NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
452383 |
2uzg   |
cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2uzg
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 1621
_Distance_constraint_stats_list.Viol_count 1069
_Distance_constraint_stats_list.Viol_total 324.479
_Distance_constraint_stats_list.Viol_max 0.072
_Distance_constraint_stats_list.Viol_rms 0.0039
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0005
_Distance_constraint_stats_list.Viol_average_violations_only 0.0152
_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 3 ARG 0.002 0.001 20 0 "[ . 1 . 2]"
1 4 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 5 HIS 0.030 0.008 16 0 "[ . 1 . 2]"
1 6 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 7 PRO 0.289 0.019 1 0 "[ . 1 . 2]"
1 8 HIS 1.931 0.061 16 0 "[ . 1 . 2]"
1 9 LEU 0.828 0.050 6 0 "[ . 1 . 2]"
1 10 ASP 0.039 0.018 16 0 "[ . 1 . 2]"
1 11 SER 0.346 0.036 12 0 "[ . 1 . 2]"
1 12 VAL 0.634 0.036 12 0 "[ . 1 . 2]"
1 13 GLY 0.013 0.005 5 0 "[ . 1 . 2]"
1 14 GLU 0.002 0.002 11 0 "[ . 1 . 2]"
1 15 ILE 0.312 0.032 8 0 "[ . 1 . 2]"
1 16 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 17 LYS 0.014 0.007 19 0 "[ . 1 . 2]"
1 18 GLU 0.155 0.017 10 0 "[ . 1 . 2]"
1 19 ASP 0.468 0.032 8 0 "[ . 1 . 2]"
1 20 LEU 0.356 0.024 19 0 "[ . 1 . 2]"
1 21 ILE 0.344 0.028 9 0 "[ . 1 . 2]"
1 22 GLN 1.775 0.063 12 0 "[ . 1 . 2]"
1 23 LYS 0.523 0.038 10 0 "[ . 1 . 2]"
1 24 SER 0.000 0.000 2 0 "[ . 1 . 2]"
1 25 LEU 0.889 0.063 12 0 "[ . 1 . 2]"
1 26 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 27 THR 0.129 0.030 4 0 "[ . 1 . 2]"
1 28 CYS 0.208 0.028 15 0 "[ . 1 . 2]"
1 29 GLN 0.023 0.005 18 0 "[ . 1 . 2]"
1 30 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 31 CYS 0.331 0.024 16 0 "[ . 1 . 2]"
1 32 LYS 0.066 0.019 14 0 "[ . 1 . 2]"
1 33 VAL 0.164 0.028 15 0 "[ . 1 . 2]"
1 34 GLN 0.151 0.059 12 0 "[ . 1 . 2]"
1 35 GLY 0.232 0.059 12 0 "[ . 1 . 2]"
1 36 PRO 0.448 0.054 18 0 "[ . 1 . 2]"
1 37 ASN 0.545 0.054 18 0 "[ . 1 . 2]"
1 38 LEU 0.005 0.003 9 0 "[ . 1 . 2]"
1 39 TRP 0.100 0.010 3 0 "[ . 1 . 2]"
1 40 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 41 CYS 0.302 0.021 17 0 "[ . 1 . 2]"
1 42 LEU 0.329 0.019 4 0 "[ . 1 . 2]"
1 43 GLU 0.367 0.020 19 0 "[ . 1 . 2]"
1 44 ASN 3.097 0.072 9 0 "[ . 1 . 2]"
1 45 ARG 0.377 0.038 19 0 "[ . 1 . 2]"
1 46 CYS 0.126 0.013 5 0 "[ . 1 . 2]"
1 47 SER 0.003 0.003 13 0 "[ . 1 . 2]"
1 48 TYR 0.323 0.021 17 0 "[ . 1 . 2]"
1 49 VAL 0.014 0.005 14 0 "[ . 1 . 2]"
1 50 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 51 CYS 0.044 0.015 16 0 "[ . 1 . 2]"
1 52 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 53 GLU 0.048 0.008 11 0 "[ . 1 . 2]"
1 54 SER 0.006 0.006 1 0 "[ . 1 . 2]"
1 55 GLN 0.034 0.016 15 0 "[ . 1 . 2]"
1 56 VAL 0.126 0.011 5 0 "[ . 1 . 2]"
1 57 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 58 HIS 0.372 0.024 16 0 "[ . 1 . 2]"
1 59 SER 0.010 0.003 17 0 "[ . 1 . 2]"
1 60 THR 0.178 0.019 16 0 "[ . 1 . 2]"
1 61 ILE 1.225 0.047 10 0 "[ . 1 . 2]"
1 62 HIS 0.596 0.035 5 0 "[ . 1 . 2]"
1 63 SER 0.046 0.016 15 0 "[ . 1 . 2]"
1 64 GLN 1.178 0.047 10 0 "[ . 1 . 2]"
1 65 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 66 THR 0.410 0.013 16 0 "[ . 1 . 2]"
1 67 LYS 0.045 0.010 16 0 "[ . 1 . 2]"
1 68 HIS 0.481 0.013 16 0 "[ . 1 . 2]"
1 69 TYR 1.184 0.039 10 0 "[ . 1 . 2]"
1 70 LEU 0.292 0.026 3 0 "[ . 1 . 2]"
1 71 THR 0.233 0.026 3 0 "[ . 1 . 2]"
1 72 VAL 0.630 0.024 19 0 "[ . 1 . 2]"
1 73 ASN 0.068 0.009 8 0 "[ . 1 . 2]"
1 74 LEU 0.114 0.013 5 0 "[ . 1 . 2]"
1 75 THR 0.539 0.040 17 0 "[ . 1 . 2]"
1 76 THR 0.275 0.038 11 0 "[ . 1 . 2]"
1 77 LEU 0.091 0.018 14 0 "[ . 1 . 2]"
1 78 ARG 0.024 0.012 7 0 "[ . 1 . 2]"
1 79 VAL 0.034 0.010 6 0 "[ . 1 . 2]"
1 80 TRP 0.116 0.007 12 0 "[ . 1 . 2]"
1 81 CYS 0.689 0.050 6 0 "[ . 1 . 2]"
1 82 TYR 0.553 0.023 14 0 "[ . 1 . 2]"
1 83 ALA 0.104 0.011 12 0 "[ . 1 . 2]"
1 84 CYS 0.719 0.027 20 0 "[ . 1 . 2]"
1 85 SER 0.091 0.010 10 0 "[ . 1 . 2]"
1 86 LYS 0.035 0.014 18 0 "[ . 1 . 2]"
1 87 GLU 0.043 0.010 6 0 "[ . 1 . 2]"
1 88 VAL 0.056 0.007 6 0 "[ . 1 . 2]"
1 89 PHE 0.004 0.003 6 0 "[ . 1 . 2]"
1 90 LEU 0.020 0.005 8 0 "[ . 1 . 2]"
1 91 ASP 0.010 0.003 19 0 "[ . 1 . 2]"
1 92 ARG 0.082 0.024 4 0 "[ . 1 . 2]"
1 93 LYS 0.115 0.035 4 0 "[ . 1 . 2]"
1 94 LEU 0.239 0.071 7 0 "[ . 1 . 2]"
1 95 GLY 0.132 0.054 4 0 "[ . 1 . 2]"
1 96 THR 0.473 0.052 18 0 "[ . 1 . 2]"
1 97 GLN 0.473 0.052 18 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 3 ARG QB 1 3 ARG HE 3.000 . 3.500 2.908 2.037 3.501 0.001 20 0 "[ . 1 . 2]" 1
