0 0 "[ . 1 . 2]" 1
76 1 8 LYS H 1 9 LYS H 2.700 . 2.700 2.542 2.478 2.576 . 0 0 "[ . 1 . 2]" 1
77 1 5 THR HB 1 8 LYS H 5.000 . 5.000 5.100 5.081 5.138 0.138 13 0 "[ . 1 . 2]" 1
78 1 5 THR MG 1 8 LYS H 5.500 . 5.500 4.449 4.359 4.535 . 0 0 "[ . 1 . 2]" 1
79 1 9 LYS H 1 9 LYS QG 4.500 . 4.500 1.817 1.708 1.982 0.092 16 0 "[ . 1 . 2]" 1
80 1 9 LYS H 1 10 HIS H 2.700 . 2.700 2.582 2.490 2.688 . 0 0 "[ . 1 . 2]" 1
81 1 9 LYS QG 1 10 HIS H 5.500 . 5.500 1.767 1.662 1.887 0.138 13 0 "[ . 1 . 2]" 1
82 1 9 LYS QD 1 10 HIS HD2 4.500 . 4.500 3.178 2.321 4.069 . 0 0 "[ . 1 . 2]" 1
83 1 9 LYS H 1 27 LEU QD 5.500 . 5.500 4.088 3.812 4.169 . 0 0 "[ . 1 . 2]" 1
84 1 9 LYS HA 1 27 LEU QD 5.000 . 5.000 3.159 2.940 3.406 . 0 0 "[ . 1 . 2]" 1
85 1 9 LYS HA 1 28 PHE HZ 4.730 . 4.730 3.641 2.339 4.621 . 0 0 "[ . 1 . 2]" 1
86 1 9 LYS HA 1 28 PHE QE 5.000 . 5.000 3.220 3.009 3.534 . 0 0 "[ . 1 . 2]" 1
87 1 10 HIS QB 1 11 LEU H 5.500 . 5.500 3.199 2.974 3.333 . 0 0 "[ . 1 . 2]" 1
88 1 10 HIS HA 1 11 LEU H 5.500 . 5.500 3.431 3.386 3.516 . 0 0 "[ . 1 . 2]" 1
89 1 10 HIS H 1 11 LEU H . . 2.700 2.624 2.517 2.707 0.007 3 0 "[ . 1 . 2]" 1
90 1 10 HIS HA 1 36 PHE HA 2.700 . 2.700 2.753 2.707 2.803 0.103 20 0 "[ . 1 . 2]" 1
91 1 10 HIS HA 1 36 PHE QD 5.110 . 5.110 3.634 2.824 4.214 . 0 0 "[ . 1 . 2]" 1
92 1 10 HIS HA 1 37 ILE MD 5.500 . 5.500 4.348 4.326 4.423 . 0 0 "[ . 1 . 2]" 1
93 1 10 HIS QB 1 37 ILE MD 4.800 . 4.800 2.542 2.415 2.767 . 0 0 "[ . 1 . 2]" 1
94 1 10 HIS QB 1 37 ILE QG 5.260 . 5.260 3.753 3.659 3.957 . 0 0 "[ . 1 . 2]" 1
95 1 11 LEU H 1 11 LEU QB 3.630 . 3.630 2.454 2.351 2.667 . 0 0 "[ . 1 . 2]" 1
96 1 11 LEU H 1 11 LEU QD 5.000 . 5.000 2.936 2.603 3.261 . 0 0 "[ . 1 . 2]" 1
97 1 11 LEU HG 1 12 THR H 3.790 . 3.790 3.398 3.101 3.885 0.095 18 0 "[ . 1 . 2]" 1
98 1 11 LEU HA 1 12 THR H 3.240 . 3.240 2.298 2.250 2.337 . 0 0 "[ . 1 . 2]" 1
99 1 11 LEU QB 1 12 THR H 5.060 . 5.060 2.819 2.598 2.965 . 0 0 "[ . 1 . 2]" 1
100 1 11 LEU HA 1 12 THR MG 4.440 . 4.440 3.536 3.484 3.557 . 0 0 "[ . 1 . 2]" 1
101 1 11 LEU HA 1 12 THR HB 5.500 . 5.500 4.619 4.522 4.703 . 0 0 "[ . 1 . 2]" 1
102 1 11 LEU HA 1 37 ILE H 4.050 . 4.050 1.943 1.753 2.149 0.047 18 0 "[ . 1 . 2]" 1
103 1 11 LEU QD 1 37 ILE H 4.500 . 4.500 2.895 2.642 3.523 . 0 0 "[ . 1 . 2]" 1
104 1 11 LEU HA 1 37 ILE HB 4.390 . 4.390 3.154 3.066 3.289 . 0 0 "[ . 1 . 2]" 1
105 1 11 LEU HA 1 37 ILE MD 5.500 . 5.500 4.013 3.837 4.145 . 0 0 "[ . 1 . 2]" 1
106 1 11 LEU QD 1 37 ILE MD 5.000 . 5.000 1.954 1.899 2.099 . 0 0 "[ . 1 . 2]" 1
107 1 11 LEU HA 1 39 ALA H 5.000 . 5.000 5.000 4.894 5.031 0.031 14 0 "[ . 1 . 2]" 1
108 1 11 LEU HG 1 39 ALA H 5.200 . 5.200 3.922 3.674 5.071 . 0 0 "[ . 1 . 2]" 1
109 1 11 LEU QD 1 39 ALA H 5.500 . 5.500 3.674 3.163 3.933 . 0 0 "[ . 1 . 2]" 1
110 1 12 THR H 1 12 THR MG 3.750 . 3.750 1.957 1.890 2.047 . 0 0 "[ . 1 . 2]" 1
111 1 12 THR HA 1 13 ASP H 3.400 . 3.400 2.783 2.739 2.850 . 0 0 "[ . 1 . 2]" 1
112 1 12 THR MG 1 13 ASP H 5.380 . 5.380 3.048 2.917 3.163 . 0 0 "[ . 1 . 2]" 1
113 1 12 THR HB 1 13 ASP H 5.500 . 5.500 3.422 3.376 3.481 . 0 0 "[ . 1 . 2]" 1
114 1 12 THR HA 1 14 THR H 4.940 . 4.940 4.491 4.433 4.537 . 0 0 "[ . 1 . 2]" 1
115 1 12 THR MG 1 14 THR H 4.260 . 4.260 2.258 2.090 2.460 . 0 0 "[ . 1 . 2]" 1
116 1 12 THR HB 1 17 VAL QG 5.010 . 5.010 2.309 2.240 2.506 . 0 0 "[ . 1 . 2]" 1
117 1 12 THR MG 1 17 VAL QG 3.990 . 3.990 1.863 1.833 1.910 . 0 0 "[ . 1 . 2]" 1
118 1 12 THR HB 1 36 PHE QD 5.500 . 5.500 3.941 3.548 4.431 . 0 0 "[ . 1 . 2]" 1
119 1 12 THR HB 1 36 PHE QB 5.500 . 5.500 3.226 2.984 3.439 . 0 0 "[ . 1 . 2]" 1
120 1 12 THR H 1 37 ILE H 4.700 . 4.700 3.406 3.297 3.511 . 0 0 "[ . 1 . 2]" 1
121 1 12 THR H 1 38 TYR HA 3.600 . 3.600 3.457 3.315 3.560 . 0 0 "[ . 1 . 2]" 1
122 1 12 THR H 1 39 ALA H 4.700 . 4.700 3.973 3.703 4.192 . 0 0 "[ . 1 . 2]" 1
123 1 13 ASP QB 1 14 THR H 5.500 . 5.500 3.683 3.503 4.021 . 0 0 "[ . 1 . 2]" 1
124 1 14 THR H 1 14 THR MG 3.670 . 3.670 2.305 2.131 2.471 . 0 0 "[ . 1 . 2]" 1
125 1 13 ASP H 1 14 THR H 2.700 . 2.700 2.316 2.131 2.449 . 0 0 "[ . 1 . 2]" 1
126 1 14 THR HA 1 15 LYS H 3.450 . 3.450 2.316 2.253 2.348 . 0 0 "[ . 1 . 2]" 1
127 1 14 THR HB 1 15 LYS H 5.310 . 5.310 4.002 3.944 4.137 . 0 0 "[ . 1 . 2]" 1
128 1 14 THR MG 1 15 LYS H 5.100 . 5.100 3.563 3.488 3.709 . 0 0 "[ . 1 . 2]" 1
129 1 14 THR HA 1 15 LYS QG 5.110 . 5.110 3.692 3.390 4.139 . 0 0 "[ . 1 . 2]" 1
130 1 14 THR MG 1 16 LYS H 5.010 . 5.010 2.475 2.377 2.581 . 0 0 "[ . 1 . 2]" 1
131 1 14 THR H 1 16 LYS H 5.500 . 5.500 4.938 4.767 5.108 . 0 0 "[ . 1 . 2]" 1
132 1 14 THR HA 1 16 LYS H 5.500 . 5.500 3.885 3.760 4.002 . 0 0 "[ . 1 . 2]" 1
133 1 14 THR H 1 17 VAL QG 5.200 . 5.200 3.037 2.992 3.147 . 0 0 "[ . 1 . 2]" 1
134 1 14 THR MG 1 17 VAL HA 4.290 . 4.290 1.996 1.977 2.020 . 0 0 "[ . 1 . 2]" 1
135 1 14 THR MG 1 17 VAL QG 4.350 . 4.350 2.146 2.098 2.290 . 0 0 "[ . 1 . 2]" 1
136 1 14 THR HA 1 38 TYR QD 5.500 . 5.500 3.304 3.105 3.566 . 0 0 "[ . 1 . 2]" 1
137 1 14 THR HA 1 38 TYR QE 4.410 . 4.410 2.357 2.312 2.709 . 0 0 "[ . 1 . 2]" 1
138 1 15 LYS H 1 15 LYS QB 3.630 . 3.630 2.638 2.438 2.870 . 0 0 "[ . 1 . 2]" 1
139 1 15 LYS H 1 15 LYS QG 4.000 . 4.000 1.896 1.751 2.208 0.049 19 0 "[ . 1 . 2]" 1
140 1 15 LYS H 1 16 LYS H 2.700 . 2.700 2.461 2.421 2.555 . 0 0 "[ . 1 . 2]" 1
141 1 15 LYS HA 1 16 LYS H 5.500 . 5.500 3.440 3.389 3.485 . 0 0 "[ . 1 . 2]" 1
142 1 15 LYS QB 1 16 LYS H 4.400 . 4.400 3.389 2.840 3.703 . 0 0 "[ . 1 . 2]" 1
143 1 15 LYS HA 1 64 LEU QD 5.500 . 5.500 2.792 2.587 2.967 . 0 0 "[ . 1 . 2]" 1
144 1 15 LYS QE 1 64 LEU QB 5.500 . 5.500 3.919 3.440 4.221 . 0 0 "[ . 1 . 2]" 1
145 1 15 LYS QG 1 64 LEU QD 5.500 . 5.500 3.099 2.092 3.650 . 0 0 "[ . 1 . 2]" 1
146 1 16 LYS H 1 16 LYS QD 4.170 . 4.170 3.543 1.835 3.844 . 0 0 "[ . 1 . 2]" 1
147 1 16 LYS HA 1 17 VAL H 3.650 . 3.650 2.543 2.506 2.615 . 0 0 "[ . 1 . 2]" 1
148 1 16 LYS HA 1 17 VAL MG1 5.500 . 5.500 4.256 4.182 4.357 . 0 0 "[ . 1 . 2]" 1
149 1 17 VAL H 1 17 VAL HB 3.640 . 3.640 3.635 3.627 3.640 . 18 0 "[ . 1 . 2]" 1
150 1 17 VAL H 1 17 VAL MG1 4.400 . 4.400 2.067 1.934 2.168 . 0 0 "[ . 1 . 2]" 1
151 1 17 VAL H 1 17 VAL MG2 4.400 . 4.400 2.061 2.016 2.101 . 0 0 "[ . 1 . 2]" 1
152 1 17 VAL HA 1 18 LYS H 3.170 . 3.170 2.434 2.391 2.488 . 0 0 "[ . 1 . 2]" 1
153 1 17 VAL HB 1 18 LYS H 4.380 . 4.380 2.297 2.214 2.378 . 0 0 "[ . 1 . 2]" 1
154 1 17 VAL MG1 1 18 LYS H 4.300 . 4.300 3.649 3.624 3.665 . 0 0 "[ . 1 . 2]" 1
155 1 17 VAL MG2 1 18 LYS H 4.300 . 4.300 3.302 3.177 3.456 . 0 0 "[ . 1 . 2]" 1
156 1 17 VAL HB 1 18 LYS HA 4.800 . 4.800 4.620 4.599 4.644 . 0 0 "[ . 1 . 2]" 1
157 1 17 VAL QG 1 18 LYS HA 5.500 . 5.500 3.882 3.838 3.986 . 0 0 "[ . 1 . 2]" 1
158 1 17 VAL HB 1 19 CYS H 5.200 . 5.200 3.852 3.662 3.988 . 0 0 "[ . 1 . 2]" 1
159 1 17 VAL QG 1 19 CYS H 4.460 . 4.460 2.320 2.249 2.452 . 0 0 "[ . 1 . 2]" 1
160 1 17 VAL HB 1 19 CYS HA 5.260 . 5.260 4.327 4.185 4.474 . 0 0 "[ . 1 . 2]" 1
161 1 17 VAL QG 1 19 CYS HA 5.000 . 5.000 2.982 2.915 3.077 . 0 0 "[ . 1 . 2]" 1
162 1 17 VAL QG 1 36 PHE QE 5.200 . 5.200 2.704 2.175 3.007 . 0 0 "[ . 1 . 2]" 1
163 1 17 VAL QG 1 36 PHE HZ 5.200 . 5.200 3.612 3.550 3.701 . 0 0 "[ . 1 . 2]" 1
164 1 17 VAL QG 1 36 PHE QD 5.200 . 5.200 2.948 2.497 3.157 . 0 0 "[ . 1 . 2]" 1
165 1 17 VAL QG 1 36 PHE QB 5.110 . 5.110 3.161 3.073 3.203 . 0 0 "[ . 1 . 2]" 1
166 1 17 VAL QG 1 66 PRO QG 4.770 . 4.770 1.981 1.952 2.033 . 0 0 "[ . 1 . 2]" 1
167 1 17 VAL QG 1 66 PRO HA 5.350 . 5.350 3.996 3.976 4.014 . 0 0 "[ . 1 . 2]" 1
168 1 17 VAL QG 1 66 PRO QD 5.500 . 5.500 3.562 3.499 3.589 . 0 0 "[ . 1 . 2]" 1
169 1 17 VAL QG 1 66 PRO QB 4.520 . 4.520 1.995 1.964 2.015 . 0 0 "[ . 1 . 2]" 1
170 1 17 VAL H 1 79 LEU QD 4.800 . 4.800 3.143 2.720 3.402 . 0 0 "[ . 1 . 2]" 1
171 1 18 LYS H 1 18 LYS QD 5.000 . 5.000 3.430 1.696 3.925 0.104 17 0 "[ . 1 . 2]" 1