2 1 4 ASN HA 1 4 ASN HD22 5.000 . 6.000 4.193 3.384 5.303 . 0 0 "[ . 1 . 2]" 1
3 1 4 ASN QB 1 4 ASN HD22 3.000 . 3.500 3.275 3.213 3.405 . 0 0 "[ . 1 . 2]" 1
4 1 5 HIS HA 1 5 HIS HD2 5.000 . 6.000 2.362 2.020 4.727 . 0 0 "[ . 1 . 2]" 1
5 1 6 CYS H 1 6 CYS HB3 3.000 . 3.500 2.227 2.127 2.478 . 0 0 "[ . 1 . 2]" 1
6 1 6 CYS H 1 6 CYS HB2 3.000 . 3.500 3.207 2.958 3.499 . 0 0 "[ . 1 . 2]" 1
7 1 6 CYS HA 1 6 CYS HB2 3.000 . 3.500 2.275 2.265 2.285 . 0 0 "[ . 1 . 2]" 1
8 1 8 HIS H 1 8 HIS HB3 3.000 . 3.500 3.551 3.544 3.561 0.061 16 0 "[ . 1 . 2]" 1
9 1 8 HIS H 1 8 HIS HB2 3.000 . 3.500 2.798 2.687 2.852 . 0 0 "[ . 1 . 2]" 1
10 1 8 HIS H 1 8 HIS HD2 4.000 . 4.750 3.810 3.703 3.969 . 0 0 "[ . 1 . 2]" 1
11 1 8 HIS H 1 8 HIS HE1 5.000 . 6.000 4.137 4.109 4.255 . 0 0 "[ . 1 . 2]" 1
12 1 8 HIS HA 1 8 HIS HB3 3.000 . 3.500 2.372 2.357 2.384 . 0 0 "[ . 1 . 2]" 1
13 1 8 HIS HA 1 8 HIS HB2 3.000 . 3.500 3.015 3.011 3.019 . 0 0 "[ . 1 . 2]" 1
14 1 8 HIS HA 1 8 HIS HD2 3.000 . 3.500 3.038 3.004 3.076 . 0 0 "[ . 1 . 2]" 1
15 1 8 HIS HB3 1 8 HIS HD2 3.000 . 3.500 2.914 2.891 2.934 . 0 0 "[ . 1 . 2]" 1
16 1 8 HIS HB2 1 8 HIS HD2 4.000 . 4.750 3.943 3.937 3.948 . 0 0 "[ . 1 . 2]" 1
17 1 9 LEU H 1 9 LEU HA 3.000 . 3.500 2.856 2.850 2.865 . 0 0 "[ . 1 . 2]" 1
18 1 9 LEU H 1 9 LEU HB3 3.000 . 3.500 2.633 2.554 2.691 . 0 0 "[ . 1 . 2]" 1
19 1 9 LEU H 1 9 LEU HB2 4.000 . 4.750 3.601 3.596 3.606 . 0 0 "[ . 1 . 2]" 1
20 1 9 LEU H 1 9 LEU HG 3.000 . 3.500 2.078 1.981 2.235 . 0 0 "[ . 1 . 2]" 1
21 1 9 LEU H 1 9 LEU MD1 5.000 . 6.000 3.601 3.513 3.727 . 0 0 "[ . 1 . 2]" 1
22 1 9 LEU H 1 9 LEU MD2 4.000 . 4.750 3.021 2.972 3.057 . 0 0 "[ . 1 . 2]" 1
23 1 9 LEU HA 1 9 LEU HB3 3.000 . 3.500 2.434 2.404 2.475 . 0 0 "[ . 1 . 2]" 1
24 1 9 LEU HA 1 9 LEU HB2 3.000 . 3.500 2.437 2.390 2.466 . 0 0 "[ . 1 . 2]" 1
25 1 9 LEU HA 1 9 LEU HG 4.000 . 4.750 3.653 3.642 3.669 . 0 0 "[ . 1 . 2]" 1
26 1 9 LEU HA 1 9 LEU MD2 4.000 . 4.750 4.053 4.037 4.072 . 0 0 "[ . 1 . 2]" 1
27 1 9 LEU HB3 1 9 LEU HG 3.000 . 3.500 2.673 2.660 2.686 . 0 0 "[ . 1 . 2]" 1
28 1 9 LEU HB3 1 9 LEU MD2 2.500 . 2.800 2.179 2.120 2.193 . 0 0 "[ . 1 . 2]" 1
29 1 9 LEU HB2 1 9 LEU HG 3.000 . 3.500 2.972 2.965 2.978 . 0 0 "[ . 1 . 2]" 1
30 1 9 LEU HB2 1 9 LEU MD1 2.500 . 2.800 2.086 2.007 2.152 . 0 0 "[ . 1 . 2]" 1
31 1 10 ASP H 1 10 ASP HA 3.000 . 3.500 2.790 2.774 2.810 . 0 0 "[ . 1 . 2]" 1
32 1 10 ASP H 1 10 ASP QB 3.000 . 3.500 2.213 2.101 2.318 . 0 0 "[ . 1 . 2]" 1
33 1 11 SER H 1 11 SER HA 3.000 . 3.500 2.892 2.880 2.905 . 0 0 "[ . 1 . 2]" 1
34 1 11 SER H 1 11 SER QB 3.000 . 3.500 2.365 2.147 2.938 . 0 0 "[ . 1 . 2]" 1
35 1 12 VAL H 1 12 VAL HA 3.000 . 3.500 2.847 2.799 2.868 . 0 0 "[ . 1 . 2]" 1
36 1 12 VAL H 1 12 VAL HB 4.000 . 4.750 3.627 3.616 3.636 . 0 0 "[ . 1 . 2]" 1
37 1 12 VAL H 1 12 VAL MG1 3.000 . 3.500 2.257 2.016 2.456 . 0 0 "[ . 1 . 2]" 1
38 1 12 VAL H 1 12 VAL MG2 3.000 . 3.500 2.060 1.919 2.410 . 0 0 "[ . 1 . 2]" 1
39 1 12 VAL HA 1 12 VAL HB 3.000 . 3.500 2.449 2.398 2.470 . 0 0 "[ . 1 . 2]" 1
40 1 12 VAL HA 1 12 VAL MG1 3.000 . 3.500 2.352 2.223 2.447 . 0 0 "[ . 1 . 2]" 1
41 1 14 GLU H 1 14 GLU HA 3.000 . 3.500 2.926 2.835 2.948 . 0 0 "[ . 1 . 2]" 1
42 1 14 GLU H 1 14 GLU HB3 3.000 . 3.500 3.060 2.892 3.187 . 0 0 "[ . 1 . 2]" 1
43 1 14 GLU H 1 14 GLU HB2 3.000 . 3.500 2.808 2.170 3.020 . 0 0 "[ . 1 . 2]" 1
44 1 14 GLU H 1 14 GLU QG 4.000 . 4.750 4.139 3.829 4.346 . 0 0 "[ . 1 . 2]" 1
45 1 14 GLU HA 1 14 GLU QG 3.000 . 3.500 2.232 2.074 2.596 . 0 0 "[ . 1 . 2]" 1
46 1 15 ILE H 1 15 ILE HA 3.000 . 3.500 2.932 2.894 2.948 . 0 0 "[ . 1 . 2]" 1
47 1 15 ILE H 1 15 ILE HB 3.000 . 3.500 2.730 2.560 2.932 . 0 0 "[ . 1 . 2]" 1
48 1 15 ILE H 1 15 ILE MG 4.000 . 4.750 3.004 1.894 3.876 . 0 0 "[ . 1 . 2]" 1
49 1 15 ILE H 1 15 ILE MD 5.000 . 6.000 4.092 3.472 4.588 . 0 0 "[ . 1 . 2]" 1
50 1 15 ILE H 1 15 ILE QG 4.000 . 4.750 3.095 2.203 4.063 . 0 0 "[ . 1 . 2]" 1
51 1 15 ILE HA 1 15 ILE HB 3.000 . 3.500 2.773 2.458 3.021 . 0 0 "[ . 1 . 2]" 1
52 1 15 ILE HB 1 15 ILE MD 3.000 . 3.500 2.362 2.068 3.224 . 0 0 "[ . 1 . 2]" 1
53 1 16 THR H 1 16 THR HB 4.000 . 4.750 3.600 3.545 3.668 . 0 0 "[ . 1 . 2]" 1
54 1 16 THR H 1 16 THR MG 4.000 . 4.750 2.484 2.093 2.974 . 0 0 "[ . 1 . 2]" 1
55 1 17 LYS H 1 17 LYS HA 3.000 . 3.500 2.805 2.792 2.816 . 0 0 "[ . 1 . 2]" 1
56 1 17 LYS H 1 17 LYS QB 3.000 . 3.500 2.250 2.042 2.666 . 0 0 "[ . 1 . 2]" 1
57 1 17 LYS H 1 17 LYS QG 4.000 . 4.750 2.911 1.940 4.029 . 0 0 "[ . 1 . 2]" 1
58 1 17 LYS H 1 17 LYS QD 5.000 . 6.000 4.015 2.631 4.604 . 0 0 "[ . 1 . 2]" 1
59 1 17 LYS HA 1 17 LYS QG 3.000 . 3.500 2.438 2.025 3.351 . 0 0 "[ . 1 . 2]" 1
60 1 17 LYS HA 1 17 LYS QD 4.000 . 4.750 3.455 2.145 4.323 . 0 0 "[ . 1 . 2]" 1
61 1 17 LYS QB 1 17 LYS QD 3.000 . 3.500 2.090 1.957 2.271 . 0 0 "[ . 1 . 2]" 1
62 1 17 LYS QE 1 17 LYS QG 3.000 . 3.500 2.125 1.944 2.355 . 0 0 "[ . 1 . 2]" 1
63 1 18 GLU H 1 18 GLU HA 3.000 . 3.500 2.799 2.789 2.825 . 0 0 "[ . 1 . 2]" 1
64 1 18 GLU H 1 18 GLU QB 3.000 . 3.500 2.212 2.041 2.587 . 0 0 "[ . 1 . 2]" 1
65 1 18 GLU H 1 18 GLU QG 4.000 . 4.750 3.284 1.976 4.046 . 0 0 "[ . 1 . 2]" 1
66 1 18 GLU HA 1 18 GLU QG 3.000 . 3.500 2.376 2.067 3.336 . 0 0 "[ . 1 . 2]" 1
67 1 19 ASP H 1 19 ASP HA 3.000 . 3.500 2.852 2.834 2.856 . 0 0 "[ . 1 . 2]" 1
68 1 19 ASP H 1 19 ASP HB3 4.000 . 4.750 3.486 3.429 3.555 . 0 0 "[ . 1 . 2]" 1
69 1 19 ASP H 1 19 ASP HB2 3.000 . 3.500 2.184 2.129 2.291 . 0 0 "[ . 1 . 2]" 1
70 1 19 ASP HA 1 19 ASP HB3 3.000 . 3.500 2.674 2.586 2.730 . 0 0 "[ . 1 . 2]" 1
71 1 20 LEU H 1 20 LEU HA 3.000 . 3.500 2.829 2.794 2.852 . 0 0 "[ . 1 . 2]" 1
72 1 20 LEU H 1 20 LEU HB3 4.000 . 4.750 3.576 3.546 3.595 . 0 0 "[ . 1 . 2]" 1
73 1 20 LEU H 1 20 LEU HB2 3.000 . 3.500 2.399 2.282 2.533 . 0 0 "[ . 1 . 2]" 1
74 1 20 LEU H 1 20 LEU HG 2.500 . 2.800 2.504 2.271 2.741 . 0 0 "[ . 1 . 2]" 1
75 1 20 LEU H 1 20 LEU MD1 4.000 . 4.750 3.818 3.636 3.901 . 0 0 "[ . 1 . 2]" 1
76 1 20 LEU H 1 20 LEU MD2 4.000 . 4.750 3.286 2.892 3.737 . 0 0 "[ . 1 . 2]" 1
77 1 20 LEU HA 1 20 LEU HB3 2.500 . 2.800 2.526 2.453 2.588 . 0 0 "[ . 1 . 2]" 1
78 1 20 LEU HA 1 20 LEU HG 3.000 . 3.500 3.139 2.875 3.333 . 0 0 "[ . 1 . 2]" 1
79 1 20 LEU HA 1 20 LEU MD1 4.000 . 4.750 3.777 3.704 3.855 . 0 0 "[ . 1 . 2]" 1
80 1 20 LEU HA 1 20 LEU MD2 3.000 . 3.500 1.934 1.837 1.998 . 0 0 "[ . 1 . 2]" 1
81 1 20 LEU HB3 1 20 LEU HG 3.000 . 3.500 3.013 3.001 3.020 . 0 0 "[ . 1 . 2]" 1
82 1 20 LEU HB3 1 20 LEU MD1 3.000 . 3.500 2.217 2.087 2.342 . 0 0 "[ . 1 . 2]" 1
83 1 20 LEU HB3 1 20 LEU MD2 3.000 . 3.500 2.438 2.358 2.537 . 0 0 "[ . 1 . 2]" 1
84 1 20 LEU HB2 1 20 LEU MD1 3.000 . 3.500 2.439 2.331 2.556 . 0 0 "[ . 1 . 2]" 1
85 1 21 ILE H 1 21 ILE HA 3.000 . 3.500 2.777 2.768 2.792 . 0 0 "[ . 1 . 2]" 1
86 1 21 ILE H 1 21 ILE HB 2.500 . 2.800 2.272 2.167 2.435 . 0 0 "[ . 1 . 2]" 1
87 1 21 ILE H 1 21 ILE MG 4.000 . 4.750 3.260 2.847 3.752 . 0 0 "[ . 1 . 2]" 1
88 1 21 ILE H 1 21 ILE MD 5.000 . 6.000 3.521 3.232 4.198 . 0 0 "[ . 1 . 2]" 1
89 1 21 ILE H 1 21 ILE QG 4.000 . 4.750 3.249 2.327 4.039 . 0 0 "[ . 1 . 2]" 1
90 1 21 ILE HA 1 21 ILE HB 3.000 . 3.500 2.830 2.674 3.017 . 0 0 "[ . 1 . 2]" 1
91 1 21 ILE HA 1 21 ILE QG 3.000 . 3.500 2.353 1.976 2.737 . 0 0 "[ . 1 . 2]" 1
92 1 21 ILE HB 1 21 ILE MD 3.000 . 3.500 2.378 2.053 3.222 . 0 0 "[ . 1 . 2]" 1
93 1 21 ILE MD 1 21 ILE MG 3.000 . 3.500 2.588 1.838 3.253 . 0 0 "[ . 1 . 2]" 1
94 1 21 ILE QG 1 21 ILE MG 3.000 . 3.500 2.175 2.096 2.335 . 0 0 "[ . 1 . 2]" 1
95 1 22 GLN H 1 22 GLN HA 3.000 . 3.500 2.834 2.819 2.843 . 0 0 "[ . 1 . 2]" 1
96 1 22 GLN H 1 22 GLN QB 3.000 . 3.500 2.125 2.054 2.308 . 0 0 "[ . 1 . 2]" 1
97 1 22 GLN H 1 22 GLN QG 4.000 . 4.750 3.483 2.586 4.016 . 0 0 "[ . 1 . 2]" 1
98 1 22 GLN HA 1 22 GLN QG 3.000 . 3.500 2.196 2.043 2.536 . 0 0 "[ . 1 . 2]" 1
99 1 23 LYS H 1 23 LYS HA 3.000 . 3.500 2.839 2.822 2.845 . 0 0 "[ . 1 . 2]" 1
100 1 23 LYS H 1 23 LYS QB 3.000 . 3.500 2.613 2.327 2.733 . 0 0 "[ . 1 . 2]" 1
101 1 23 LYS H 1 23 LYS QG 3.000 . 3.500 2.016 1.903 2.647 . 0 0 "[ . 1 . 2]" 1
102 1 23 LYS HA 1 23 LYS QD 4.000 . 4.750 3.981 3.537 4.153 . 0 0 "[ . 1 . 2]" 1
103 1 23 LYS QB 1 23 LYS QD 3.000 . 3.500 2.094 1.980 2.134 . 0 0 "[ . 1 . 2]" 1
104 1 23 LYS QE 1 23 LYS QG 3.000 . 3.500 2.146 1.956 2.453 . 0 0 "[ . 1 . 2]" 1
105 1 24 SER H 1 24 SER HA 3.000 . 3.500 2.846 2.836 2.860 . 0 0 "[ . 1 . 2]" 1
106 1 24 SER H 1 24 SER HG 3.000 . 3.500 2.784 2.390 3.500 0.000 2 0 "[ . 1 . 2]" 1
107 1 24 SER H 1 24 SER QB 3.000 . 3.500 2.369 2.255 2.593 . 0 0 "[ . 1 . 2]" 1
108 1 24 SER HA 1 24 SER HG 4.000 . 4.750 3.581 3.512 4.060 . 0 0 "[ . 1 . 2]" 1
109 1 24 SER HA 1 24 SER QB 2.500 . 2.800 2.180 2.171 2.189 . 0 0 "[ . 1 . 2]" 1
110 1 25 LEU H 1 25 LEU HA 3.000 . 3.500 2.809 2.807 2.812 . 0 0 "[ . 1 . 2]" 1
111 1 25 LEU H 1 25 LEU HB3 4.000 . 4.750 3.540 3.508 3.563 . 0 0 "[ . 1 . 2]" 1
112 1 25 LEU H 1 25 LEU HB2 3.000 . 3.500 2.276 2.209 2.339 . 0 0 "[ . 1 . 2]" 1
113 1 25 LEU H 1 25 LEU HG 3.000 . 3.500 2.721 2.553 2.987 . 0 0 "[ . 1 . 2]" 1
114 1 25 LEU H 1 25 LEU MD1 4.000 . 4.750 3.562 3.265 3.812 . 0 0 "[ . 1 . 2]" 1
115 1 25 LEU H 1 25 LEU MD2 5.000 . 6.000 3.836 3.589 4.150 . 0 0 "[ . 1 . 2]" 1