172 1 18 LYS H 1 18 LYS QG 4.250 . 4.250 1.834 1.740 2.328 0.060 7 0 "[ . 1 . 2]" 1
173 1 18 LYS H 1 18 LYS QB 3.540 . 3.540 2.954 2.870 3.048 . 0 0 "[ . 1 . 2]" 1
174 1 18 LYS H 1 19 CYS H 4.700 . 4.700 3.507 3.432 3.540 . 0 0 "[ . 1 . 2]" 1
175 1 18 LYS HA 1 19 CYS H 3.440 . 3.440 2.499 2.477 2.520 . 0 0 "[ . 1 . 2]" 1
176 1 18 LYS QB 1 19 CYS H 4.880 . 4.880 3.961 3.946 3.989 . 0 0 "[ . 1 . 2]" 1
177 1 18 LYS QG 1 19 CYS H 5.500 . 5.500 4.199 4.105 4.646 . 0 0 "[ . 1 . 2]" 1
178 1 18 LYS QB 1 20 ASP H 5.500 . 5.500 3.618 3.416 3.820 . 0 0 "[ . 1 . 2]" 1
179 1 18 LYS QG 1 21 VAL H 4.830 . 4.830 3.280 2.784 4.344 . 0 0 "[ . 1 . 2]" 1
180 1 18 LYS QB 1 21 VAL H 4.330 . 4.330 2.860 2.774 2.968 . 0 0 "[ . 1 . 2]" 1
181 1 18 LYS QD 1 21 VAL H 5.200 . 5.200 3.645 2.598 4.744 . 0 0 "[ . 1 . 2]" 1
182 1 18 LYS QD 1 22 GLU H 4.520 . 4.520 3.813 2.292 4.094 . 0 0 "[ . 1 . 2]" 1
183 1 19 CYS HA 1 20 ASP H 5.470 . 5.470 3.557 3.524 3.582 . 0 0 "[ . 1 . 2]" 1
184 1 19 CYS QB 1 20 ASP H 4.670 . 4.670 2.624 2.467 2.798 . 0 0 "[ . 1 . 2]" 1
185 1 19 CYS H 1 20 ASP H 4.700 . 4.700 3.118 3.025 3.203 . 0 0 "[ . 1 . 2]" 1
186 1 19 CYS H 1 20 ASP QB 5.500 . 5.500 4.822 4.771 4.869 . 0 0 "[ . 1 . 2]" 1
187 1 19 CYS HA 1 22 GLU H 5.200 . 5.200 3.138 3.027 3.251 . 0 0 "[ . 1 . 2]" 1
188 1 19 CYS QB 1 77 TYR HA 5.500 . 5.500 4.865 4.762 4.939 . 0 0 "[ . 1 . 2]" 1
189 1 19 CYS HA 1 77 TYR QB 5.500 . 5.500 4.648 4.539 4.741 . 0 0 "[ . 1 . 2]" 1
190 1 19 CYS QB 1 77 TYR QB 4.510 . 4.510 2.194 2.121 2.274 . 0 0 "[ . 1 . 2]" 1
191 1 20 ASP H 1 20 ASP QB 3.560 . 3.560 2.280 2.245 2.291 . 0 0 "[ . 1 . 2]" 1
192 1 20 ASP H 1 21 VAL H 3.300 . 3.300 2.871 2.781 2.921 . 0 0 "[ . 1 . 2]" 1
193 1 20 ASP H 1 21 VAL HB 5.500 . 5.500 5.586 5.550 5.621 0.121 14 0 "[ . 1 . 2]" 1
194 1 20 ASP H 1 21 VAL MG2 5.270 . 5.270 4.067 3.861 4.177 . 0 0 "[ . 1 . 2]" 1
195 1 20 ASP HA 1 21 VAL H 5.320 . 5.320 3.543 3.529 3.560 . 0 0 "[ . 1 . 2]" 1
196 1 20 ASP HB3 1 21 VAL H 5.230 . 5.230 2.593 2.530 2.663 . 0 0 "[ . 1 . 2]" 1
197 1 20 ASP HB2 1 21 VAL H 5.230 . 5.230 3.905 3.745 3.975 . 0 0 "[ . 1 . 2]" 1
198 1 20 ASP HA 1 24 ALA MB 5.500 . 5.500 3.773 3.529 3.980 . 0 0 "[ . 1 . 2]" 1
199 1 20 ASP HA 1 77 TYR H 5.500 . 5.500 4.199 3.909 4.397 . 0 0 "[ . 1 . 2]" 1
200 1 20 ASP HA 1 77 TYR QD 5.500 . 5.500 2.554 2.326 2.871 . 0 0 "[ . 1 . 2]" 1
201 1 20 ASP QB 1 77 TYR H 5.500 . 5.500 4.608 4.436 4.670 . 0 0 "[ . 1 . 2]" 1
202 1 21 VAL H 1 21 VAL HB 3.490 . 3.490 2.815 2.747 2.932 . 0 0 "[ . 1 . 2]" 1
203 1 21 VAL QG 1 22 GLU H 5.000 . 5.000 3.235 3.128 3.333 . 0 0 "[ . 1 . 2]" 1
204 1 21 VAL HA 1 22 GLU H 5.500 . 5.500 3.535 3.511 3.552 . 0 0 "[ . 1 . 2]" 1
205 1 21 VAL H 1 22 GLU H 2.700 . 2.700 2.089 2.044 2.140 . 0 0 "[ . 1 . 2]" 1
206 1 21 VAL H 1 23 MET H 4.700 . 4.700 3.619 3.546 3.696 . 0 0 "[ . 1 . 2]" 1
207 1 21 VAL HA 1 25 LYS QG 5.200 . 5.200 3.889 3.313 4.452 . 0 0 "[ . 1 . 2]" 1
208 1 21 VAL HB 1 25 LYS HA 5.440 . 5.440 5.526 5.490 5.558 0.118 15 0 "[ . 1 . 2]" 1
209 1 22 GLU H 1 22 GLU QB 3.720 . 3.720 2.089 2.077 2.105 . 0 0 "[ . 1 . 2]" 1
210 1 22 GLU HA 1 23 MET H 5.220 . 5.220 3.320 3.256 3.377 . 0 0 "[ . 1 . 2]" 1
211 1 22 GLU QB 1 23 MET H 5.500 . 5.500 3.289 3.192 3.369 . 0 0 "[ . 1 . 2]" 1
212 1 22 GLU H 1 23 MET H 4.150 . 4.150 2.681 2.619 2.740 . 0 0 "[ . 1 . 2]" 1
213 1 22 GLU HA 1 23 MET QG 5.200 . 5.200 4.458 4.243 4.661 . 0 0 "[ . 1 . 2]" 1
214 1 22 GLU HA 1 25 LYS H 5.200 . 5.200 4.557 4.418 4.696 . 0 0 "[ . 1 . 2]" 1
215 1 23 MET H 1 23 MET QB 3.670 . 3.670 2.619 2.534 2.728 . 0 0 "[ . 1 . 2]" 1
216 1 23 MET H 1 24 ALA H 3.200 . 3.200 2.034 1.911 2.089 . 0 0 "[ . 1 . 2]" 1
217 1 23 MET H 1 24 ALA MB 5.000 . 5.000 3.809 3.778 3.850 . 0 0 "[ . 1 . 2]" 1
218 1 23 MET HA 1 24 ALA H 5.500 . 5.500 3.577 3.556 3.588 . 0 0 "[ . 1 . 2]" 1
219 1 23 MET QB 1 24 ALA H 5.500 . 5.500 2.432 2.351 2.593 . 0 0 "[ . 1 . 2]" 1
220 1 23 MET H 1 25 LYS QD 3.960 . 3.960 3.566 3.452 3.694 . 0 0 "[ . 1 . 2]" 1
221 1 23 MET HA 1 25 LYS H 5.200 . 5.200 3.504 3.368 3.674 . 0 0 "[ . 1 . 2]" 1
222 1 19 CYS HA 1 23 MET H 4.700 . 4.700 3.858 3.704 3.978 . 0 0 "[ . 1 . 2]" 1
223 1 23 MET HA 1 28 PHE QD 4.700 . 4.700 2.952 2.434 3.184 . 0 0 "[ . 1 . 2]" 1
224 1 24 ALA H 1 24 ALA MB 3.270 . 3.270 2.254 2.237 2.277 . 0 0 "[ . 1 . 2]" 1
225 1 24 ALA HA 1 25 LYS H 5.180 . 5.180 3.254 3.216 3.297 . 0 0 "[ . 1 . 2]" 1
226 1 24 ALA H 1 25 LYS QD 5.340 . 5.340 4.682 4.590 4.822 . 0 0 "[ . 1 . 2]" 1
227 1 24 ALA H 1 25 LYS H 2.700 . 2.700 2.679 2.575 2.730 0.030 4 0 "[ . 1 . 2]" 1
228 1 24 ALA HA 1 30 CYS H 4.430 . 4.430 2.271 1.920 2.378 . 0 0 "[ . 1 . 2]" 1
229 1 24 ALA MB 1 30 CYS H 4.820 . 4.820 3.980 3.670 4.075 . 0 0 "[ . 1 . 2]" 1
230 1 24 ALA MB 1 77 TYR QE 5.500 . 5.500 3.128 2.885 3.379 . 0 0 "[ . 1 . 2]" 1
231 1 25 LYS H 1 25 LYS QB 3.490 . 3.490 2.335 2.026 2.781 . 0 0 "[ . 1 . 2]" 1
232 1 25 LYS H 1 25 LYS QD 4.500 . 4.500 3.160 3.020 3.412 . 0 0 "[ . 1 . 2]" 1
233 1 25 LYS H 1 25 LYS QG 4.000 . 4.000 2.603 1.589 3.543 0.211 17 0 "[ . 1 . 2]" 1
234 1 25 LYS HA 1 26 ALA H 3.500 . 3.500 2.901 2.699 3.229 . 0 0 "[ . 1 . 2]" 1
235 1 25 LYS QB 1 26 ALA H 4.130 . 4.130 1.783 1.605 1.995 0.195 17 0 "[ . 1 . 2]" 1
236 1 25 LYS QD 1 26 ALA H 5.500 . 5.500 4.465 3.872 4.791 . 0 0 "[ . 1 . 2]" 1
237 1 25 LYS QG 1 26 ALA H 5.500 . 5.500 2.840 2.002 3.203 . 0 0 "[ . 1 . 2]" 1
238 1 25 LYS H 1 26 ALA H 5.500 . 5.500 4.426 4.116 4.593 . 0 0 "[ . 1 . 2]" 1
239 1 25 LYS QD 1 27 LEU H 5.500 . 5.500 4.611 3.661 4.948 . 0 0 "[ . 1 . 2]" 1
240 1 25 LYS QB 1 27 LEU H 3.930 . 3.930 2.473 2.114 3.230 . 0 0 "[ . 1 . 2]" 1
241 1 25 LYS HA 1 27 LEU H 5.200 . 5.200 4.580 4.277 5.170 . 0 0 "[ . 1 . 2]" 1
242 1 25 LYS QB 1 28 PHE H 5.190 . 5.190 3.450 2.948 4.447 . 0 0 "[ . 1 . 2]" 1
243 1 26 ALA H 1 27 LEU QB 5.500 . 5.500 4.141 3.625 4.422 . 0 0 "[ . 1 . 2]" 1
244 1 26 ALA H 1 27 LEU H 4.280 . 4.280 2.091 1.950 2.183 . 0 0 "[ . 1 . 2]" 1
245 1 26 ALA HA 1 27 LEU H 4.680 . 4.680 3.457 3.400 3.556 . 0 0 "[ . 1 . 2]" 1
246 1 26 ALA MB 1 27 LEU H 4.050 . 4.050 2.972 2.714 3.080 . 0 0 "[ . 1 . 2]" 1
247 1 26 ALA HA 1 27 LEU HA 5.500 . 5.500 4.653 4.628 4.699 . 0 0 "[ . 1 . 2]" 1
248 1 26 ALA MB 1 27 LEU HA 5.500 . 5.500 3.962 3.851 4.016 . 0 0 "[ . 1 . 2]" 1
249 1 26 ALA MB 1 28 PHE H 5.200 . 5.200 4.374 4.249 4.411 . 0 0 "[ . 1 . 2]" 1
250 1 26 ALA HA 1 28 PHE H 5.200 . 5.200 3.722 3.684 3.768 . 0 0 "[ . 1 . 2]" 1
251 1 26 ALA HA 1 29 ASP H 4.330 . 4.330 3.732 3.574 3.948 . 0 0 "[ . 1 . 2]" 1
252 1 27 LEU H 1 27 LEU QB 3.670 . 3.670 2.535 2.088 2.827 . 0 0 "[ . 1 . 2]" 1
253 1 27 LEU H 1 27 LEU HG 4.530 . 4.530 2.431 1.805 4.414 . 0 0 "[ . 1 . 2]" 1
254 1 27 LEU H 1 27 LEU QD 4.200 . 4.200 2.972 2.707 3.207 . 0 0 "[ . 1 . 2]" 1
255 1 27 LEU QD 1 28 PHE H 4.570 . 4.570 3.339 2.694 3.454 . 0 0 "[ . 1 . 2]" 1
256 1 27 LEU H 1 28 PHE H 5.170 . 5.170 2.377 2.278 2.611 . 0 0 "[ . 1 . 2]" 1
257 1 27 LEU HA 1 28 PHE H 4.850 . 4.850 3.316 3.279 3.386 . 0 0 "[ . 1 . 2]" 1
258 1 27 LEU QB 1 28 PHE H 4.710 . 4.710 3.819 3.396 3.874 . 0 0 "[ . 1 . 2]" 1
259 1 27 LEU H 1 29 ASP H 5.200 . 5.200 4.132 3.905 4.588 . 0 0 "[ . 1 . 2]" 1
260 1 28 PHE HA 1 29 ASP H 5.000 . 5.000 3.565 3.538 3.588 . 0 0 "[ . 1 . 2]" 1
261 1 28 PHE QB 1 29 ASP H 4.180 . 4.180 2.556 2.332 2.727 . 0 0 "[ . 1 . 2]" 1
262 1 28 PHE H 1 29 ASP HA 4.710 . 4.710 4.259 4.177 4.360 . 0 0 "[ . 1 . 2]" 1
263 1 28 PHE H 1 29 ASP QB 5.500 . 5.500 4.477 4.128 4.891 . 0 0 "[ . 1 . 2]" 1
264 1 28 PHE H 1 29 ASP H 2.700 . 2.700 2.102 1.936 2.333 . 0 0 "[ . 1 . 2]" 1
265 1 28 PHE QB 1 30 CYS H 4.890 . 4.890 2.952 2.788 3.148 . 0 0 "[ . 1 . 2]" 1
266 1 28 PHE HA 1 31 LYS HD2 5.070 . 5.070 4.518 4.262 4.888 . 0 0 "[ . 1 . 2]" 1
267 1 28 PHE QB 1 31 LYS QB 5.500 . 5.500 3.960 3.675 4.035 . 0 0 "[ . 1 . 2]" 1
268 1 28 PHE QB 1 31 LYS QD 4.590 . 4.590 3.414 3.204 3.503 . 0 0 "[ . 1 . 2]" 1
269 1 28 PHE QB 1 31 LYS QG 4.860 . 4.860 2.168 2.034 2.202 . 0 0 "[ . 1 . 2]" 1
270 1 29 ASP HA 1 30 CYS H 3.870 . 3.870 2.851 2.763 2.925 . 0 0 "[ . 1 . 2]" 1
271 1 29 ASP QB 1 30 CYS H 5.500 . 5.500 3.885 3.830 3.931 . 0 0 "[ . 1 . 2]" 1
272 1 29 ASP H 1 30 CYS H 3.200 . 3.200 2.471 2.320 2.609 . 0 0 "[ . 1 . 2]" 1
273 1 30 CYS H 1 31 LYS H 3.200 . 3.200 3.171 3.084 3.227 0.027 10 0 "[ . 1 . 2]" 1
274 1 30 CYS H 1 31 LYS QG 5.050 . 5.050 3.898 3.713 4.006 . 0 0 "[ . 1 . 2]" 1
275 1 30 CYS HA 1 31 LYS H 4.420 . 4.420 2.553 2.488 2.637 . 0 0 "[ . 1 . 2]" 1
276 1 30 CYS QB 1 31 LYS HA 5.500 . 5.500 4.693 4.426 4.779 . 0 0 "[ . 1 . 2]" 1
277 1 30 CYS QB 1 75 CYS HA 5.170 . 5.170 4.311 3.052 4.665 . 0 0 "[ . 1 . 2]" 1
278 1 30 CYS QB 1 75 CYS QB 5.500 . 5.500 3.780 2.634 4.063 . 0 0 "[ . 1 . 2]" 1
279 1 31 LYS H 1 31 LYS QD 3.930 . 3.930 3.232 2.959 3.648 . 0 0 "[ . 1 . 2]" 1
280 1 31 LYS H 1 31 LYS QG 4.040 . 4.040 1.880 1.712 2.015 0.088 16 0 "[ . 1 . 2]" 1
281 1 31 LYS HA 1 31 LYS QD 3.890 . 3.890 2.408 2.185 3.308 . 0 0 "[ . 1 . 2]" 1
282 1 30 CYS QB 1 31 LYS H 4.700 . 4.700 4.050 3.934 4.086 . 0 0 "[ . 1 . 2]" 1
283 1 31 LYS HA 1 32 LYS H 3.770 . 3.770 3.101 2.994 3.254 . 0 0 "[ . 1 . 2]" 1
284 1 31 LYS QB 1 32 LYS H 4.040 . 4.040 1.775 1.712 1.830 0.088 18 0 "[ . 1 . 2]" 1
285 1 31 LYS QD 1 32 LYS H 5.080 . 5.080 4.420 4.211 4.517 . 0 0 "[ . 1 . 2]" 1
286 1 31 LYS H 1 32 LYS H 4.700 . 4.700 4.150 3.901 4.279 . 0 0 "[ . 1 . 2]" 1
287 1 28 PHE QB 1 31 LYS H 4.700 . 4.700 2.840 2.736 3.044 . 0 0 "[ . 1 . 2]" 1
288 1 32 LYS H 1 32 LYS QD 5.440 . 5.440 4.168 3.881 4.801 . 0 0 "[ . 1 . 2]" 1
289 1 32 LYS H 1 32 LYS QG 4.160 . 4.160 2.517 2.024 3.779 . 0 0 "[ . 1 . 2]" 1
290 1 32 LYS H 1 32 LYS QB 3.870 . 3.870 2.954 2.442 3.170 . 0 0 "[ . 1 . 2]" 1
291 1 32 LYS H 1 33 THR H 3.200 . 3.200 1.782 1.763 1.850 0.037 18 0 "[ . 1 . 2]" 1
292 1 32 LYS HA 1 70 ARG H . . 4.200 4.124 3.665 4.221 0.021 10 0 "[ . 1 . 2]" 1
293 1 32 LYS HA 1 70 ARG HA 5.250 . 5.250 4.767 4.480 4.977 . 0 0 "[ . 1 . 2]" 1
294 1 32 LYS HA 1 70 ARG QG 4.120 . 4.120 3.448 3.040 3.770 . 0 0 "[ . 1 . 2]" 1
295 1 32 LYS HA 1 70 ARG QD 5.430 . 5.430 3.297 2.224 4.912 . 0 0 "[ . 1 . 2]" 1
296 1 33 THR MG 1 34 ASN HA 5.380 . 5.380 3.639 3.512 3.865 . 0 0 "[ . 1 . 2]" 1
297 1 33 THR HA 1 34 ASN HA 5.500 . 5.500 4.521 4.479 4.562 . 0 0 "[ . 1 . 2]" 1
298 1 34 ASN HA 1 35 THR H 3.770 . 3.770 2.300 2.266 2.319 . 0 0 "[ . 1 . 2]" 1
299 1 34 ASN H 1 35 THR H 5.000 . 5.000 4.373 4.322 4.435 . 0 0 "[ . 1 . 2]" 1
300 1 34 ASN QB 1 68 CYS H 3.580 . 3.580 3.045 2.875 3.344 . 0 0 "[ . 1 . 2]" 1
301 1 34 ASN H 1 68 CYS QB 5.200 . 5.200 2.811 2.484 3.386 . 0 0 "[ . 1 . 2]" 1
302 1 34 ASN H 1 68 CYS H 4.700 . 4.700 3.051 2.943 3.255 . 0 0 "[ . 1 . 2]" 1
303 1 35 THR MG 1 36 PHE H 3.750 . 3.750 2.090 1.931 2.967 . 0 0 "[ . 1 . 2]" 1
304 1 35 THR MG 1 36 PHE HA 5.370 . 5.370 3.347 3.143 3.642 . 0 0 "[ . 1 . 2]" 1
305 1 35 THR HA 1 36 PHE H . . 2.700 2.338 2.308 2.355 . 0 0 "[ . 1 . 2]" 1
306 1 35 THR HA 1 68 CYS H 5.200 . 5.200 3.400 3.349 3.517 . 0 0 "[ . 1 . 2]" 1
307 1 35 THR MG 1 98 PHE HZ 4.200 . 4.200 3.113 2.354 3.424 . 0 0 "[ . 1 . 2]" 1
308 1 36 PHE H 1 36 PHE QD 4.140 . 4.140 2.449 2.103 3.130 . 0 0 "[ . 1 . 2]" 1
309 1 36 PHE QB 1 37 ILE H 3.830 . 3.830 2.390 2.259 2.455 . 0 0 "[ . 1 . 2]" 1
310 1 36 PHE HA 1 37 ILE QG 5.500 . 5.500 3.174 3.083 3.278 . 0 0 "[ . 1 . 2]" 1
311 1 36 PHE HA 1 37 ILE H . . 2.700 2.604 2.547 2.687 . 0 0 "[ . 1 . 2]" 1
312 1 36 PHE HA 1 37 ILE MD 5.500 . 5.500 4.077 3.841 4.263 . 0 0 "[ . 1 . 2]" 1
313 1 36 PHE H 1 65 LEU QB 4.600 . 4.600 3.251 3.183 3.304 . 0 0 "[ . 1 . 2]" 1
314 1 36 PHE H 1 65 LEU MD1 5.200 . 5.200 4.340 4.315 4.355 . 0 0 "[ . 1 . 2]" 1
315 1 36 PHE H 1 67 GLN HA 4.650 . 4.650 3.551 3.366 3.645 . 0 0 "[ . 1 . 2]" 1
316 1 36 PHE H 1 68 CYS H 5.200 . 5.200 5.280 5.249 5.303 0.103 1 0 "[ . 1 . 2]" 1
317 1 37 ILE H 1 37 ILE HB 3.640 . 3.640 2.709 2.650 2.797 . 0 0 "[ . 1 . 2]" 1
318 1 37 ILE H 1 37 ILE QG 4.010 . 4.010 2.700 2.515 2.811 . 0 0 "[ . 1 . 2]" 1
319 1 37 ILE H 1 37 ILE MG 4.800 . 4.800 3.899 3.875 3.931 . 0 0 "[ . 1 . 2]" 1
320 1 37 ILE QG 1 38 TYR H 5.500 . 5.500 4.257 4.176 4.344 . 0 0 "[ . 1 . 2]" 1
321 1 37 ILE MG 1 38 TYR H 3.880 . 3.880 2.580 2.457 2.740 . 0 0 "[ . 1 . 2]" 1
322 1 37 ILE HA 1 38 TYR H . . 2.700 2.205 2.185 2.226 . 0 0 "[ . 1 . 2]" 1
323 1 37 ILE MG 1 38 TYR HA 5.280 . 5.280 4.058 3.982 4.222 . 0 0 "[ . 1 . 2]" 1
324 1 37 ILE MG 1 63 PHE QD 5.190 . 5.190 3.192 2.713 3.694 . 0 0 "[ . 1 . 2]" 1
325 1 37 ILE MG 1 63 PHE QB 4.400 . 4.400 2.874 2.719 3.007 . 0 0 "[ . 1 . 2]" 1
326 1 37 ILE HA 1 65 LEU HA 5.000 . 5.000 2.607 2.481 2.798 . 0 0 "[ . 1 . 2]" 1
327 1 37 ILE HA 1 65 LEU QD 5.210 . 5.210 2.847 2.794 2.890 . 0 0 "[ . 1 . 2]" 1
328 1 37 ILE MG 1 65 LEU HA 5.500 . 5.500 3.816 3.644 4.078 . 0 0 "[ . 1 . 2]" 1
329 1 37 ILE MG 1 65 LEU QB 5.430 . 5.430 3.135 2.992 3.355 . 0 0 "[ . 1 . 2]" 1
330 1 37 ILE MG 1 65 LEU MD2 5.000 . 5.000 2.276 2.135 2.463 . 0 0 "[ . 1 . 2]" 1
331 1 37 ILE HA 1 66 PRO QD 5.370 . 5.370 2.812 2.682 2.967 . 0 0 "[ . 1 . 2]" 1
332 1 38 TYR H 1 38 TYR QB 3.630 . 3.630 2.341 2.305 2.370 . 0 0 "[ . 1 . 2]" 1
333 1 38 TYR HA 1 38 TYR HD1 4.460 . 4.460 2.350 2.298 2.551 . 0 0 "[ . 1 . 2]" 1
334 1 38 TYR QB 1 39 ALA H 5.500 . 5.500 4.010 3.987 4.038 . 0 0 "[ . 1 . 2]" 1
335 1 38 TYR HA 1 39 ALA H . . 2.700 2.255 2.231 2.288 . 0 0 "[ . 1 . 2]" 1
336 1 38 TYR QD 1 39 ALA HA 5.500 . 5.500 4.336 4.130 4.421 . 0 0 "[ . 1 . 2]" 1
337 1 38 TYR H 1 64 LEU QB 5.200 . 5.200 4.410 4.386 4.431 . 0 0 "[ . 1 . 2]" 1
338 1 38 TYR QB 1 64 LEU H 5.200 . 5.200 4.293 4.212 4.319 . 0 0 "[ . 1 . 2]" 1
339 1 38 TYR QD 1 64 LEU MD2 5.100 . 5.100 3.450 3.282 3.700 . 0 0 "[ . 1 . 2]" 1
340 1 38 TYR QB 1 64 LEU MD2 5.500 . 5.500 2.678 2.524 2.883 . 0 0 "[ . 1 . 2]" 1
341 1 38 TYR HD2 1 64 LEU QB 5.120 . 5.120 2.889 2.751 3.114 . 0 0 "[ . 1 . 2]" 1
342 1 38 TYR H 1 65 LEU QB 4.850 . 4.850 3.350 3.278 3.471 . 0 0 "[ . 1 . 2]" 1
343 1 38 TYR H 1 65 LEU MD2 4.070 . 4.070 3.306 3.298 3.319 . 0 0 "[ . 1 . 2]" 1
344 1 38 TYR H 1 65 LEU HA 4.500 . 4.500 2.385 2.319 2.456 . 0 0 "[ . 1 . 2]" 1
345 1 38 TYR H 1 66 PRO QG 5.000 . 5.000 4.570 4.553 4.590 . 0 0 "[ . 1 . 2]" 1
346 1 38 TYR H 1 66 PRO QD 4.000 . 4.000 2.868 2.832 2.893 . 0 0 "[ . 1 . 2]" 1
347 1 39 ALA MB 1 40 LEU H 4.260 . 4.260 2.652 2.446 2.745 . 0 0 "[ . 1 . 2]" 1
348 1 40 LEU H 1 40 LEU HG 3.920 . 3.920 2.840 2.714 2.928 . 0 0 "[ . 1 . 2]" 1
349 1 40 LEU H 1 40 LEU QB 3.850 . 3.850 2.314 2.262 2.384 . 0 0 "[ . 1 . 2]" 1
350 1 40 LEU H 1 40 LEU MD2 4.560 . 4.560 3.252 3.161 3.307 . 0 0 "[ . 1 . 2]" 1
351 1 40 LEU HA 1 40 LEU MD1 3.990 . 3.990 3.234 3.201 3.268 . 0 0 "[ . 1 . 2]" 1
352 1 39 ALA HA 1 40 LEU H 2.700 . 2.700 2.350 2.311 2.430 . 0 0 "[ . 1 . 2]" 1
353 1 40 LEU HA 1 41 PRO QD 4.090 . 4.090 2.056 2.011 2.102 . 0 0 "[ . 1 . 2]" 1
354 1 40 LEU QB 1 41 PRO QD 4.920 . 4.920 2.372 2.252 2.523 . 0 0 "[ . 1 . 2]" 1
355 1 40 LEU MD1 1 41 PRO QD 4.450 . 4.450 2.234 2.209 2.285 . 0 0 "[ . 1 . 2]" 1
356 1 40 LEU HG 1 42 GLY H 4.320 . 4.320 3.392 3.174 3.804 . 0 0 "[ . 1 . 2]" 1
357 1 40 LEU QB 1 42 GLY H 5.070 . 5.070 4.025 3.990 4.070 . 0 0 "[ . 1 . 2]" 1
358 1 40 LEU MD1 1 42 GLY H 4.960 . 4.960 1.618 1.571 1.705 0.229 7 0 "[ . 1 . 2]" 1
359 1 40 LEU HG 1 43 ARG H 4.110 . 4.110 1.864 1.788 2.028 0.012 14 0 "[ . 1 . 2]" 1
360 1 40 LEU QB 1 43 ARG H 4.510 . 4.510 4.050 3.967 4.098 . 0 0 "[ . 1 . 2]" 1
361 1 40 LEU MD1 1 43 ARG H 4.740 . 4.740 2.242 1.690 2.579 0.110 15 0 "[ . 1 . 2]" 1
362 1 41 PRO HA 1 42 GLY H 5.500 . 5.500 3.588 3.582 3.603 . 0 0 "[ . 1 . 2]" 1