116 1 25 LEU HA 1 25 LEU HG 3.000 . 3.500 2.739 2.451 2.946 . 0 0 "[ . 1 . 2]" 1
117 1 25 LEU HA 1 25 LEU MD1 4.000 . 4.750 3.820 3.769 3.852 . 0 0 "[ . 1 . 2]" 1
118 1 25 LEU HA 1 25 LEU MD2 3.000 . 3.500 2.193 1.965 2.566 . 0 0 "[ . 1 . 2]" 1
119 1 25 LEU HB3 1 25 LEU HG 3.000 . 3.500 3.009 2.976 3.019 . 0 0 "[ . 1 . 2]" 1
120 1 25 LEU HB3 1 25 LEU MD1 3.000 . 3.500 2.496 2.284 2.698 . 0 0 "[ . 1 . 2]" 1
121 1 25 LEU HB3 1 25 LEU MD2 3.000 . 3.500 2.231 2.029 2.353 . 0 0 "[ . 1 . 2]" 1
122 1 25 LEU HB2 1 25 LEU HG 3.000 . 3.500 2.537 2.431 2.661 . 0 0 "[ . 1 . 2]" 1
123 1 25 LEU HB2 1 25 LEU MD1 3.000 . 3.500 2.192 2.021 2.376 . 0 0 "[ . 1 . 2]" 1
124 1 27 THR H 1 27 THR HA 3.000 . 3.500 2.919 2.917 2.920 . 0 0 "[ . 1 . 2]" 1
125 1 27 THR H 1 27 THR MG 4.000 . 4.750 3.206 2.752 4.012 . 0 0 "[ . 1 . 2]" 1
126 1 28 CYS H 1 28 CYS HB3 3.000 . 3.500 2.599 2.501 2.714 . 0 0 "[ . 1 . 2]" 1
127 1 28 CYS H 1 28 CYS HB2 3.000 . 3.500 2.620 2.524 2.739 . 0 0 "[ . 1 . 2]" 1
128 1 29 GLN H 1 29 GLN HA 3.000 . 3.500 2.869 2.861 2.870 . 0 0 "[ . 1 . 2]" 1
129 1 29 GLN H 1 29 GLN QB 3.000 . 3.500 2.137 2.094 2.176 . 0 0 "[ . 1 . 2]" 1
130 1 29 GLN H 1 29 GLN QG 4.000 . 4.750 3.690 2.949 3.986 . 0 0 "[ . 1 . 2]" 1
131 1 29 GLN HA 1 29 GLN QG 3.000 . 3.500 2.105 2.010 2.279 . 0 0 "[ . 1 . 2]" 1
132 1 29 GLN QB 1 29 GLN HE22 4.000 . 4.750 4.013 3.913 4.139 . 0 0 "[ . 1 . 2]" 1
133 1 29 GLN HE22 1 29 GLN QG 3.000 . 3.500 3.225 3.216 3.239 . 0 0 "[ . 1 . 2]" 1
134 1 31 CYS H 1 31 CYS HB3 4.000 . 4.750 3.065 2.960 3.182 . 0 0 "[ . 1 . 2]" 1
135 1 31 CYS H 1 31 CYS HB2 4.000 . 4.750 3.774 3.726 3.815 . 0 0 "[ . 1 . 2]" 1
136 1 31 CYS HA 1 31 CYS HB2 3.000 . 3.500 2.450 2.419 2.521 . 0 0 "[ . 1 . 2]" 1
137 1 32 LYS H 1 32 LYS HA 3.000 . 3.500 2.938 2.925 2.948 . 0 0 "[ . 1 . 2]" 1
138 1 32 LYS H 1 32 LYS QB 3.000 . 3.500 2.604 2.205 3.055 . 0 0 "[ . 1 . 2]" 1
139 1 32 LYS H 1 32 LYS QG 4.000 . 4.750 3.021 1.922 4.105 . 0 0 "[ . 1 . 2]" 1
140 1 32 LYS HA 1 32 LYS QG 3.000 . 3.500 2.659 2.019 3.417 . 0 0 "[ . 1 . 2]" 1
141 1 32 LYS HA 1 32 LYS QD 4.000 . 4.750 3.838 2.804 4.342 . 0 0 "[ . 1 . 2]" 1
142 1 33 VAL H 1 33 VAL HB 4.000 . 4.750 3.388 2.491 3.906 . 0 0 "[ . 1 . 2]" 1
143 1 33 VAL H 1 33 VAL MG2 4.000 . 4.750 2.648 1.932 4.004 . 0 0 "[ . 1 . 2]" 1
144 1 34 GLN H 1 34 GLN HA 3.000 . 3.500 2.718 2.272 2.947 . 0 0 "[ . 1 . 2]" 1
145 1 34 GLN H 1 34 GLN QG 3.000 . 3.500 2.855 1.915 3.501 0.001 19 0 "[ . 1 . 2]" 1
146 1 37 ASN H 1 37 ASN HD21 5.000 . 6.000 3.302 2.012 4.527 . 0 0 "[ . 1 . 2]" 1
147 1 37 ASN H 1 37 ASN HD22 4.000 . 4.750 4.183 3.014 4.619 . 0 0 "[ . 1 . 2]" 1
148 1 37 ASN QB 1 37 ASN HD21 3.000 . 3.500 2.315 2.089 2.636 . 0 0 "[ . 1 . 2]" 1
149 1 38 LEU H 1 38 LEU HB3 4.000 . 4.750 3.582 3.390 3.778 . 0 0 "[ . 1 . 2]" 1
150 1 38 LEU H 1 38 LEU HB2 4.000 . 4.750 2.599 2.254 2.856 . 0 0 "[ . 1 . 2]" 1
151 1 38 LEU H 1 38 LEU HG 4.000 . 4.750 3.930 3.644 4.160 . 0 0 "[ . 1 . 2]" 1
152 1 38 LEU H 1 38 LEU MD1 5.000 . 6.000 4.457 4.095 4.672 . 0 0 "[ . 1 . 2]" 1
153 1 38 LEU H 1 38 LEU MD2 5.000 . 6.000 4.264 4.135 4.413 . 0 0 "[ . 1 . 2]" 1
154 1 38 LEU HA 1 38 LEU HG 4.000 . 4.750 2.708 2.532 2.891 . 0 0 "[ . 1 . 2]" 1
155 1 38 LEU HA 1 38 LEU MD1 4.000 . 4.750 3.769 3.753 3.781 . 0 0 "[ . 1 . 2]" 1
156 1 38 LEU HA 1 38 LEU MD2 4.000 . 4.750 2.019 1.931 2.248 . 0 0 "[ . 1 . 2]" 1
157 1 38 LEU HB3 1 38 LEU HG 3.000 . 3.500 3.018 3.014 3.020 . 0 0 "[ . 1 . 2]" 1
158 1 38 LEU HB3 1 38 LEU MD1 3.000 . 3.500 2.382 2.225 2.460 . 0 0 "[ . 1 . 2]" 1
159 1 38 LEU HB3 1 38 LEU MD2 3.000 . 3.500 2.334 2.198 2.419 . 0 0 "[ . 1 . 2]" 1
160 1 38 LEU HB2 1 38 LEU HG 2.500 . 2.800 2.454 2.414 2.518 . 0 0 "[ . 1 . 2]" 1
161 1 38 LEU HB2 1 38 LEU MD1 3.000 . 3.500 2.282 2.201 2.427 . 0 0 "[ . 1 . 2]" 1
162 1 39 TRP H 1 39 TRP HB3 4.000 . 4.750 3.729 3.689 3.793 . 0 0 "[ . 1 . 2]" 1
163 1 39 TRP H 1 39 TRP HB2 3.000 . 3.500 2.576 2.511 2.669 . 0 0 "[ . 1 . 2]" 1
164 1 39 TRP H 1 39 TRP HD1 3.000 . 3.500 2.429 2.235 2.757 . 0 0 "[ . 1 . 2]" 1
165 1 39 TRP H 1 39 TRP HE3 5.000 . 6.000 5.787 5.701 5.885 . 0 0 "[ . 1 . 2]" 1
166 1 39 TRP HA 1 39 TRP HD1 5.000 . 6.000 3.645 3.438 3.834 . 0 0 "[ . 1 . 2]" 1
167 1 39 TRP HA 1 39 TRP HE3 4.000 . 4.750 3.982 3.639 4.256 . 0 0 "[ . 1 . 2]" 1
168 1 39 TRP HB3 1 39 TRP HE3 3.000 . 3.500 2.407 2.394 2.440 . 0 0 "[ . 1 . 2]" 1
169 1 39 TRP HB2 1 39 TRP HE3 4.000 . 4.750 3.850 3.723 3.986 . 0 0 "[ . 1 . 2]" 1
170 1 41 CYS H 1 41 CYS HA 3.000 . 3.500 2.787 2.777 2.807 . 0 0 "[ . 1 . 2]" 1
171 1 41 CYS H 1 41 CYS HB3 3.000 . 3.500 2.689 2.615 2.734 . 0 0 "[ . 1 . 2]" 1