363 1 41 PRO QB 1 42 GLY H 5.430 . 5.430 2.234 2.150 2.655 . 0 0 "[ . 1 . 2]" 1
364 1 41 PRO QG 1 42 GLY H 3.950 . 3.950 3.327 2.199 3.535 . 0 0 "[ . 1 . 2]" 1
365 1 42 GLY H 1 43 ARG H 3.200 . 3.200 2.954 2.814 3.015 . 0 0 "[ . 1 . 2]" 1
366 1 42 GLY QA 1 43 ARG H . . 4.550 2.656 2.620 2.732 . 0 0 "[ . 1 . 2]" 1
367 1 42 GLY QA 1 45 LYS H . . 4.700 3.741 3.662 3.780 . 0 0 "[ . 1 . 2]" 1
368 1 42 GLY QA 1 46 ALA MB 5.170 . 5.170 3.517 3.426 3.628 . 0 0 "[ . 1 . 2]" 1
369 1 43 ARG H 1 43 ARG QB 3.310 . 3.310 2.285 2.237 2.385 . 0 0 "[ . 1 . 2]" 1
370 1 43 ARG H 1 43 ARG QG 4.430 . 4.430 3.502 2.278 4.052 . 0 0 "[ . 1 . 2]" 1
371 1 43 ARG H 1 44 VAL H 3.760 . 3.760 2.672 2.605 2.716 . 0 0 "[ . 1 . 2]" 1
372 1 43 ARG HA 1 44 VAL H 4.790 . 4.790 3.522 3.498 3.538 . 0 0 "[ . 1 . 2]" 1
373 1 43 ARG QG 1 44 VAL H 5.500 . 5.500 4.000 3.682 4.368 . 0 0 "[ . 1 . 2]" 1
374 1 43 ARG QB 1 44 VAL HA 5.030 . 5.030 4.093 3.942 4.264 . 0 0 "[ . 1 . 2]" 1
375 1 43 ARG HA 1 45 LYS H 5.200 . 5.200 5.087 5.028 5.132 . 0 0 "[ . 1 . 2]" 1
376 1 43 ARG H 1 45 LYS H 4.700 . 4.700 4.681 4.571 4.724 0.024 3 0 "[ . 1 . 2]" 1
377 1 43 ARG H 1 46 ALA MB 4.930 . 4.930 4.079 4.067 4.090 . 0 0 "[ . 1 . 2]" 1
378 1 43 ARG HA 1 46 ALA MB 4.440 . 4.440 2.191 2.132 2.231 . 0 0 "[ . 1 . 2]" 1
379 1 44 VAL H 1 44 VAL HB 3.350 . 3.350 2.539 2.399 2.955 . 0 0 "[ . 1 . 2]" 1
380 1 44 VAL H 1 44 VAL QG 3.640 . 3.640 2.117 1.723 2.348 0.077 11 0 "[ . 1 . 2]" 1
381 1 44 VAL QG 1 45 LYS H 4.270 . 4.270 2.951 2.846 3.021 . 0 0 "[ . 1 . 2]" 1
382 1 44 VAL HB 1 45 LYS H 4.140 . 4.140 2.232 2.186 2.299 . 0 0 "[ . 1 . 2]" 1
383 1 44 VAL H 1 45 LYS H 2.700 . 2.700 2.717 2.677 2.738 0.038 6 0 "[ . 1 . 2]" 1
384 1 44 VAL H 1 45 LYS QG 4.690 . 4.690 3.806 3.616 3.941 . 0 0 "[ . 1 . 2]" 1
385 1 45 LYS H 1 45 LYS QB 3.860 . 3.860 2.532 2.440 2.877 . 0 0 "[ . 1 . 2]" 1
386 1 45 LYS H 1 45 LYS QG 4.320 . 4.320 2.005 1.695 2.176 0.105 5 0 "[ . 1 . 2]" 1
387 1 45 LYS H 1 45 LYS QD 3.940 . 3.940 3.463 3.331 3.667 . 0 0 "[ . 1 . 2]" 1
388 1 44 VAL HA 1 45 LYS H 4.700 . 4.700 3.589 3.583 3.598 . 0 0 "[ . 1 . 2]" 1
389 1 45 LYS H 1 46 ALA H 2.700 . 2.700 2.560 2.543 2.591 . 0 0 "[ . 1 . 2]" 1
390 1 45 LYS H 1 46 ALA HA 5.500 . 5.500 5.208 5.172 5.256 . 0 0 "[ . 1 . 2]" 1
391 1 45 LYS QG 1 46 ALA H 5.300 . 5.300 2.699 2.321 3.817 . 0 0 "[ . 1 . 2]" 1
392 1 45 LYS HA 1 46 ALA H 5.500 . 5.500 3.435 3.427 3.440 . 0 0 "[ . 1 . 2]" 1
393 1 46 ALA H 1 46 ALA MB 3.140 . 3.140 2.213 2.161 2.271 . 0 0 "[ . 1 . 2]" 1
394 1 46 ALA MB 1 47 LEU H 4.010 . 4.010 2.615 2.408 2.911 . 0 0 "[ . 1 . 2]" 1
395 1 46 ALA HA 1 49 LYS H . . 4.700 3.555 3.155 4.605 . 0 0 "[ . 1 . 2]" 1
396 1 46 ALA HA 1 49 LYS QB 4.640 . 4.640 2.568 2.307 3.213 . 0 0 "[ . 1 . 2]" 1
397 1 47 LEU H 1 47 LEU HG 4.250 . 4.250 3.338 1.998 4.410 0.160 11 0 "[ . 1 . 2]" 1
398 1 47 LEU H 1 47 LEU QD 5.000 . 5.000 3.135 2.220 3.758 . 0 0 "[ . 1 . 2]" 1
399 1 46 ALA H 1 47 LEU H 4.700 . 4.700 2.495 2.302 2.710 . 0 0 "[ . 1 . 2]" 1
400 1 47 LEU H 1 48 CYS H 3.200 . 3.200 2.686 2.591 2.826 . 0 0 "[ . 1 . 2]" 1
401 1 47 LEU HA 1 48 CYS H 4.700 . 4.700 3.362 3.298 3.459 . 0 0 "[ . 1 . 2]" 1
402 1 47 LEU HG 1 48 CYS H 5.500 . 5.500 4.908 4.341 5.267 . 0 0 "[ . 1 . 2]" 1
403 1 47 LEU QB 1 48 CYS H 5.500 . 5.500 3.268 2.989 3.421 . 0 0 "[ . 1 . 2]" 1
404 1 47 LEU HA 1 49 LYS H 5.500 . 5.500 3.964 3.563 4.417 . 0 0 "[ . 1 . 2]" 1
405 1 44 VAL HA 1 47 LEU H 4.700 . 4.700 3.459 3.164 3.715 . 0 0 "[ . 1 . 2]" 1
406 1 48 CYS H 1 48 CYS QB 3.600 . 3.600 2.433 2.208 2.704 . 0 0 "[ . 1 . 2]" 1
407 1 48 CYS H 1 49 LYS QB 4.610 . 4.610 3.850 3.799 4.125 . 0 0 "[ . 1 . 2]" 1
408 1 48 CYS HA 1 49 LYS H 5.110 . 5.110 3.112 2.745 3.450 . 0 0 "[ . 1 . 2]" 1
409 1 48 CYS QB 1 49 LYS H 5.500 . 5.500 3.562 3.076 3.904 . 0 0 "[ . 1 . 2]" 1
410 1 45 LYS HA 1 48 CYS H 4.700 . 4.700 3.766 3.434 4.101 . 0 0 "[ . 1 . 2]" 1
411 1 48 CYS HA 1 51 ILE H 5.200 . 5.200 4.447 4.265 4.939 . 0 0 "[ . 1 . 2]" 1
412 1 48 CYS HA 1 51 ILE HB 5.060 . 5.060 3.912 3.316 4.604 . 0 0 "[ . 1 . 2]" 1
413 1 48 CYS HA 1 51 ILE QG 4.810 . 4.810 2.265 2.097 3.113 . 0 0 "[ . 1 . 2]" 1
414 1 48 CYS HA 1 51 ILE MG 5.190 . 5.190 3.779 2.055 4.261 . 0 0 "[ . 1 . 2]" 1
415 1 48 CYS HA 1 51 ILE MD 5.300 . 5.300 3.212 2.162 3.859 . 0 0 "[ . 1 . 2]" 1
416 1 48 CYS HA 1 93 GLN HA 5.500 . 5.500 4.107 3.810 4.784 . 0 0 "[ . 1 . 2]" 1
417 1 48 CYS QB 1 93 GLN HA 4.560 . 4.560 2.332 2.183 3.140 . 0 0 "[ . 1 . 2]" 1
418 1 48 CYS QB 1 93 GLN QB 5.330 . 5.330 3.415 3.156 4.307 . 0 0 "[ . 1 . 2]" 1
419 1 48 CYS QB 1 94 LEU HA 5.500 . 5.500 3.380 3.117 3.997 . 0 0 "[ . 1 . 2]" 1
420 1 49 LYS H 1 49 LYS QG 4.010 . 4.010 2.525 1.962 3.697 . 0 0 "[ . 1 . 2]" 1
421 1 49 LYS H 1 49 LYS QB 3.210 . 3.210 2.387 2.083 2.667 . 0 0 "[ . 1 . 2]" 1
422 1 49 LYS HA 1 50 ASN H 3.340 . 3.340 2.259 2.178 2.395 . 0 0 "[ . 1 . 2]" 1
423 1 49 LYS QB 1 50 ASN H 4.320 . 4.320 3.112 2.633 3.719 . 0 0 "[ . 1 . 2]" 1
424 1 49 LYS QG 1 50 ASN H 4.400 . 4.400 3.425 2.121 3.974 . 0 0 "[ . 1 . 2]" 1
425 1 49 LYS H 1 50 ASN H 5.500 . 5.500 4.597 4.450 4.682 . 0 0 "[ . 1 . 2]" 1
426 1 49 LYS HA 1 51 ILE H 4.940 . 4.940 3.422 3.139 4.578 . 0 0 "[ . 1 . 2]" 1
427 1 49 LYS HA 1 93 GLN QG 5.500 . 5.500 4.409 3.105 4.970 . 0 0 "[ . 1 . 2]" 1
428 1 49 LYS HA 1 93 GLN QB 4.290 . 4.290 2.563 2.090 2.905 . 0 0 "[ . 1 . 2]" 1
429 1 50 ASN H 1 51 ILE H 3.200 . 3.200 2.751 2.481 3.206 0.006 9 0 "[ . 1 . 2]" 1
430 1 50 ASN H 1 93 GLN QB 3.990 . 3.990 3.184 2.454 3.608 . 0 0 "[ . 1 . 2]" 1
431 1 51 ILE H 1 51 ILE HB 3.420 . 3.420 2.650 2.449 3.588 0.168 5 0 "[ . 1 . 2]" 1
432 1 51 ILE H 1 51 ILE QG 4.020 . 4.020 2.174 1.768 2.441 0.032 9 0 "[ . 1 . 2]" 1
433 1 51 ILE H 1 51 ILE MG 4.400 . 4.400 3.654 2.706 3.795 . 0 0 "[ . 1 . 2]" 1
434 1 51 ILE H 1 51 ILE MD 4.240 . 4.240 3.336 3.158 3.585 . 0 0 "[ . 1 . 2]" 1
435 1 51 ILE HA 1 52 ARG H 3.330 . 3.330 2.633 2.504 3.405 0.075 9 0 "[ . 1 . 2]" 1
436 1 51 ILE HB 1 52 ARG H 3.370 . 3.370 3.172 1.773 3.434 0.064 19 0 "[ . 1 . 2]" 1
437 1 51 ILE MG 1 52 ARG H 3.960 . 3.960 1.884 1.576 3.460 0.224 14 0 "[ . 1 . 2]" 1
438 1 51 ILE MD 1 52 ARG H 4.220 . 4.220 3.213 2.285 3.434 . 0 0 "[ . 1 . 2]" 1
439 1 51 ILE H 1 52 ARG H 4.700 . 4.700 4.475 3.354 4.653 . 0 0 "[ . 1 . 2]" 1
440 1 51 ILE H 1 93 GLN QB 4.270 . 4.270 3.591 3.199 3.817 . 0 0 "[ . 1 . 2]" 1
441 1 52 ARG HA 1 53 ASP H 3.470 . 3.470 3.067 2.744 3.570 0.100 16 0 "[ . 1 . 2]" 1
442 1 52 ARG QB 1 53 ASP H 4.080 . 4.080 1.988 1.756 3.153 0.044 8 0 "[ . 1 . 2]" 1
443 1 53 ASP H 1 53 ASP QB 3.750 . 3.750 2.661 2.411 3.285 . 0 0 "[ . 1 . 2]" 1
444 1 53 ASP QB 1 54 ASN H 3.700 . 3.700 1.852 1.733 2.340 0.067 4 0 "[ . 1 . 2]" 1
445 1 53 ASP H 1 54 ASN H . . 4.700 4.249 4.101 4.350 . 0 0 "[ . 1 . 2]" 1
446 1 53 ASP QB 1 54 ASN QD 5.500 . 5.500 2.946 1.979 4.404 . 0 0 "[ . 1 . 2]" 1
447 1 53 ASP HA 1 91 VAL H 5.500 . 5.500 5.533 5.249 5.587 0.087 6 0 "[ . 1 . 2]" 1
448 1 53 ASP HA 1 91 VAL HA 4.770 . 4.770 2.999 2.671 3.337 . 0 0 "[ . 1 . 2]" 1
449 1 53 ASP HA 1 91 VAL MG2 5.370 . 5.370 3.768 2.266 4.516 . 0 0 "[ . 1 . 2]" 1
450 1 53 ASP HA 1 92 ASN H 4.850 . 4.850 3.176 2.555 4.799 . 0 0 "[ . 1 . 2]" 1
451 1 53 ASP HA 1 54 ASN H 2.700 . 2.700 2.902 2.808 2.946 0.246 4 0 "[ . 1 . 2]" 1
452 1 54 ASN H 1 55 THR H 4.500 . 4.500 4.416 4.243 4.469 . 0 0 "[ . 1 . 2]" 1
453 1 54 ASN QB 1 55 THR H 5.500 . 5.500 3.517 3.436 3.704 . 0 0 "[ . 1 . 2]" 1
454 1 54 ASN H 1 91 VAL QG 5.500 . 5.500 3.303 2.819 3.878 . 0 0 "[ . 1 . 2]" 1
455 1 55 THR HA 1 55 THR MG 3.720 . 3.720 2.191 2.146 2.226 . 0 0 "[ . 1 . 2]" 1
456 1 54 ASN HA 1 55 THR H 2.700 . 2.700 2.184 2.164 2.249 . 0 0 "[ . 1 . 2]" 1
457 1 55 THR MG 1 56 ASP H 3.730 . 3.730 2.109 1.778 2.842 0.022 9 0 "[ . 1 . 2]" 1
458 1 55 THR HA 1 56 ASP H . . 2.700 2.408 2.300 2.474 . 0 0 "[ . 1 . 2]" 1
459 1 55 THR HB 1 56 ASP H . . 3.200 3.228 3.180 3.242 0.042 2 0 "[ . 1 . 2]" 1
460 1 55 THR H 1 89 THR MG 3.870 . 3.870 2.735 2.396 2.841 . 0 0 "[ . 1 . 2]" 1
461 1 55 THR H 1 90 CYS H 4.700 . 4.700 2.748 2.400 3.068 . 0 0 "[ . 1 . 2]" 1
462 1 56 ASP QB 1 57 VAL H 3.840 . 3.840 3.282 2.700 3.511 . 0 0 "[ . 1 . 2]" 1
463 1 56 ASP H 1 57 VAL MG1 5.500 . 5.500 4.366 4.147 4.472 . 0 0 "[ . 1 . 2]" 1
464 1 56 ASP HA 1 89 THR HA 4.220 . 4.220 2.487 2.290 2.712 . 0 0 "[ . 1 . 2]" 1
465 1 56 ASP QB 1 89 THR HA 5.410 . 5.410 4.379 3.961 4.690 . 0 0 "[ . 1 . 2]" 1
466 1 56 ASP HA 1 90 CYS H 4.600 . 4.600 3.997 3.656 4.238 . 0 0 "[ . 1 . 2]" 1
467 1 57 VAL H 1 57 VAL HB 4.190 . 4.190 3.773 3.703 3.959 . 0 0 "[ . 1 . 2]" 1
468 1 57 VAL H 1 57 VAL QG 3.720 . 3.720 1.988 1.851 2.224 . 0 0 "[ . 1 . 2]" 1
469 1 56 ASP HA 1 57 VAL H 2.700 . 2.700 2.212 2.177 2.333 . 0 0 "[ . 1 . 2]" 1
470 1 57 VAL QG 1 58 LEU H 3.970 . 3.970 2.989 2.823 3.160 . 0 0 "[ . 1 . 2]" 1
471 1 57 VAL H 1 88 ILE QG 5.050 . 5.050 4.200 3.992 4.541 . 0 0 "[ . 1 . 2]" 1
472 1 57 VAL H 1 88 ILE MG 5.200 . 5.200 3.925 3.603 4.089 . 0 0 "[ . 1 . 2]" 1
473 1 57 VAL H 1 88 ILE H 3.860 . 3.860 2.980 2.662 3.392 . 0 0 "[ . 1 . 2]" 1
474 1 57 VAL H 1 89 THR HA 4.520 . 4.520 3.134 2.655 3.541 . 0 0 "[ . 1 . 2]" 1
475 1 57 VAL H 1 90 CYS H 5.200 . 5.200 4.233 3.884 4.952 . 0 0 "[ . 1 . 2]" 1
476 1 57 VAL QG 1 90 CYS H 4.310 . 4.310 2.935 2.685 3.110 . 0 0 "[ . 1 . 2]" 1
477 1 58 LEU H 1 58 LEU HB3 3.800 . 3.800 3.090 2.850 3.239 . 0 0 "[ . 1 . 2]" 1
478 1 58 LEU H 1 58 LEU HB2 3.800 . 3.800 2.964 2.621 3.547 . 0 0 "[ . 1 . 2]" 1
479 1 57 VAL HA 1 58 LEU H 2.700 . 2.700 2.503 2.433 2.608 . 0 0 "[ . 1 . 2]" 1
480 1 58 LEU QB 1 59 SER H 4.290 . 4.290 3.598 3.421 3.699 . 0 0 "[ . 1 . 2]" 1
481 1 58 LEU QD 1 59 SER H 3.910 . 3.910 1.824 1.559 2.115 0.241 1 0 "[ . 1 . 2]" 1
482 1 58 LEU HA 1 59 SER HA 5.460 . 5.460 4.413 4.388 4.436 . 0 0 "[ . 1 . 2]" 1
483 1 58 LEU QD 1 59 SER QB 5.500 . 5.500 2.938 2.748 3.128 . 0 0 "[ . 1 . 2]" 1
484 1 58 LEU MD2 1 86 ILE H 5.500 . 5.500 4.192 3.799 4.602 . 0 0 "[ . 1 . 2]" 1
485 1 58 LEU MD1 1 86 ILE H 5.500 . 5.500 2.515 2.125 3.007 . 0 0 "[ . 1 . 2]" 1
486 1 58 LEU MD2 1 87 CYS H 5.500 . 5.500 3.806 3.272 4.527 . 0 0 "[ . 1 . 2]" 1
487 1 58 LEU MD1 1 87 CYS H 5.500 . 5.500 3.886 2.749 4.463 . 0 0 "[ . 1 . 2]" 1
488 1 58 LEU QD 1 87 CYS HA 5.090 . 5.090 2.119 2.036 2.201 . 0 0 "[ . 1 . 2]" 1
489 1 58 LEU HA 1 87 CYS HA 4.450 . 4.450 2.493 2.213 2.742 . 0 0 "[ . 1 . 2]" 1
490 1 58 LEU QB 1 87 CYS HA 5.500 . 5.500 3.900 2.654 4.486 . 0 0 "[ . 1 . 2]" 1
491 1 58 LEU QD 1 87 CYS QB 4.970 . 4.970 2.321 1.974 3.111 . 0 0 "[ . 1 . 2]" 1
492 1 58 LEU QD 1 88 ILE H 5.500 . 5.500 3.729 3.574 3.850 . 0 0 "[ . 1 . 2]" 1
493 1 58 LEU HA 1 88 ILE H . . 4.700 3.645 3.000 3.950 . 0 0 "[ . 1 . 2]" 1
494 1 58 LEU QD 1 103 SER H 5.200 . 5.200 3.701 3.246 3.905 . 0 0 "[ . 1 . 2]" 1
495 1 58 LEU QD 1 103 SER HA 4.500 . 4.500 1.966 1.894 2.059 . 0 0 "[ . 1 . 2]" 1
496 1 58 LEU MD1 1 104 CYS H 4.600 . 4.600 3.662 3.312 3.793 . 0 0 "[ . 1 . 2]" 1
497 1 58 LEU MD2 1 104 CYS H 4.600 . 4.600 1.940 1.609 2.768 0.191 7 0 "[ . 1 . 2]" 1
498 1 58 LEU HA 1 59 SER H 2.700 . 2.700 2.268 2.234 2.291 . 0 0 "[ . 1 . 2]" 1
499 1 59 SER QB 1 60 ARG H 4.720 . 4.720 3.211 2.660 3.450 . 0 0 "[ . 1 . 2]" 1
500 1 59 SER QB 1 61 ASP H 4.200 . 4.200 3.284 2.226 3.842 . 0 0 "[ . 1 . 2]" 1
501 1 59 SER HA 1 61 ASP H 4.730 . 4.730 4.125 3.848 4.760 0.030 3 0 "[ . 1 . 2]" 1
502 1 59 SER QB 1 63 PHE QE 5.280 . 5.280 2.517 2.304 3.080 . 0 0 "[ . 1 . 2]" 1
503 1 59 SER H 1 85 THR HB 5.200 . 5.200 4.202 3.846 4.593 . 0 0 "[ . 1 . 2]" 1
504 1 59 SER HA 1 85 THR HA 5.500 . 5.500 5.128 5.010 5.236 . 0 0 "[ . 1 . 2]" 1
505 1 59 SER HA 1 85 THR MG 4.200 . 4.200 3.530 3.493 3.570 . 0 0 "[ . 1 . 2]" 1
506 1 59 SER H 1 86 ILE QG 5.130 . 5.130 3.639 2.625 4.387 . 0 0 "[ . 1 . 2]" 1
507 1 59 SER H 1 86 ILE MG 5.140 . 5.140 4.144 4.039 4.261 . 0 0 "[ . 1 . 2]" 1
508 1 59 SER H 1 86 ILE H 4.580 . 4.580 2.437 2.128 2.653 . 0 0 "[ . 1 . 2]" 1
509 1 59 SER HA 1 86 ILE H 4.800 . 4.800 4.425 4.145 4.629 . 0 0 "[ . 1 . 2]" 1
510 1 59 SER QB 1 86 ILE H 4.440 . 4.440 1.779 1.584 1.968 0.216 20 0 "[ . 1 . 2]" 1
511 1 59 SER QB 1 86 ILE QG 5.500 . 5.500 3.428 2.096 4.278 . 0 0 "[ . 1 . 2]" 1
512 1 59 SER QB 1 86 ILE MG 4.450 . 4.450 2.845 2.726 3.014 . 0 0 "[ . 1 . 2]" 1
513 1 59 SER H 1 87 CYS HA 4.700 . 4.700 3.915 3.753 4.102 . 0 0 "[ . 1 . 2]" 1
514 1 59 SER H 1 88 ILE H 5.200 . 5.200 5.150 4.740 5.298 0.098 17 0 "[ . 1 . 2]" 1
515 1 60 ARG H 1 60 ARG QB 3.460 . 3.460 2.447 2.220 2.845 . 0 0 "[ . 1 . 2]" 1
516 1 59 SER HA 1 60 ARG H 4.000 . 4.000 2.360 2.307 2.502 . 0 0 "[ . 1 . 2]" 1
517 1 60 ARG H 1 61 ASP H 2.700 . 2.700 2.643 2.426 2.748 0.048 15 0 "[ . 1 . 2]" 1
518 1 60 ARG HA 1 61 ASP H 5.500 . 5.500 3.364 3.179 3.582 . 0 0 "[ . 1 . 2]" 1
519 1 60 ARG QB 1 61 ASP H 4.160 . 4.160 3.173 2.193 3.819 . 0 0 "[ . 1 . 2]" 1
520 1 60 ARG H 1 85 THR MG 4.470 . 4.470 3.720 3.606 3.775 . 0 0 "[ . 1 . 2]" 1
521 1 61 ASP QB 1 62 ALA H 4.920 . 4.920 2.003 1.803 2.768 . 0 0 "[ . 1 . 2]" 1
522 1 61 ASP HA 1 62 ALA H 3.740 . 3.740 3.532 3.483 3.591 . 0 0 "[ . 1 . 2]" 1
523 1 61 ASP H 1 85 THR MG 5.200 . 5.200 2.452 2.079 3.318 . 0 0 "[ . 1 . 2]" 1
524 1 62 ALA HA 1 63 PHE H 3.340 . 3.340 2.455 2.387 2.519 . 0 0 "[ . 1 . 2]" 1
525 1 62 ALA MB 1 63 PHE H 3.720 . 3.720 2.379 2.197 2.574 . 0 0 "[ . 1 . 2]" 1
526 1 62 ALA H 1 63 PHE H 5.500 . 5.500 4.429 4.411 4.451 . 0 0 "[ . 1 . 2]" 1
527 1 62 ALA MB 1 63 PHE HA 5.450 . 5.450 3.889 3.860 3.919 . 0 0 "[ . 1 . 2]" 1
528 1 62 ALA HA 1 63 PHE QD 5.500 . 5.500 3.380 3.248 3.622 . 0 0 "[ . 1 . 2]" 1
529 1 62 ALA HA 1 84 ASN H 4.980 . 4.980 3.552 3.475 3.651 . 0 0 "[ . 1 . 2]" 1
530 1 62 ALA MB 1 84 ASN H 4.040 . 4.040 2.833 2.631 3.041 . 0 0 "[ . 1 . 2]" 1
531 1 62 ALA HA 1 85 THR H 5.200 . 5.200 2.984 2.856 3.101 . 0 0 "[ . 1 . 2]" 1
532 1 62 ALA MB 1 85 THR H 5.200 . 5.200 3.558 3.242 3.892 . 0 0 "[ . 1 . 2]" 1
533 1 62 ALA H 1 85 THR MG 5.200 . 5.200 3.930 3.740 4.038 . 0 0 "[ . 1 . 2]" 1
534 1 63 PHE H 1 63 PHE QD 5.390 . 5.390 3.527 3.403 3.640 . 0 0 "[ . 1 . 2]" 1
535 1 63 PHE H 1 64 LEU H 4.700 . 4.700 4.231 4.183 4.279 . 0 0 "[ . 1 . 2]" 1
536 1 63 PHE QB 1 64 LEU H 4.380 . 4.380 3.196 3.097 3.308 . 0 0 "[ . 1 . 2]" 1
537 1 63 PHE HA 1 64 LEU H . . 2.700 2.211 2.186 2.232 . 0 0 "[ . 1 . 2]" 1
538 1 63 PHE H 1 83 THR HA 5.200 . 5.200 3.022 2.991 3.052 . 0 0 "[ . 1 . 2]" 1
539 1 63 PHE H 1 83 THR MG 4.390 . 4.390 3.402 3.378 3.423 . 0 0 "[ . 1 . 2]" 1
540 1 63 PHE HA 1 83 THR MG 5.000 . 5.000 3.172 2.971 3.379 . 0 0 "[ . 1 . 2]" 1
541 1 63 PHE HA 1 83 THR HA 5.430 . 5.430 4.294 4.186 4.423 . 0 0 "[ . 1 . 2]" 1
542 1 63 PHE H 1 84 ASN H . . 2.700 1.817 1.794 1.893 0.006 15 0 "[ . 1 . 2]" 1
543 1 63 PHE H 1 85 THR HA 4.690 . 4.690 3.943 3.804 4.046 . 0 0 "[ . 1 . 2]" 1
544 1 64 LEU H 1 64 LEU QB 3.890 . 3.890 2.272 2.262 2.282 . 0 0 "[ . 1 . 2]" 1
545 1 64 LEU QB 1 65 LEU H 4.870 . 4.870 3.902 3.874 3.921 . 0 0 "[ . 1 . 2]" 1
546 1 64 LEU HG 1 65 LEU H 4.850 . 4.850 3.477 3.354 3.624 . 0 0 "[ . 1 . 2]" 1
547 1 64 LEU HA 1 65 LEU H . . 2.700 2.217 2.210 2.223 . 0 0 "[ . 1 . 2]" 1
548 1 64 LEU HA 1 83 THR HA 4.290 . 4.290 2.453 2.386 2.599 . 0 0 "[ . 1 . 2]" 1
549 1 64 LEU H 1 83 THR HB 5.500 . 5.500 5.255 5.141 5.500 0.000 20 0 "[ . 1 . 2]" 1
550 1 65 LEU H 1 65 LEU QB 3.400 . 3.400 3.142 3.129 3.147 . 0 0 "[ . 1 . 2]" 1
551 1 65 LEU HA 1 66 PRO QD 4.430 . 4.430 1.981 1.974 2.003 . 0 0 "[ . 1 . 2]" 1
552 1 65 LEU QB 1 66 PRO QD 5.500 . 5.500 2.823 2.737 3.003 . 0 0 "[ . 1 . 2]" 1
553 1 65 LEU H 1 82 SER H 4.500 . 4.500 2.767 2.689 2.910 . 0 0 "[ . 1 . 2]" 1
554 1 65 LEU QB 1 82 SER H 5.200 . 5.200 4.514 4.495 4.533 . 0 0 "[ . 1 . 2]" 1