172 1 41 CYS H 1 41 CYS HB2 3.000 . 3.500 2.386 2.356 2.451 . 0 0 "[ . 1 . 2]" 1
173 1 42 LEU H 1 42 LEU HA 3.000 . 3.500 2.894 2.872 2.923 . 0 0 "[ . 1 . 2]" 1
174 1 42 LEU H 1 42 LEU HB3 3.000 . 3.500 2.640 2.531 2.799 . 0 0 "[ . 1 . 2]" 1
175 1 42 LEU H 1 42 LEU HB2 3.000 . 3.500 2.499 2.315 2.603 . 0 0 "[ . 1 . 2]" 1
176 1 42 LEU H 1 42 LEU HG 5.000 . 6.000 4.513 4.473 4.566 . 0 0 "[ . 1 . 2]" 1
177 1 42 LEU HA 1 42 LEU HB2 3.000 . 3.500 2.544 2.485 2.628 . 0 0 "[ . 1 . 2]" 1
178 1 42 LEU HA 1 42 LEU HG 4.000 . 4.750 2.777 2.575 3.100 . 0 0 "[ . 1 . 2]" 1
179 1 42 LEU HA 1 42 LEU QD 4.000 . 4.750 2.230 1.956 2.525 . 0 0 "[ . 1 . 2]" 1
180 1 42 LEU HB3 1 42 LEU HG 3.000 . 3.500 2.575 2.439 2.668 . 0 0 "[ . 1 . 2]" 1
181 1 42 LEU HB3 1 42 LEU QD 3.000 . 3.500 2.141 1.955 2.348 . 0 0 "[ . 1 . 2]" 1
182 1 42 LEU HB2 1 42 LEU HG 3.000 . 3.500 3.002 2.976 3.022 . 0 0 "[ . 1 . 2]" 1
183 1 42 LEU HB2 1 42 LEU QD 3.000 . 3.500 2.069 1.983 2.131 . 0 0 "[ . 1 . 2]" 1
184 1 43 GLU H 1 43 GLU HA 3.000 . 3.500 2.771 2.765 2.783 . 0 0 "[ . 1 . 2]" 1
185 1 43 GLU H 1 43 GLU QB 3.000 . 3.500 2.123 2.047 2.245 . 0 0 "[ . 1 . 2]" 1
186 1 43 GLU H 1 43 GLU QG 4.000 . 4.750 3.847 3.528 4.054 . 0 0 "[ . 1 . 2]" 1
187 1 43 GLU HA 1 43 GLU QG 3.000 . 3.500 2.345 2.028 2.914 . 0 0 "[ . 1 . 2]" 1
188 1 44 ASN H 1 44 ASN HA 3.000 . 3.500 2.804 2.756 2.843 . 0 0 "[ . 1 . 2]" 1
189 1 44 ASN H 1 44 ASN HB3 2.500 . 2.800 2.582 2.533 2.650 . 0 0 "[ . 1 . 2]" 1
190 1 44 ASN H 1 44 ASN HB2 2.500 . 2.800 2.493 2.424 2.559 . 0 0 "[ . 1 . 2]" 1
191 1 44 ASN H 1 44 ASN HD21 5.000 . 6.000 4.696 4.690 4.707 . 0 0 "[ . 1 . 2]" 1
192 1 44 ASN H 1 44 ASN HD22 5.000 . 6.000 5.797 5.787 5.809 . 0 0 "[ . 1 . 2]" 1
193 1 44 ASN HA 1 44 ASN HB3 3.000 . 3.500 3.025 3.022 3.026 . 0 0 "[ . 1 . 2]" 1
194 1 44 ASN HA 1 44 ASN HB2 3.000 . 3.500 2.479 2.466 2.507 . 0 0 "[ . 1 . 2]" 1
195 1 44 ASN HA 1 44 ASN HD22 4.000 . 4.750 4.635 4.601 4.648 . 0 0 "[ . 1 . 2]" 1
196 1 44 ASN HB3 1 44 ASN HD22 3.000 . 3.500 3.567 3.564 3.568 0.068 17 0 "[ . 1 . 2]" 1
197 1 44 ASN HB2 1 44 ASN HD22 3.000 . 3.500 3.569 3.567 3.572 0.072 9 0 "[ . 1 . 2]" 1
198 1 45 ARG H 1 45 ARG QB 3.000 . 3.500 2.249 2.074 2.547 . 0 0 "[ . 1 . 2]" 1
199 1 45 ARG H 1 45 ARG QG 4.000 . 4.750 3.341 2.224 4.076 . 0 0 "[ . 1 . 2]" 1
200 1 45 ARG H 1 45 ARG QD 4.000 . 4.750 4.090 2.254 4.586 . 0 0 "[ . 1 . 2]" 1
201 1 45 ARG HA 1 45 ARG HE 5.000 . 6.000 4.611 2.017 5.633 . 0 0 "[ . 1 . 2]" 1
202 1 45 ARG HA 1 45 ARG QG 3.000 . 3.500 2.347 2.078 2.679 . 0 0 "[ . 1 . 2]" 1
203 1 45 ARG HA 1 45 ARG QD 4.000 . 4.750 3.206 2.154 4.095 . 0 0 "[ . 1 . 2]" 1
204 1 45 ARG QB 1 45 ARG HE 4.000 . 4.750 3.625 2.123 4.359 . 0 0 "[ . 1 . 2]" 1
205 1 45 ARG QB 1 45 ARG QD 3.000 . 3.500 2.102 1.949 2.331 . 0 0 "[ . 1 . 2]" 1
206 1 46 CYS H 1 46 CYS HB3 3.000 . 3.500 2.866 2.806 2.905 . 0 0 "[ . 1 . 2]" 1
207 1 46 CYS H 1 46 CYS HB2 3.000 . 3.500 2.532 2.449 2.681 . 0 0 "[ . 1 . 2]" 1
208 1 46 CYS HA 1 46 CYS HB2 3.000 . 3.500 2.653 2.631 2.680 . 0 0 "[ . 1 . 2]" 1
209 1 47 SER H 1 47 SER HA 3.000 . 3.500 2.931 2.903 2.947 . 0 0 "[ . 1 . 2]" 1
210 1 47 SER H 1 47 SER QB 3.000 . 3.500 2.762 2.456 3.266 . 0 0 "[ . 1 . 2]" 1
211 1 48 TYR H 1 48 TYR HA 3.000 . 3.500 2.924 2.874 2.948 . 0 0 "[ . 1 . 2]" 1
212 1 48 TYR H 1 48 TYR QB 3.000 . 3.500 2.267 2.101 2.502 . 0 0 "[ . 1 . 2]" 1
213 1 49 VAL H 1 49 VAL HB 3.000 . 3.500 2.728 2.676 2.812 . 0 0 "[ . 1 . 2]" 1
214 1 51 CYS H 1 51 CYS HB3 4.000 . 4.750 3.096 2.974 3.165 . 0 0 "[ . 1 . 2]" 1
215 1 51 CYS H 1 51 CYS HB2 4.000 . 4.750 3.647 3.629 3.672 . 0 0 "[ . 1 . 2]" 1
216 1 51 CYS HA 1 51 CYS HB3 3.000 . 3.500 2.365 2.347 2.412 . 0 0 "[ . 1 . 2]" 1
217 1 51 CYS HA 1 51 CYS HB2 3.000 . 3.500 2.549 2.492 2.572 . 0 0 "[ . 1 . 2]" 1
218 1 53 GLU H 1 53 GLU QB 3.000 . 3.500 2.287 2.032 2.626 . 0 0 "[ . 1 . 2]" 1
219 1 53 GLU H 1 53 GLU QG 3.000 . 3.500 2.884 1.966 3.508 0.008 11 0 "[ . 1 . 2]" 1
220 1 53 GLU HA 1 53 GLU QG 3.000 . 3.500 2.577 2.009 3.401 . 0 0 "[ . 1 . 2]" 1
221 1 54 SER H 1 54 SER QB 3.000 . 3.500 2.229 2.053 2.605 . 0 0 "[ . 1 . 2]" 1
222 1 55 GLN H 1 55 GLN HB3 4.000 . 4.750 3.715 3.506 3.805 . 0 0 "[ . 1 . 2]" 1
223 1 55 GLN H 1 55 GLN HB2 3.000 . 3.500 2.615 2.450 2.794 . 0 0 "[ . 1 . 2]" 1
224 1 55 GLN H 1 55 GLN QG 4.000 . 4.750 3.060 2.493 3.701 . 0 0 "[ . 1 . 2]" 1
225 1 55 GLN HB3 1 55 GLN HE21 4.000 . 4.750 2.233 1.953 2.665 . 0 0 "[ . 1 . 2]" 1
226 1 55 GLN HB3 1 55 GLN HE22 3.000 . 3.500 3.411 3.273 3.516 0.016 15 0 "[ . 1 . 2]" 1
227 1 55 GLN HB2 1 55 GLN HE22 5.000 . 6.000 4.787 4.679 4.869 . 0 0 "[ . 1 . 2]" 1
228 1 56 VAL H 1 56 VAL HB 3.000 . 3.500 2.955 2.845 3.005 . 0 0 "[ . 1 . 2]" 1
229 1 56 VAL H 1 56 VAL QG 4.000 . 4.750 2.705 2.553 2.820 . 0 0 "[ . 1 . 2]" 1
230 1 56 VAL HA 1 56 VAL HB 3.000 . 3.500 3.014 3.011 3.016 . 0 0 "[ . 1 . 2]" 1
231 1 56 VAL HA 1 56 VAL QG 3.000 . 3.500 2.070 2.039 2.104 . 0 0 "[ . 1 . 2]" 1
232 1 57 ASP H 1 57 ASP HA 3.000 . 3.500 2.284 2.279 2.289 . 0 0 "[ . 1 . 2]" 1
233 1 58 HIS H 1 58 HIS HB3 4.000 . 4.750 3.460 3.423 3.491 . 0 0 "[ . 1 . 2]" 1
234 1 58 HIS H 1 58 HIS HB2 3.000 . 3.500 2.143 2.106 2.177 . 0 0 "[ . 1 . 2]" 1
235 1 58 HIS H 1 58 HIS HD2 5.000 . 6.000 4.306 4.025 4.596 . 0 0 "[ . 1 . 2]" 1
236 1 58 HIS HA 1 58 HIS HB2 3.000 . 3.500 2.942 2.918 2.961 . 0 0 "[ . 1 . 2]" 1
237 1 58 HIS HA 1 58 HIS HD2 3.000 . 3.500 2.115 1.988 2.272 . 0 0 "[ . 1 . 2]" 1
238 1 58 HIS HB3 1 58 HIS HD2 4.000 . 4.750 3.400 3.282 3.535 . 0 0 "[ . 1 . 2]" 1
239 1 58 HIS HB2 1 58 HIS HD2 4.000 . 4.750 3.881 3.810 3.928 . 0 0 "[ . 1 . 2]" 1
240 1 59 SER H 1 59 SER QB 3.000 . 3.500 2.289 2.066 2.763 . 0 0 "[ . 1 . 2]" 1
241 1 60 THR H 1 60 THR HA 3.000 . 3.500 2.849 2.844 2.854 . 0 0 "[ . 1 . 2]" 1
242 1 60 THR H 1 60 THR HB 3.000 . 3.500 2.575 2.438 2.987 . 0 0 "[ . 1 . 2]" 1
243 1 60 THR H 1 60 THR MG 4.000 . 4.750 3.742 3.619 3.758 . 0 0 "[ . 1 . 2]" 1
244 1 60 THR HA 1 60 THR HB 3.000 . 3.500 3.017 2.956 3.027 . 0 0 "[ . 1 . 2]" 1
245 1 60 THR HA 1 60 THR MG 3.000 . 3.500 2.321 2.053 2.437 . 0 0 "[ . 1 . 2]" 1
246 1 61 ILE H 1 61 ILE HA 3.000 . 3.500 2.795 2.784 2.804 . 0 0 "[ . 1 . 2]" 1
247 1 61 ILE H 1 61 ILE HB 3.000 . 3.500 2.845 2.831 2.871 . 0 0 "[ . 1 . 2]" 1
248 1 61 ILE H 1 61 ILE MG 4.000 . 4.750 3.744 3.737 3.752 . 0 0 "[ . 1 . 2]" 1
249 1 61 ILE H 1 61 ILE MD 5.000 . 6.000 3.589 3.580 3.595 . 0 0 "[ . 1 . 2]" 1
250 1 61 ILE H 1 61 ILE QG 3.000 . 3.500 1.846 1.833 1.852 . 0 0 "[ . 1 . 2]" 1
251 1 61 ILE HA 1 61 ILE MG 3.000 . 3.500 2.259 2.165 2.303 . 0 0 "[ . 1 . 2]" 1
252 1 61 ILE HA 1 61 ILE QG 3.000 . 3.500 2.571 2.565 2.582 . 0 0 "[ . 1 . 2]" 1
253 1 61 ILE HB 1 61 ILE MD 3.000 . 3.500 2.506 2.476 2.558 . 0 0 "[ . 1 . 2]" 1
254 1 61 ILE MD 1 61 ILE MG 3.000 . 3.500 1.932 1.802 2.026 . 0 0 "[ . 1 . 2]" 1
255 1 62 HIS H 1 62 HIS HA 3.000 . 3.500 2.801 2.792 2.809 . 0 0 "[ . 1 . 2]" 1
256 1 62 HIS H 1 62 HIS HB3 3.000 . 3.500 2.413 2.365 2.461 . 0 0 "[ . 1 . 2]" 1
257 1 62 HIS H 1 62 HIS HB2 3.000 . 3.500 2.665 2.627 2.716 . 0 0 "[ . 1 . 2]" 1
258 1 62 HIS H 1 62 HIS HD1 5.000 . 6.000 5.104 5.052 5.140 . 0 0 "[ . 1 . 2]" 1
259 1 62 HIS H 1 62 HIS HD2 5.000 . 6.000 4.865 4.806 4.940 . 0 0 "[ . 1 . 2]" 1
260 1 62 HIS HA 1 62 HIS HB2 3.000 . 3.500 2.399 2.379 2.413 . 0 0 "[ . 1 . 2]" 1
261 1 62 HIS HA 1 62 HIS HD1 4.000 . 4.750 3.629 3.437 3.706 . 0 0 "[ . 1 . 2]" 1
262 1 62 HIS HA 1 62 HIS HE1 5.000 . 6.000 5.395 5.294 5.438 . 0 0 "[ . 1 . 2]" 1
263 1 62 HIS HB3 1 62 HIS HD2 3.000 . 3.500 2.945 2.862 2.984 . 0 0 "[ . 1 . 2]" 1
264 1 62 HIS HB2 1 62 HIS HD2 4.000 . 4.750 3.946 3.925 3.953 . 0 0 "[ . 1 . 2]" 1
265 1 62 HIS HB2 1 62 HIS HE1 5.000 . 6.000 4.747 4.743 4.760 . 0 0 "[ . 1 . 2]" 1
266 1 63 SER H 1 63 SER HA 3.000 . 3.500 2.793 2.789 2.802 . 0 0 "[ . 1 . 2]" 1
267 1 63 SER H 1 63 SER HG 4.000 . 4.750 4.277 4.166 4.466 . 0 0 "[ . 1 . 2]" 1
268 1 63 SER H 1 63 SER QB 3.000 . 3.500 2.201 2.161 2.239 . 0 0 "[ . 1 . 2]" 1
269 1 63 SER HA 1 63 SER HG 3.000 . 3.500 2.880 2.589 3.516 0.016 15 0 "[ . 1 . 2]" 1
270 1 64 GLN H 1 64 GLN HA 3.000 . 3.500 2.848 2.839 2.850 . 0 0 "[ . 1 . 2]" 1
271 1 64 GLN H 1 64 GLN QB 3.000 . 3.500 2.241 2.133 2.270 . 0 0 "[ . 1 . 2]" 1
272 1 64 GLN H 1 64 GLN QG 4.000 . 4.750 3.445 3.393 3.648 . 0 0 "[ . 1 . 2]" 1
273 1 64 GLN HA 1 64 GLN QG 3.000 . 3.500 2.332 2.288 2.557 . 0 0 "[ . 1 . 2]" 1
274 1 64 GLN QB 1 64 GLN HE22 4.000 . 4.750 3.892 3.561 3.940 . 0 0 "[ . 1 . 2]" 1
275 1 65 GLU H 1 65 GLU HA 3.000 . 3.500 2.744 2.737 2.772 . 0 0 "[ . 1 . 2]" 1
276 1 65 GLU H 1 65 GLU QB 3.000 . 3.500 2.266 2.036 2.513 . 0 0 "[ . 1 . 2]" 1
277 1 65 GLU H 1 65 GLU QG 3.000 . 3.500 2.678 2.047 3.466 . 0 0 "[ . 1 . 2]" 1
278 1 65 GLU HA 1 65 GLU QG 3.000 . 3.500 2.315 1.997 3.339 . 0 0 "[ . 1 . 2]" 1
279 1 66 THR H 1 66 THR HA 3.000 . 3.500 2.939 2.926 2.944 . 0 0 "[ . 1 . 2]" 1
280 1 66 THR H 1 66 THR HB 4.000 . 4.750 3.674 3.650 3.693 . 0 0 "[ . 1 . 2]" 1
281 1 66 THR H 1 66 THR HG1 3.000 . 3.500 2.580 2.531 2.747 . 0 0 "[ . 1 . 2]" 1
282 1 66 THR H 1 66 THR MG 3.000 . 3.500 2.773 2.664 2.874 . 0 0 "[ . 1 . 2]" 1