555 1 65 LEU QD 1 82 SER H 5.500 . 5.500 4.164 4.139 4.180 . 0 0 "[ . 1 . 2]" 1
556 1 65 LEU H 1 83 THR HA 3.720 . 3.720 3.740 3.693 3.753 0.033 8 0 "[ . 1 . 2]" 1
557 1 65 LEU HG 1 83 THR HA 5.090 . 5.090 4.167 4.033 4.241 . 0 0 "[ . 1 . 2]" 1
558 1 66 PRO QB 1 67 GLN H 5.500 . 5.500 2.989 2.818 3.100 . 0 0 "[ . 1 . 2]" 1
559 1 66 PRO QG 1 67 GLN HA 5.500 . 5.500 4.710 4.658 4.759 . 0 0 "[ . 1 . 2]" 1
560 1 66 PRO HA 1 67 GLN H . . 2.700 2.364 2.325 2.416 . 0 0 "[ . 1 . 2]" 1
561 1 66 PRO HA 1 81 SER HA 4.130 . 4.130 3.089 2.863 3.241 . 0 0 "[ . 1 . 2]" 1
562 1 66 PRO HA 1 81 SER QB 4.650 . 4.650 2.237 2.071 2.457 . 0 0 "[ . 1 . 2]" 1
563 1 67 GLN QB 1 68 CYS H 4.640 . 4.640 3.268 2.753 3.726 . 0 0 "[ . 1 . 2]" 1
564 1 67 GLN H 1 79 LEU QD 5.000 . 5.000 2.751 2.467 3.080 . 0 0 "[ . 1 . 2]" 1
565 1 67 GLN HA 1 68 CYS H 2.700 . 2.700 2.215 2.182 2.282 . 0 0 "[ . 1 . 2]" 1
566 1 68 CYS QB 1 69 ASP HA 4.950 . 4.950 4.130 4.038 4.236 . 0 0 "[ . 1 . 2]" 1
567 1 68 CYS HA 1 69 ASP QB 4.910 . 4.910 4.092 4.007 4.207 . 0 0 "[ . 1 . 2]" 1
568 1 68 CYS HA 1 69 ASP H 2.700 . 2.700 2.240 2.182 2.294 . 0 0 "[ . 1 . 2]" 1
569 1 69 ASP QB 1 70 ARG H 4.680 . 4.680 3.805 3.461 3.975 . 0 0 "[ . 1 . 2]" 1
570 1 69 ASP HA 1 70 ARG H 2.700 . 2.700 2.197 2.182 2.233 . 0 0 "[ . 1 . 2]" 1
571 1 70 ARG H 1 71 ILE H 5.500 . 5.500 4.608 4.385 4.686 . 0 0 "[ . 1 . 2]" 1
572 1 70 ARG HA 1 72 LYS H 3.920 . 3.920 3.859 3.448 3.961 0.041 10 0 "[ . 1 . 2]" 1
573 1 70 ARG H 1 77 TYR QB 5.000 . 5.000 3.896 3.556 4.063 . 0 0 "[ . 1 . 2]" 1
574 1 70 ARG H 1 77 TYR QE 5.200 . 5.200 5.165 5.128 5.188 . 0 0 "[ . 1 . 2]" 1
575 1 70 ARG HA 1 77 TYR HA 4.180 . 4.180 2.256 2.192 2.296 . 0 0 "[ . 1 . 2]" 1
576 1 70 ARG HA 1 77 TYR QB 5.500 . 5.500 3.460 3.073 3.729 . 0 0 "[ . 1 . 2]" 1
577 1 70 ARG HA 1 77 TYR QE 5.500 . 5.500 4.832 4.414 5.296 . 0 0 "[ . 1 . 2]" 1
578 1 70 ARG HA 1 77 TYR QD 5.400 . 5.400 3.065 2.509 3.723 . 0 0 "[ . 1 . 2]" 1
579 1 70 ARG HA 1 78 LYS H . . 4.700 3.754 3.485 3.984 . 0 0 "[ . 1 . 2]" 1
580 1 32 LYS QE 1 70 ARG H 5.500 . 5.500 4.761 4.272 4.952 . 0 0 "[ . 1 . 2]" 1
581 1 32 LYS QG 1 70 ARG H 5.500 . 5.500 4.475 3.144 4.889 . 0 0 "[ . 1 . 2]" 1
582 1 70 ARG HA 1 71 ILE H 3.200 . 3.200 2.271 2.171 2.404 . 0 0 "[ . 1 . 2]" 1
583 1 71 ILE H 1 72 LYS H . . 2.700 1.848 1.778 2.001 0.022 8 0 "[ . 1 . 2]" 1
584 1 71 ILE HB 1 72 LYS H 5.500 . 5.500 3.318 2.528 4.206 . 0 0 "[ . 1 . 2]" 1
585 1 71 ILE MG 1 72 LYS H 4.480 . 4.480 2.912 1.939 3.713 . 0 0 "[ . 1 . 2]" 1
586 1 71 ILE H 1 77 TYR HA 4.700 . 4.700 3.678 3.131 4.130 . 0 0 "[ . 1 . 2]" 1
587 1 72 LYS H 1 72 LYS QG 5.000 . 5.000 3.355 1.970 4.242 . 0 0 "[ . 1 . 2]" 1
588 1 72 LYS HA 1 73 LEU H 3.250 . 3.250 2.491 2.235 2.544 . 0 0 "[ . 1 . 2]" 1
589 1 72 LYS QG 1 73 LEU H 5.000 . 5.000 2.593 1.671 4.158 0.129 13 0 "[ . 1 . 2]" 1
590 1 73 LEU H 1 73 LEU HG 4.000 . 4.000 3.264 2.743 4.143 0.143 11 0 "[ . 1 . 2]" 1
591 1 73 LEU H 1 73 LEU QD 5.000 . 5.000 2.238 1.816 2.711 . 0 0 "[ . 1 . 2]" 1
592 1 73 LEU HA 1 74 PRO HD2 5.470 . 5.470 3.254 3.022 3.451 . 0 0 "[ . 1 . 2]" 1
593 1 73 LEU QB 1 76 HIS H 5.500 . 5.500 3.229 2.580 3.555 . 0 0 "[ . 1 . 2]" 1
594 1 74 PRO HA 1 75 CYS H 5.500 . 5.500 3.526 3.403 3.594 . 0 0 "[ . 1 . 2]" 1
595 1 74 PRO QD 1 75 CYS H 4.680 . 4.680 2.157 1.788 3.266 0.012 12 0 "[ . 1 . 2]" 1
596 1 74 PRO QB 1 75 CYS H 4.510 . 4.510 2.953 1.727 3.594 0.073 17 0 "[ . 1 . 2]" 1
597 1 74 PRO QG 1 75 CYS H 3.670 . 3.670 2.572 1.779 3.208 0.021 14 0 "[ . 1 . 2]" 1
598 1 74 PRO QG 1 75 CYS QB 5.500 . 5.500 3.387 2.903 4.258 . 0 0 "[ . 1 . 2]" 1
599 1 74 PRO HA 1 75 CYS QB 5.500 . 5.500 4.872 4.716 5.114 . 0 0 "[ . 1 . 2]" 1
600 1 74 PRO QB 1 75 CYS QB 5.500 . 5.500 3.427 3.072 3.690 . 0 0 "[ . 1 . 2]" 1
601 1 75 CYS HA 1 76 HIS H 4.350 . 4.350 2.699 2.425 3.429 . 0 0 "[ . 1 . 2]" 1
602 1 75 CYS QB 1 76 HIS H 5.500 . 5.500 3.920 3.160 4.013 . 0 0 "[ . 1 . 2]" 1
603 1 75 CYS H 1 76 HIS H 3.200 . 3.200 3.049 2.283 3.223 0.023 17 0 "[ . 1 . 2]" 1
604 1 76 HIS H 1 76 HIS QB 3.800 . 3.800 2.608 2.337 2.770 . 0 0 "[ . 1 . 2]" 1
605 1 76 HIS QB 1 77 TYR H 4.510 . 4.510 3.551 3.381 3.890 . 0 0 "[ . 1 . 2]" 1
606 1 76 HIS HA 1 77 TYR QD 5.030 . 5.030 3.409 2.956 3.895 . 0 0 "[ . 1 . 2]" 1
607 1 77 TYR H 1 77 TYR QE 5.500 . 5.500 4.173 3.698 4.586 . 0 0 "[ . 1 . 2]" 1
608 1 77 TYR H 1 77 TYR QD 5.100 . 5.100 2.464 2.006 3.070 . 0 0 "[ . 1 . 2]" 1
609 1 76 HIS HA 1 77 TYR H 2.700 . 2.700 2.295 2.196 2.348 . 0 0 "[ . 1 . 2]" 1
610 1 77 TYR H 1 78 LYS H 5.500 . 5.500 4.479 4.461 4.554 . 0 0 "[ . 1 . 2]" 1
611 1 77 TYR HA 1 78 LYS H . . 3.200 2.419 2.345 2.476 . 0 0 "[ . 1 . 2]" 1
612 1 77 TYR QB 1 78 LYS HA 5.500 . 5.500 4.221 4.198 4.240 . 0 0 "[ . 1 . 2]" 1
613 1 78 LYS QD 1 79 LEU H 4.180 . 4.180 3.075 1.681 3.809 0.119 19 0 "[ . 1 . 2]" 1
614 1 79 LEU H 1 79 LEU QB 3.840 . 3.840 2.277 2.249 2.305 . 0 0 "[ . 1 . 2]" 1
615 1 78 LYS HA 1 79 LEU H 2.700 . 2.700 2.306 2.252 2.367 . 0 0 "[ . 1 . 2]" 1
616 1 79 LEU HA 1 80 SER H 4.340 . 4.340 2.182 2.176 2.189 . 0 0 "[ . 1 . 2]" 1
617 1 79 LEU QB 1 80 SER H 5.500 . 5.500 3.774 3.692 3.852 . 0 0 "[ . 1 . 2]" 1
618 1 79 LEU HG 1 80 SER H 5.500 . 5.500 4.019 3.291 4.863 . 0 0 "[ . 1 . 2]" 1
619 1 79 LEU QD 1 80 SER H 5.500 . 5.500 2.012 1.875 2.228 . 0 0 "[ . 1 . 2]" 1
620 1 79 LEU H 1 80 SER QB 5.500 . 5.500 4.929 4.842 4.979 . 0 0 "[ . 1 . 2]" 1
621 1 80 SER QB 1 81 SER H 5.500 . 5.500 3.796 3.500 3.892 . 0 0 "[ . 1 . 2]" 1
622 1 80 SER HA 1 81 SER H 2.700 . 2.700 2.209 2.193 2.331 . 0 0 "[ . 1 . 2]" 1
623 1 81 SER QB 1 82 SER H 4.570 . 4.570 2.846 2.616 3.330 . 0 0 "[ . 1 . 2]" 1
624 1 81 SER HA 1 82 SER H . . 2.700 2.385 2.357 2.408 . 0 0 "[ . 1 . 2]" 1
625 1 82 SER HA 1 83 THR MG 5.130 . 5.130 4.152 4.143 4.170 . 0 0 "[ . 1 . 2]" 1
626 1 66 PRO HA 1 82 SER H 4.700 . 4.700 4.577 4.443 4.658 . 0 0 "[ . 1 . 2]" 1
627 1 83 THR H 1 83 THR HB 3.180 . 3.180 3.400 3.391 3.407 0.227 14 0 "[ . 1 . 2]" 1
628 1 82 SER HA 1 83 THR H 2.700 . 2.700 2.424 2.407 2.444 . 0 0 "[ . 1 . 2]" 1
629 1 83 THR HB 1 84 ASN H 5.500 . 5.500 3.680 3.651 3.703 . 0 0 "[ . 1 . 2]" 1
630 1 83 THR MG 1 84 ASN H 4.500 . 4.500 3.624 3.593 3.653 . 0 0 "[ . 1 . 2]" 1
631 1 83 THR HA 1 84 ASN H 2.700 . 2.700 2.185 2.179 2.195 . 0 0 "[ . 1 . 2]" 1
632 1 84 ASN QB 1 85 THR H 4.030 . 4.030 2.902 2.530 3.489 . 0 0 "[ . 1 . 2]" 1
633 1 84 ASN QD 1 101 VAL HB 5.200 . 5.200 3.977 2.088 4.515 . 0 0 "[ . 1 . 2]" 1
634 1 84 ASN QD 1 101 VAL QG 4.640 . 4.640 1.895 1.651 3.004 0.149 12 0 "[ . 1 . 2]" 1
635 1 84 ASN QD 1 102 GLY HA3 5.130 . 5.130 3.416 2.056 4.599 . 0 0 "[ . 1 . 2]" 1
636 1 84 ASN QD 1 102 GLY HA2 5.200 . 5.200 2.835 1.836 4.350 . 0 0 "[ . 1 . 2]" 1
637 1 65 LEU HG 1 84 ASN H 4.500 . 4.500 4.168 3.954 4.285 . 0 0 "[ . 1 . 2]" 1
638 1 64 LEU HA 1 84 ASN H 4.700 . 4.700 4.136 4.078 4.218 . 0 0 "[ . 1 . 2]" 1
639 1 85 THR H 1 85 THR MG 4.000 . 4.000 3.452 3.418 3.507 . 0 0 "[ . 1 . 2]" 1
640 1 84 ASN HA 1 85 THR H 2.700 . 2.700 2.377 2.336 2.440 . 0 0 "[ . 1 . 2]" 1
641 1 85 THR HB 1 86 ILE H 3.290 . 3.290 3.079 2.635 3.312 0.022 8 0 "[ . 1 . 2]" 1
642 1 85 THR HB 1 86 ILE HA 5.500 . 5.500 4.142 4.056 4.237 . 0 0 "[ . 1 . 2]" 1
643 1 85 THR H 1 102 GLY HA3 5.200 . 5.200 5.207 5.000 5.255 0.055 9 0 "[ . 1 . 2]" 1
644 1 85 THR H 1 102 GLY HA2 4.910 . 4.910 3.566 3.384 3.664 . 0 0 "[ . 1 . 2]" 1
645 1 61 ASP HA 1 85 THR H 5.500 . 5.500 5.519 5.363 5.572 0.072 4 0 "[ . 1 . 2]" 1
646 1 86 ILE H 1 86 ILE MD 4.790 . 4.790 3.376 1.893 4.125 . 0 0 "[ . 1 . 2]" 1
647 1 86 ILE H 1 86 ILE QG 4.100 . 4.100 3.050 2.337 3.735 . 0 0 "[ . 1 . 2]" 1
648 1 86 ILE H 1 86 ILE MG 4.100 . 4.100 2.364 2.175 2.756 . 0 0 "[ . 1 . 2]" 1
649 1 85 THR HA 1 86 ILE H 3.000 . 3.000 2.428 2.328 2.601 . 0 0 "[ . 1 . 2]" 1
650 1 86 ILE HB 1 87 CYS H 4.400 . 4.400 3.146 2.767 3.621 . 0 0 "[ . 1 . 2]" 1
651 1 86 ILE MD 1 87 CYS H 5.500 . 5.500 4.108 2.375 4.690 . 0 0 "[ . 1 . 2]" 1
652 1 86 ILE HA 1 101 VAL HA 4.520 . 4.520 3.347 2.684 4.011 . 0 0 "[ . 1 . 2]" 1
653 1 86 ILE HA 1 102 GLY H 4.320 . 4.320 2.780 1.886 3.467 . 0 0 "[ . 1 . 2]" 1
654 1 86 ILE HA 1 87 CYS H 2.700 . 2.700 2.311 2.189 2.494 . 0 0 "[ . 1 . 2]" 1
655 1 87 CYS QB 1 88 ILE H 5.500 . 5.500 3.480 3.129 3.776 . 0 0 "[ . 1 . 2]" 1
656 1 87 CYS HA 1 88 ILE H . . 2.700 2.210 2.171 2.243 . 0 0 "[ . 1 . 2]" 1
657 1 87 CYS QB 1 99 ALA H 5.500 . 5.500 4.271 3.956 4.612 . 0 0 "[ . 1 . 2]" 1
658 1 87 CYS H 1 99 ALA MB 4.140 . 4.140 3.239 3.205 3.328 . 0 0 "[ . 1 . 2]" 1
659 1 87 CYS QB 1 99 ALA MB 5.350 . 5.350 1.994 1.868 2.127 . 0 0 "[ . 1 . 2]" 1
660 1 87 CYS H 1 100 GLY H 5.200 . 5.200 3.113 2.782 3.443 . 0 0 "[ . 1 . 2]" 1
661 1 87 CYS QB 1 100 GLY H 3.990 . 3.990 3.275 3.010 3.522 . 0 0 "[ . 1 . 2]" 1
662 1 87 CYS H 1 101 VAL HA 5.200 . 5.200 4.233 3.600 4.638 . 0 0 "[ . 1 . 2]" 1
663 1 87 CYS QB 1 104 CYS HA 4.390 . 4.390 3.218 2.176 4.042 . 0 0 "[ . 1 . 2]" 1
664 1 88 ILE H 1 88 ILE HB 4.090 . 4.090 3.761 3.607 3.890 . 0 0 "[ . 1 . 2]" 1
665 1 88 ILE H 1 88 ILE QG 4.000 . 4.000 3.614 3.500 3.810 . 0 0 "[ . 1 . 2]" 1
666 1 88 ILE HB 1 89 THR H 4.020 . 4.020 3.528 3.360 3.820 . 0 0 "[ . 1 . 2]" 1
667 1 88 ILE MG 1 89 THR H 5.000 . 5.000 4.166 4.116 4.206 . 0 0 "[ . 1 . 2]" 1
668 1 88 ILE HA 1 98 PHE HA 5.210 . 5.210 3.030 2.793 3.262 . 0 0 "[ . 1 . 2]" 1
669 1 88 ILE MG 1 98 PHE HA 4.960 . 4.960 4.116 3.812 4.234 . 0 0 "[ . 1 . 2]" 1
670 1 88 ILE MG 1 99 ALA H 5.200 . 5.200 4.015 3.688 4.222 . 0 0 "[ . 1 . 2]" 1
671 1 88 ILE HA 1 99 ALA H 3.910 . 3.910 1.911 1.784 2.063 0.016 16 0 "[ . 1 . 2]" 1
672 1 88 ILE HB 1 99 ALA H 5.500 . 5.500 3.042 2.825 3.283 . 0 0 "[ . 1 . 2]" 1
673 1 88 ILE HA 1 99 ALA MB 5.210 . 5.210 2.452 2.305 2.620 . 0 0 "[ . 1 . 2]" 1
674 1 89 THR H 1 89 THR HB 4.130 . 4.130 2.325 2.244 2.383 . 0 0 "[ . 1 . 2]" 1
675 1 89 THR H 1 89 THR MG 4.370 . 4.370 3.564 3.484 3.731 . 0 0 "[ . 1 . 2]" 1
676 1 88 ILE HA 1 89 THR H 2.700 . 2.700 2.367 2.291 2.417 . 0 0 "[ . 1 . 2]" 1
677 1 89 THR MG 1 90 CYS H 3.840 . 3.840 2.574 2.372 2.703 . 0 0 "[ . 1 . 2]" 1
678 1 89 THR H 1 90 CYS H 4.700 . 4.700 4.490 4.433 4.568 . 0 0 "[ . 1 . 2]" 1
679 1 89 THR H 1 97 HIS H 3.200 . 3.200 3.323 3.263 3.366 0.166 18 0 "[ . 1 . 2]" 1
680 1 89 THR H 1 97 HIS QB 5.000 . 5.000 2.633 2.341 2.969 . 0 0 "[ . 1 . 2]" 1
681 1 89 THR HB 1 97 HIS H 4.420 . 4.420 3.866 3.173 4.212 . 0 0 "[ . 1 . 2]" 1
682 1 89 THR MG 1 97 HIS H 4.690 . 4.690 3.629 3.563 3.727 . 0 0 "[ . 1 . 2]" 1
683 1 89 THR HB 1 97 HIS HD2 5.500 . 5.500 4.279 3.328 5.513 0.013 14 0 "[ . 1 . 2]" 1
684 1 89 THR HB 1 97 HIS QB 4.500 . 4.500 1.998 1.971 2.031 . 0 0 "[ . 1 . 2]" 1
685 1 89 THR H 1 98 PHE HA 4.700 . 4.700 3.974 3.658 4.262 . 0 0 "[ . 1 . 2]" 1
686 1 89 THR H 1 99 ALA H 5.200 . 5.200 3.660 3.566 3.752 . 0 0 "[ . 1 . 2]" 1
687 1 89 THR H 1 99 ALA MB 5.100 . 5.100 3.992 3.956 4.027 . 0 0 "[ . 1 . 2]" 1
688 1 90 CYS H 1 90 CYS QB 3.660 . 3.660 2.546 2.451 2.767 . 0 0 "[ . 1 . 2]" 1
689 1 89 THR HA 1 90 CYS H 2.700 . 2.700 2.182 2.151 2.244 . 0 0 "[ . 1 . 2]" 1
690 1 90 CYS QB 1 91 VAL H 4.190 . 4.190 3.213 2.166 3.731 . 0 0 "[ . 1 . 2]" 1
691 1 90 CYS HA 1 91 VAL H . . 3.200 2.383 2.208 2.614 . 0 0 "[ . 1 . 2]" 1
692 1 90 CYS HA 1 95 PRO HA 4.730 . 4.730 2.349 2.244 2.984 . 0 0 "[ . 1 . 2]" 1
693 1 90 CYS HA 1 96 ILE H 4.380 . 4.380 2.952 2.801 3.053 . 0 0 "[ . 1 . 2]" 1
694 1 91 VAL H 1 91 VAL HB 4.070 . 4.070 3.084 2.466 3.710 . 0 0 "[ . 1 . 2]" 1
695 1 91 VAL H 1 91 VAL QG 3.800 . 3.800 2.117 1.735 2.712 0.065 8 0 "[ . 1 . 2]" 1
696 1 91 VAL HB 1 92 ASN H 5.500 . 5.500 2.395 1.746 3.451 0.054 18 0 "[ . 1 . 2]" 1
697 1 91 VAL QG 1 92 ASN H 4.060 . 4.060 1.803 1.493 2.213 0.307 4 0 "[ . 1 . 2]" 1
698 1 91 VAL QG 1 93 GLN H 5.200 . 5.200 2.584 1.783 3.974 0.017 3 0 "[ . 1 . 2]" 1
699 1 91 VAL H 1 93 GLN H 5.500 . 5.500 3.717 2.922 4.136 . 0 0 "[ . 1 . 2]" 1
700 1 91 VAL H 1 94 LEU H 3.200 . 3.200 2.569 2.190 2.886 . 0 0 "[ . 1 . 2]" 1
701 1 91 VAL H 1 94 LEU QB 5.500 . 5.500 3.707 3.363 4.199 . 0 0 "[ . 1 . 2]" 1
702 1 91 VAL HB 1 94 LEU H 5.500 . 5.500 4.312 3.010 5.483 . 0 0 "[ . 1 . 2]" 1
703 1 91 VAL H 1 95 PRO HA 4.700 . 4.700 3.859 3.697 4.565 . 0 0 "[ . 1 . 2]" 1
704 1 91 VAL H 1 96 ILE H 5.000 . 5.000 4.614 4.192 5.044 0.044 7 0 "[ . 1 . 2]" 1
705 1 91 VAL HA 1 92 ASN H 3.200 . 3.200 3.087 2.926 3.412 0.212 20 0 "[ . 1 . 2]" 1
706 1 92 ASN QB 1 93 GLN H 4.750 . 4.750 2.829 2.465 3.865 . 0 0 "[ . 1 . 2]" 1
707 1 92 ASN HA 1 93 GLN QG 5.500 . 5.500 4.037 3.130 4.520 . 0 0 "[ . 1 . 2]" 1
708 1 92 ASN QB 1 94 LEU H 5.200 . 5.200 4.567 4.137 4.670 . 0 0 "[ . 1 . 2]" 1
709 1 93 GLN H 1 93 GLN QG 4.590 . 4.590 2.636 2.469 3.108 . 0 0 "[ . 1 . 2]" 1
710 1 92 ASN H 1 93 GLN H 3.200 . 3.200 2.925 2.735 3.346 0.146 20 0 "[ . 1 . 2]" 1
711 1 92 ASN HA 1 93 GLN H 3.200 . 3.200 3.342 2.731 3.498 0.298 17 0 "[ . 1 . 2]" 1
712 1 93 GLN H 1 94 LEU H 3.200 . 3.200 2.283 1.970 2.599 . 0 0 "[ . 1 . 2]" 1
713 1 93 GLN HA 1 94 LEU H 4.850 . 4.850 2.749 2.658 2.868 . 0 0 "[ . 1 . 2]" 1
714 1 48 CYS QB 1 94 LEU H 3.700 . 3.700 3.158 3.007 3.427 . 0 0 "[ . 1 . 2]" 1
715 1 95 PRO HA 1 97 HIS H 4.570 . 4.570 3.794 3.678 3.991 . 0 0 "[ . 1 . 2]" 1
716 1 96 ILE H 1 96 ILE QG 3.980 . 3.980 2.148 1.935 3.601 . 0 0 "[ . 1 . 2]" 1
717 1 96 ILE H 1 96 ILE MG 4.250 . 4.250 2.999 2.496 3.146 . 0 0 "[ . 1 . 2]" 1
718 1 96 ILE H 1 96 ILE MD 4.000 . 4.000 3.247 1.865 3.433 . 0 0 "[ . 1 . 2]" 1
719 1 95 PRO HA 1 96 ILE H 2.700 . 2.700 2.256 2.236 2.286 . 0 0 "[ . 1 . 2]" 1
720 1 96 ILE H 1 97 HIS QB 5.500 . 5.500 3.793 3.669 4.007 . 0 0 "[ . 1 . 2]" 1
721 1 96 ILE H 1 97 HIS H 2.700 . 2.700 1.844 1.787 1.905 0.013 16 0 "[ . 1 . 2]" 1
722 1 96 ILE HB 1 97 HIS H 5.500 . 5.500 4.234 3.962 4.532 . 0 0 "[ . 1 . 2]" 1
723 1 96 ILE MD 1 97 HIS H 3.950 . 3.950 2.778 2.090 3.102 . 0 0 "[ . 1 . 2]" 1
724 1 96 ILE QG 1 97 HIS HD2 5.500 . 5.500 4.158 2.299 4.952 . 0 0 "[ . 1 . 2]" 1
725 1 97 HIS HA 1 97 HIS HD2 4.890 . 4.890 3.970 2.269 4.665 . 0 0 "[ . 1 . 2]" 1
726 1 96 ILE HA 1 97 HIS H 4.700 . 4.700 3.457 3.391 3.563 . 0 0 "[ . 1 . 2]" 1
727 1 98 PHE QB 1 99 ALA H 5.500 . 5.500 3.966 3.891 4.010 . 0 0 "[ . 1 . 2]" 1
728 1 98 PHE HA 1 100 GLY H 5.500 . 5.500 4.646 4.485 4.829 . 0 0 "[ . 1 . 2]" 1
729 1 98 PHE HA 1 99 ALA H 2.700 . 2.700 2.227 2.191 2.254 . 0 0 "[ . 1 . 2]" 1
730 1 99 ALA H 1 100 GLY H 3.200 . 3.200 3.138 2.960 3.249 0.049 16 0 "[ . 1 . 2]" 1
731 1 99 ALA MB 1 100 GLY H 4.050 . 4.050 1.822 1.702 1.955 0.098 16 0 "[ . 1 . 2]" 1
732 1 100 GLY HA3 1 101 VAL H 3.540 . 3.540 2.366 2.190 2.518 . 0 0 "[ . 1 . 2]" 1
733 1 100 GLY HA2 1 101 VAL H 3.550 . 3.550 2.918 2.696 3.345 . 0 0 "[ . 1 . 2]" 1
734 1 101 VAL H 1 101 VAL HB 3.940 . 3.940 2.877 2.512 3.737 . 0 0 "[ . 1 . 2]" 1
735 1 101 VAL HA 1 102 GLY H 3.440 . 3.440 2.306 2.219 2.386 . 0 0 "[ . 1 . 2]" 1
736 1 101 VAL QG 1 102 GLY H 4.200 . 4.200 2.293 1.949 3.190 . 0 0 "[ . 1 . 2]" 1
737 1 101 VAL HB 1 102 GLY H 4.980 . 4.980 3.794 2.650 4.228 . 0 0 "[ . 1 . 2]" 1
738 1 101 VAL H 1 102 GLY H 5.500 . 5.500 4.559 4.372 4.647 . 0 0 "[ . 1 . 2]" 1
739 1 101 VAL QG 1 102 GLY QA 5.500 . 5.500 2.992 2.763 3.216 . 0 0 "[ . 1 . 2]" 1
740 1 102 GLY H 1 103 SER H 4.810 . 4.810 4.575 3.912 4.690 . 0 0 "[ . 1 . 2]" 1
741 1 102 GLY HA3 1 103 SER H 4.600 . 4.600 2.483 2.295 2.817 . 0 0 "[ . 1 . 2]" 1
742 1 102 GLY HA2 1 103 SER H 4.600 . 4.600 2.816 2.435 3.559 . 0 0 "[ . 1 . 2]" 1
743 1 103 SER HA 1 104 CYS H 3.440 . 3.440 2.334 2.205 2.702 . 0 0 "[ . 1 . 2]" 1
744 1 103 SER QB 1 104 CYS H 3.800 . 3.800 2.847 2.282 3.483 . 0 0 "[ . 1 . 2]" 1