283 1 66 THR HA 1 66 THR HB 3.000 . 3.500 2.503 2.493 2.513 . 0 0 "[ . 1 . 2]" 1
284 1 66 THR HA 1 66 THR HG1 4.000 . 4.750 3.522 3.502 3.571 . 0 0 "[ . 1 . 2]" 1
285 1 66 THR HA 1 66 THR MG 3.000 . 3.500 2.352 2.246 2.416 . 0 0 "[ . 1 . 2]" 1
286 1 66 THR HG1 1 66 THR MG 3.000 . 3.500 2.998 2.983 3.012 . 0 0 "[ . 1 . 2]" 1
287 1 67 LYS H 1 67 LYS HA 3.000 . 3.500 2.273 2.265 2.277 . 0 0 "[ . 1 . 2]" 1
288 1 67 LYS H 1 67 LYS QG 4.000 . 4.750 3.008 2.609 3.828 . 0 0 "[ . 1 . 2]" 1
289 1 67 LYS H 1 67 LYS QD 5.000 . 6.000 4.578 3.579 5.209 . 0 0 "[ . 1 . 2]" 1
290 1 67 LYS QB 1 67 LYS QD 3.000 . 3.500 2.066 1.916 2.508 . 0 0 "[ . 1 . 2]" 1
291 1 67 LYS QB 1 67 LYS QE 4.000 . 4.750 3.268 1.970 3.708 . 0 0 "[ . 1 . 2]" 1
292 1 67 LYS QE 1 67 LYS QG 3.000 . 3.500 2.187 1.950 2.595 . 0 0 "[ . 1 . 2]" 1
293 1 68 HIS H 1 68 HIS HB3 4.000 . 4.750 3.633 3.616 3.647 . 0 0 "[ . 1 . 2]" 1
294 1 68 HIS H 1 68 HIS HB2 3.000 . 3.500 2.470 2.431 2.504 . 0 0 "[ . 1 . 2]" 1
295 1 68 HIS H 1 68 HIS HD2 3.000 . 3.500 3.254 3.213 3.303 . 0 0 "[ . 1 . 2]" 1
296 1 68 HIS HA 1 68 HIS HB3 3.000 . 3.500 2.479 2.461 2.500 . 0 0 "[ . 1 . 2]" 1
297 1 68 HIS HA 1 68 HIS HD2 3.000 . 3.500 2.419 2.376 2.462 . 0 0 "[ . 1 . 2]" 1
298 1 68 HIS HB3 1 68 HIS HD2 4.000 . 4.750 3.584 3.560 3.614 . 0 0 "[ . 1 . 2]" 1
299 1 68 HIS HB2 1 68 HIS HD2 4.000 . 4.750 3.776 3.749 3.793 . 0 0 "[ . 1 . 2]" 1
300 1 69 TYR H 1 69 TYR HB3 4.000 . 4.750 3.646 3.624 3.661 . 0 0 "[ . 1 . 2]" 1
301 1 69 TYR H 1 69 TYR HB2 3.000 . 3.500 2.628 2.490 2.675 . 0 0 "[ . 1 . 2]" 1
302 1 69 TYR H 1 69 TYR QD 3.000 . 3.500 2.900 2.384 3.000 . 0 0 "[ . 1 . 2]" 1
303 1 69 TYR H 1 69 TYR QE 5.000 . 6.000 4.369 4.277 4.472 . 0 0 "[ . 1 . 2]" 1
304 1 69 TYR HA 1 69 TYR QD 3.000 . 3.500 2.540 2.449 2.872 . 0 0 "[ . 1 . 2]" 1
305 1 69 TYR HA 1 69 TYR QE 5.000 . 6.000 4.627 4.577 4.685 . 0 0 "[ . 1 . 2]" 1
306 1 69 TYR HB3 1 69 TYR QD 3.000 . 3.500 2.585 2.425 2.621 . 0 0 "[ . 1 . 2]" 1
307 1 69 TYR HB2 1 69 TYR QD 3.000 . 3.500 2.285 2.275 2.370 . 0 0 "[ . 1 . 2]" 1
308 1 70 LEU H 1 70 LEU HB3 4.000 . 4.750 3.711 3.577 3.779 . 0 0 "[ . 1 . 2]" 1
309 1 70 LEU H 1 70 LEU HB2 3.000 . 3.500 2.562 2.397 2.661 . 0 0 "[ . 1 . 2]" 1
310 1 70 LEU H 1 70 LEU HG 4.000 . 4.750 4.419 4.196 4.614 . 0 0 "[ . 1 . 2]" 1
311 1 70 LEU H 1 70 LEU MD1 5.000 . 6.000 3.933 3.804 4.219 . 0 0 "[ . 1 . 2]" 1
312 1 70 LEU H 1 70 LEU MD2 5.000 . 6.000 2.427 2.116 2.790 . 0 0 "[ . 1 . 2]" 1
313 1 70 LEU HA 1 70 LEU HB3 3.000 . 3.500 2.546 2.495 2.649 . 0 0 "[ . 1 . 2]" 1
314 1 70 LEU HA 1 70 LEU HG 4.000 . 4.750 3.705 3.638 3.744 . 0 0 "[ . 1 . 2]" 1
315 1 70 LEU HA 1 70 LEU MD1 4.000 . 4.750 1.949 1.890 2.015 . 0 0 "[ . 1 . 2]" 1
316 1 70 LEU HA 1 70 LEU MD2 4.000 . 4.750 2.821 2.432 2.990 . 0 0 "[ . 1 . 2]" 1
317 1 70 LEU HB3 1 70 LEU HG 2.500 . 2.800 2.422 2.376 2.473 . 0 0 "[ . 1 . 2]" 1
318 1 70 LEU HB3 1 70 LEU MD1 3.000 . 3.500 2.377 2.349 2.423 . 0 0 "[ . 1 . 2]" 1
319 1 70 LEU HB2 1 70 LEU HG 2.500 . 2.800 2.451 2.402 2.497 . 0 0 "[ . 1 . 2]" 1
320 1 70 LEU HB2 1 70 LEU MD2 3.000 . 3.500 2.263 2.178 2.357 . 0 0 "[ . 1 . 2]" 1
321 1 71 THR H 1 71 THR HB 4.000 . 4.750 3.265 3.161 3.325 . 0 0 "[ . 1 . 2]" 1
322 1 71 THR H 1 71 THR MG 4.000 . 4.750 2.262 2.039 2.438 . 0 0 "[ . 1 . 2]" 1
323 1 72 VAL H 1 72 VAL HB 4.000 . 4.750 3.056 3.026 3.071 . 0 0 "[ . 1 . 2]" 1
324 1 72 VAL H 1 72 VAL MG1 3.000 . 3.500 2.034 1.979 2.087 . 0 0 "[ . 1 . 2]" 1
325 1 72 VAL HA 1 72 VAL HB 3.000 . 3.500 2.464 2.456 2.484 . 0 0 "[ . 1 . 2]" 1
326 1 73 ASN H 1 73 ASN HD22 5.000 . 6.000 3.150 2.937 3.282 . 0 0 "[ . 1 . 2]" 1
327 1 73 ASN H 1 73 ASN QB 3.000 . 3.500 2.754 2.698 2.823 . 0 0 "[ . 1 . 2]" 1
328 1 74 LEU H 1 74 LEU HA 3.000 . 3.500 2.850 2.846 2.853 . 0 0 "[ . 1 . 2]" 1
329 1 74 LEU H 1 74 LEU HB3 4.000 . 4.750 3.585 3.571 3.592 . 0 0 "[ . 1 . 2]" 1
330 1 74 LEU H 1 74 LEU HB2 3.000 . 3.500 2.720 2.626 2.822 . 0 0 "[ . 1 . 2]" 1
331 1 74 LEU H 1 74 LEU HG 3.000 . 3.500 2.064 1.978 2.176 . 0 0 "[ . 1 . 2]" 1
332 1 74 LEU H 1 74 LEU MD1 5.000 . 6.000 2.519 2.321 2.766 . 0 0 "[ . 1 . 2]" 1
333 1 74 LEU H 1 74 LEU MD2 5.000 . 6.000 3.693 3.643 3.757 . 0 0 "[ . 1 . 2]" 1
334 1 74 LEU HA 1 74 LEU HB3 3.000 . 3.500 2.351 2.314 2.390 . 0 0 "[ . 1 . 2]" 1
335 1 74 LEU HA 1 74 LEU HB2 3.000 . 3.500 3.000 2.986 3.010 . 0 0 "[ . 1 . 2]" 1
336 1 74 LEU HA 1 74 LEU HG 4.000 . 4.750 2.803 2.745 2.855 . 0 0 "[ . 1 . 2]" 1
337 1 74 LEU HA 1 74 LEU MD2 3.000 . 3.500 2.955 2.800 3.119 . 0 0 "[ . 1 . 2]" 1
338 1 74 LEU HB3 1 74 LEU HG 3.000 . 3.500 2.882 2.846 2.911 . 0 0 "[ . 1 . 2]" 1