745 1 104 CYS H 1 104 CYS QB 3.800 . 3.800 2.509 2.061 3.176 . 0 0 "[ . 1 . 2]" 1
746 1 104 CYS HA 1 105 PRO QB 5.490 . 5.490 4.705 4.620 4.941 . 0 0 "[ . 1 . 2]" 1
stop_
save_
save_distance_constraint_statistics_2
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 2
_Distance_constraint_stats_list.Constraint_count 62
_Distance_constraint_stats_list.Viol_count 496
_Distance_constraint_stats_list.Viol_total 401.732
_Distance_constraint_stats_list.Viol_max 0.177
_Distance_constraint_stats_list.Viol_rms 0.0295
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0162
_Distance_constraint_stats_list.Viol_average_violations_only 0.0405
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 2 ASP 0.235 0.039 18 0 "[ . 1 . 2]"
1 3 TRP 0.416 0.044 9 0 "[ . 1 . 2]"
1 4 GLU 0.001 0.001 18 0 "[ . 1 . 2]"
1 5 THR 0.019 0.012 1 0 "[ . 1 . 2]"
1 6 PHE 0.235 0.039 18 0 "[ . 1 . 2]"
1 7 GLN 0.416 0.044 9 0 "[ . 1 . 2]"
1 8 LYS 0.001 0.001 18 0 "[ . 1 . 2]"
1 9 LYS 0.019 0.012 1 0 "[ . 1 . 2]"
1 10 HIS 2.619 0.177 15 0 "[ . 1 . 2]"
1 12 THR 2.740 0.110 19 0 "[ . 1 . 2]"
1 18 LYS 0.157 0.023 10 0 "[ . 1 . 2]"
1 19 CYS 1.280 0.100 18 0 "[ . 1 . 2]"
1 20 ASP 0.612 0.052 17 0 "[ . 1 . 2]"
1 21 VAL 0.161 0.026 11 0 "[ . 1 . 2]"
1 22 GLU 0.157 0.023 10 0 "[ . 1 . 2]"
1 23 MET 1.280 0.100 18 0 "[ . 1 . 2]"
1 24 ALA 0.612 0.052 17 0 "[ . 1 . 2]"
1 25 LYS 0.161 0.026 11 0 "[ . 1 . 2]"
1 34 ASN 0.250 0.033 20 0 "[ . 1 . 2]"
1 36 PHE 0.433 0.041 16 0 "[ . 1 . 2]"
1 37 ILE 5.359 0.177 15 0 "[ . 1 . 2]"
1 38 TYR 1.112 0.091 19 0 "[ . 1 . 2]"
1 41 PRO 0.173 0.022 20 0 "[ . 1 . 2]"
1 42 GLY 0.892 0.072 16 0 "[ . 1 . 2]"
1 43 ARG 0.248 0.029 7 0 "[ . 1 . 2]"
1 45 LYS 0.173 0.022 20 0 "[ . 1 . 2]"
1 46 ALA 0.892 0.072 16 0 "[ . 1 . 2]"
1 47 LEU 0.248 0.029 7 0 "[ . 1 . 2]"
1 55 THR 0.518 0.044 12 0 "[ . 1 . 2]"
1 57 VAL 0.805 0.062 3 0 "[ . 1 . 2]"
1 59 SER 0.752 0.097 18 0 "[ . 1 . 2]"
1 63 PHE 1.822 0.078 3 0 "[ . 1 . 2]"
1 64 LEU 1.112 0.091 19 0 "[ . 1 . 2]"
1 65 LEU 0.287 0.041 12 0 "[ . 1 . 2]"
1 66 PRO 0.433 0.041 16 0 "[ . 1 . 2]"
1 67 GLN 0.449 0.043 8 0 "[ . 1 . 2]"
1 68 CYS 0.250 0.033 20 0 "[ . 1 . 2]"
1 69 ASP 1.415 0.102 10 0 "[ . 1 . 2]"
1 78 LYS 1.415 0.102 10 0 "[ . 1 . 2]"
1 80 SER 0.449 0.043 8 0 "[ . 1 . 2]"
1 82 SER 0.287 0.041 12 0 "[ . 1 . 2]"
1 84 ASN 1.822 0.078 3 0 "[ . 1 . 2]"
1 86 ILE 0.752 0.097 18 0 "[ . 1 . 2]"
1 88 ILE 0.805 0.062 3 0 "[ . 1 . 2]"
1 89 THR 2.689 0.127 15 0 "[ . 1 . 2]"
1 90 CYS 0.518 0.044 12 0 "[ . 1 . 2]"
1 97 HIS 2.689 0.127 15 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 ASP O 1 6 PHE H 1.800 . 2.300 1.913 1.854 1.996 . 0 0 "[ . 1 . 2]" 2
2 1 2 ASP O 1 6 PHE N 2.800 2.800 3.300 2.801 2.761 2.908 0.039 18 0 "[ . 1 . 2]" 2
3 1 3 TRP O 1 7 GLN H 1.800 . 2.300 2.321 2.304 2.344 0.044 9 0 "[ . 1 . 2]" 2
4 1 3 TRP O 1 7 GLN N 2.800 2.800 3.300 2.878 2.858 2.917 . 0 0 "[ . 1 . 2]" 2
5 1 4 GLU O 1 8 LYS H 1.800 . 2.300 2.253 2.175 2.301 0.001 18 0 "[ . 1 . 2]" 2
6 1 4 GLU O 1 8 LYS N 2.800 2.800 3.300 2.955 2.879 3.021 . 0 0 "[ . 1 . 2]" 2
7 1 5 THR O 1 9 LYS H 1.800 . 2.300 1.935 1.858 2.025 . 0 0 "[ . 1 . 2]" 2
8 1 5 THR O 1 9 LYS N 2.800 2.800 3.300 2.847 2.788 2.932 0.012 1 0 "[ . 1 . 2]" 2
9 1 12 THR H 1 37 ILE O 1.800 . 2.300 2.394 2.372 2.410 0.110 19 0 "[ . 1 . 2]" 2
10 1 12 THR N 1 37 ILE O 2.800 2.800 3.300 3.343 3.333 3.359 0.059 19 0 "[ . 1 . 2]" 2
11 1 10 HIS O 1 37 ILE H 1.800 . 2.300 1.942 1.800 2.123 0.000 17 0 "[ . 1 . 2]" 2
12 1 10 HIS O 1 37 ILE N 2.800 2.800 3.300 2.669 2.623 2.787 0.177 15 0 "[ . 1 . 2]" 2
13 1 18 LYS O 1 22 GLU H 1.800 . 2.300 1.862 1.801 2.108 . 0 0 "[ . 1 . 2]" 2
14 1 18 LYS O 1 22 GLU N 2.800 2.800 3.300 2.835 2.777 3.081 0.023 10 0 "[ . 1 . 2]" 2
15 1 19 CYS O 1 23 MET H 1.800 . 2.300 2.364 2.336 2.400 0.100 18 0 "[ . 1 . 2]" 2
16 1 19 CYS O 1 23 MET N 2.800 2.800 3.300 2.949 2.845 3.012 . 0 0 "[ . 1 . 2]" 2
17 1 20 ASP O 1 24 ALA H 1.800 . 2.300 2.331 2.310 2.352 0.052 17 0 "[ . 1 . 2]" 2
18 1 20 ASP O 1 24 ALA N 2.800 2.800 3.300 3.153 3.113 3.194 . 0 0 "[ . 1 . 2]" 2
19 1 21 VAL O 1 25 LYS H 1.800 . 2.300 2.261 2.166 2.326 0.026 11 0 "[ . 1 . 2]" 2
20 1 21 VAL O 1 25 LYS N 2.800 2.800 3.300 2.897 2.784 2.949 0.016 3 0 "[ . 1 . 2]" 2
21 1 41 PRO O 1 45 LYS H 1.800 . 2.300 1.883 1.827 2.231 . 0 0 "[ . 1 . 2]" 2
22 1 41 PRO O 1 45 LYS N 2.800 2.800 3.300 2.828 2.778 3.185 0.022 20 0 "[ . 1 . 2]" 2
23 1 42 GLY O 1 46 ALA H 1.800 . 2.300 2.038 1.993 2.122 . 0 0 "[ . 1 . 2]" 2
24 1 42 GLY O 1 46 ALA N 2.800 2.800 3.300 2.755 2.728 2.798 0.072 16 0 "[ . 1 . 2]" 2
25 1 43 ARG O 1 47 LEU H 1.800 . 2.300 2.309 2.236 2.329 0.029 7 0 "[ . 1 . 2]" 2
26 1 43 ARG O 1 47 LEU N 2.800 2.800 3.300 3.116 2.879 3.265 . 0 0 "[ . 1 . 2]" 2
27 1 57 VAL H 1 88 ILE O 1.800 . 2.300 1.937 1.809 2.135 . 0 0 "[ . 1 . 2]" 2
28 1 57 VAL N 1 88 ILE O 2.800 2.800 3.300 2.861 2.752 3.072 0.048 16 0 "[ . 1 . 2]" 2
29 1 57 VAL O 1 88 ILE H 1.800 . 2.300 2.274 2.056 2.362 0.062 3 0 "[ . 1 . 2]" 2
30 1 57 VAL O 1 88 ILE N 2.800 2.800 3.300 3.196 3.012 3.290 . 0 0 "[ . 1 . 2]" 2
31 1 59 SER H 1 86 ILE O 1.800 . 2.300 2.252 2.079 2.397 0.097 18 0 "[ . 1 . 2]" 2
32 1 59 SER N 1 86 ILE O 2.800 2.800 3.300 3.174 2.976 3.342 0.042 18 0 "[ . 1 . 2]" 2
33 1 65 LEU H 1 82 SER O 1.800 . 2.300 2.314 2.303 2.341 0.041 12 0 "[ . 1 . 2]" 2
34 1 65 LEU N 1 82 SER O 2.800 2.800 3.300 3.249 3.236 3.293 . 0 0 "[ . 1 . 2]" 2
35 1 67 GLN H 1 80 SER O 1.800 . 2.300 2.236 1.928 2.323 0.023 8 0 "[ . 1 . 2]" 2
36 1 67 GLN N 1 80 SER O 2.800 2.800 3.300 2.787 2.757 2.853 0.043 8 0 "[ . 1 . 2]" 2
37 1 67 GLN O 1 80 SER H 1.800 . 2.300 2.192 1.970 2.320 0.020 17 0 "[ . 1 . 2]" 2
38 1 67 GLN O 1 80 SER N 2.800 2.800 3.300 3.082 2.904 3.228 . 0 0 "[ . 1 . 2]" 2
39 1 69 ASP O 1 78 LYS H 1.800 . 2.300 1.980 1.892 2.179 . 0 0 "[ . 1 . 2]" 2
40 1 69 ASP O 1 78 LYS N 2.800 2.800 3.300 2.848 2.781 3.014 0.019 8 0 "[ . 1 . 2]" 2
41 1 89 THR H 1 97 HIS O 1.800 . 2.300 2.091 1.818 2.316 0.016 1 0 "[ . 1 . 2]" 2
42 1 89 THR N 1 97 HIS O 2.800 2.800 3.300 2.995 2.774 3.207 0.026 13 0 "[ . 1 . 2]" 2
43 1 89 THR O 1 97 HIS H 1.800 . 2.300 2.402 2.361 2.427 0.127 15 0 "[ . 1 . 2]" 2
44 1 89 THR O 1 97 HIS N 2.800 2.800 3.300 3.321 3.253 3.381 0.081 19 0 "[ . 1 . 2]" 2
45 1 55 THR O 1 90 CYS H 1.800 . 2.300 2.296 2.180 2.344 0.044 12 0 "[ . 1 . 2]" 2
46 1 55 THR O 1 90 CYS N 2.800 2.800 3.300 3.202 3.092 3.262 . 0 0 "[ . 1 . 2]" 2
47 1 34 ASN H 1 68 CYS O 1.800 . 2.300 2.270 2.054 2.333 0.033 20 0 "[ . 1 . 2]" 2
48 1 34 ASN N 1 68 CYS O 2.800 2.800 3.300 3.192 2.811 3.295 . 0 0 "[ . 1 . 2]" 2
49 1 34 ASN O 1 68 CYS H 1.800 . 2.300 1.923 1.851 1.999 . 0 0 "[ . 1 . 2]" 2
50 1 34 ASN O 1 68 CYS N 2.800 2.800 3.300 2.834 2.784 2.888 0.016 20 0 "[ . 1 . 2]" 2
51 1 36 PHE H 1 66 PRO O 1.800 . 2.300 2.315 2.173 2.341 0.041 16 0 "[ . 1 . 2]" 2
52 1 36 PHE N 1 66 PRO O 2.800 2.800 3.300 3.147 2.933 3.212 . 0 0 "[ . 1 . 2]" 2
53 1 38 TYR H 1 64 LEU O 1.800 . 2.300 2.356 2.326 2.391 0.091 19 0 "[ . 1 . 2]" 2
54 1 38 TYR N 1 64 LEU O 2.800 2.800 3.300 3.214 3.177 3.243 . 0 0 "[ . 1 . 2]" 2
55 1 55 THR H 1 90 CYS O 1.800 . 2.300 2.300 2.199 2.343 0.043 20 0 "[ . 1 . 2]" 2
56 1 55 THR N 1 90 CYS O 2.800 2.800 3.300 3.175 3.079 3.258 . 0 0 "[ . 1 . 2]" 2
57 1 63 PHE H 1 84 ASN O 1.800 . 2.300 2.340 2.313 2.366 0.066 18 0 "[ . 1 . 2]" 2
58 1 63 PHE N 1 84 ASN O 2.800 2.800 3.300 3.034 2.935 3.129 . 0 0 "[ . 1 . 2]" 2
59 1 63 PHE O 1 84 ASN H 1.800 . 2.300 2.351 2.318 2.378 0.078 3 0 "[ . 1 . 2]" 2
60 1 63 PHE O 1 84 ASN N 2.800 2.800 3.300 3.272 3.246 3.295 . 0 0 "[ . 1 . 2]" 2
61 1 69 ASP H 1 78 LYS O 1.800 . 2.300 2.366 2.324 2.402 0.102 10 0 "[ . 1 . 2]" 2
62 1 69 ASP N 1 78 LYS O 2.800 2.800 3.300 3.230 3.150 3.330 0.030 8 0 "[ . 1 . 2]" 2
stop_
save_
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