339 1 74 LEU HB3 1 74 LEU MD2 3.000 . 3.500 2.123 2.059 2.149 . 0 0 "[ . 1 . 2]" 1
340 1 74 LEU HB2 1 74 LEU HG 3.000 . 3.500 2.816 2.779 2.861 . 0 0 "[ . 1 . 2]" 1
341 1 75 THR H 1 75 THR HA 3.000 . 3.500 2.871 2.828 2.883 . 0 0 "[ . 1 . 2]" 1
342 1 75 THR H 1 75 THR HB 4.000 . 4.750 2.913 2.575 3.324 . 0 0 "[ . 1 . 2]" 1
343 1 75 THR HA 1 75 THR MG 3.000 . 3.500 2.211 2.035 2.332 . 0 0 "[ . 1 . 2]" 1
344 1 76 THR H 1 76 THR HA 3.000 . 3.500 2.948 2.943 2.950 . 0 0 "[ . 1 . 2]" 1
345 1 76 THR H 1 76 THR HB 4.000 . 4.750 3.177 2.968 3.577 . 0 0 "[ . 1 . 2]" 1
346 1 76 THR H 1 76 THR HG1 5.000 . 6.000 2.755 1.998 3.452 . 0 0 "[ . 1 . 2]" 1
347 1 76 THR H 1 76 THR MG 4.000 . 4.750 3.747 3.349 3.887 . 0 0 "[ . 1 . 2]" 1
348 1 76 THR HA 1 76 THR HB 3.000 . 3.500 2.889 2.676 2.972 . 0 0 "[ . 1 . 2]" 1
349 1 76 THR HA 1 76 THR MG 3.000 . 3.500 2.146 2.040 2.261 . 0 0 "[ . 1 . 2]" 1
350 1 77 LEU H 1 77 LEU HA 3.000 . 3.500 2.270 2.265 2.273 . 0 0 "[ . 1 . 2]" 1
351 1 77 LEU H 1 77 LEU HB3 4.000 . 4.750 4.085 4.062 4.097 . 0 0 "[ . 1 . 2]" 1
352 1 77 LEU H 1 77 LEU HB2 4.000 . 4.750 3.343 3.248 3.559 . 0 0 "[ . 1 . 2]" 1
353 1 77 LEU H 1 77 LEU HG 4.000 . 4.750 3.165 2.889 3.357 . 0 0 "[ . 1 . 2]" 1
354 1 77 LEU H 1 77 LEU MD1 5.000 . 6.000 4.475 4.354 4.567 . 0 0 "[ . 1 . 2]" 1
355 1 77 LEU H 1 77 LEU MD2 5.000 . 6.000 3.500 3.204 3.954 . 0 0 "[ . 1 . 2]" 1
356 1 77 LEU HA 1 77 LEU HB3 3.000 . 3.500 2.631 2.469 2.726 . 0 0 "[ . 1 . 2]" 1
357 1 77 LEU HA 1 77 LEU HG 3.000 . 3.500 2.836 2.574 3.033 . 0 0 "[ . 1 . 2]" 1
358 1 77 LEU HA 1 77 LEU MD2 3.000 . 3.500 2.007 1.930 2.152 . 0 0 "[ . 1 . 2]" 1
359 1 77 LEU HB3 1 77 LEU HG 3.000 . 3.500 3.018 3.014 3.020 . 0 0 "[ . 1 . 2]" 1
360 1 77 LEU HB3 1 77 LEU MD1 3.000 . 3.500 2.376 2.221 2.481 . 0 0 "[ . 1 . 2]" 1
361 1 77 LEU HB3 1 77 LEU MD2 3.000 . 3.500 2.336 2.254 2.377 . 0 0 "[ . 1 . 2]" 1
362 1 77 LEU HB2 1 77 LEU HG 2.500 . 2.800 2.468 2.422 2.537 . 0 0 "[ . 1 . 2]" 1
363 1 77 LEU HB2 1 77 LEU MD1 3.000 . 3.500 2.307 2.179 2.437 . 0 0 "[ . 1 . 2]" 1
364 1 78 ARG H 1 78 ARG QB 3.000 . 3.500 2.527 2.304 2.721 . 0 0 "[ . 1 . 2]" 1
365 1 78 ARG H 1 78 ARG QG 4.000 . 4.750 2.880 2.363 4.003 . 0 0 "[ . 1 . 2]" 1
366 1 78 ARG H 1 78 ARG QD 4.000 . 4.750 4.158 2.988 4.762 0.012 7 0 "[ . 1 . 2]" 1
367 1 78 ARG HA 1 78 ARG HE 5.000 . 6.000 4.460 2.935 5.618 . 0 0 "[ . 1 . 2]" 1
368 1 78 ARG HA 1 78 ARG QG 3.000 . 3.500 2.536 2.177 3.016 . 0 0 "[ . 1 . 2]" 1
369 1 78 ARG QB 1 78 ARG HE 4.000 . 4.750 3.433 1.956 4.413 . 0 0 "[ . 1 . 2]" 1
370 1 78 ARG QB 1 78 ARG QD 3.000 . 3.500 2.182 1.949 2.690 . 0 0 "[ . 1 . 2]" 1
371 1 79 VAL H 1 79 VAL HB 3.000 . 3.500 2.650 2.603 2.753 . 0 0 "[ . 1 . 2]" 1
372 1 79 VAL H 1 79 VAL MG2 4.000 . 4.750 2.369 2.164 2.552 . 0 0 "[ . 1 . 2]" 1
373 1 80 TRP H 1 80 TRP HB3 3.000 . 3.500 2.705 2.674 2.732 . 0 0 "[ . 1 . 2]" 1
374 1 80 TRP H 1 80 TRP HB2 3.000 . 3.500 3.199 3.137 3.295 . 0 0 "[ . 1 . 2]" 1
375 1 80 TRP H 1 80 TRP HD1 5.000 . 6.000 4.850 4.769 4.937 . 0 0 "[ . 1 . 2]" 1
376 1 80 TRP H 1 80 TRP HE3 5.000 . 6.000 5.275 5.173 5.401 . 0 0 "[ . 1 . 2]" 1
377 1 80 TRP HA 1 80 TRP HD1 5.000 . 6.000 4.343 4.235 4.447 . 0 0 "[ . 1 . 2]" 1
378 1 80 TRP HA 1 80 TRP HE3 3.000 . 3.500 2.930 2.691 3.130 . 0 0 "[ . 1 . 2]" 1
379 1 80 TRP HB3 1 80 TRP HE3 4.000 . 4.750 4.153 4.119 4.188 . 0 0 "[ . 1 . 2]" 1
380 1 80 TRP HB2 1 80 TRP HE3 3.000 . 3.500 2.649 2.577 2.749 . 0 0 "[ . 1 . 2]" 1
381 1 81 CYS H 1 81 CYS HB3 3.000 . 3.500 2.707 2.683 2.738 . 0 0 "[ . 1 . 2]" 1
382 1 81 CYS H 1 81 CYS HB2 3.000 . 3.500 2.859 2.780 2.930 . 0 0 "[ . 1 . 2]" 1
383 1 81 CYS HA 1 81 CYS HB2 3.000 . 3.500 2.537 2.516 2.565 . 0 0 "[ . 1 . 2]" 1
384 1 82 TYR H 1 82 TYR HB3 4.000 . 4.750 3.549 3.513 3.570 . 0 0 "[ . 1 . 2]" 1
385 1 82 TYR H 1 82 TYR HB2 3.000 . 3.500 2.283 2.212 2.335 . 0 0 "[ . 1 . 2]" 1
386 1 82 TYR H 1 82 TYR QD 3.000 . 3.500 3.143 2.846 3.399 . 0 0 "[ . 1 . 2]" 1
387 1 82 TYR H 1 82 TYR QE 5.000 . 6.000 4.863 4.669 5.059 . 0 0 "[ . 1 . 2]" 1
388 1 82 TYR HA 1 82 TYR HB3 3.000 . 3.500 2.599 2.564 2.647 . 0 0 "[ . 1 . 2]" 1
389 1 82 TYR HA 1 82 TYR QD 3.000 . 3.500 2.286 1.974 2.561 . 0 0 "[ . 1 . 2]" 1
390 1 82 TYR HA 1 82 TYR QE 5.000 . 6.000 4.309 4.193 4.435 . 0 0 "[ . 1 . 2]" 1
391 1 82 TYR HB3 1 82 TYR QD 3.000 . 3.500 2.643 2.546 2.740 . 0 0 "[ . 1 . 2]" 1
392 1 82 TYR HB2 1 82 TYR QD 3.000 . 3.500 2.287 2.276 2.307 . 0 0 "[ . 1 . 2]" 1
393 1 83 ALA H 1 83 ALA HA 3.000 . 3.500 2.798 2.791 2.807 . 0 0 "[ . 1 . 2]" 1
394 1 83 ALA H 1 83 ALA MB 3.000 . 3.500 2.227 2.219 2.234 . 0 0 "[ . 1 . 2]" 1
395 1 84 CYS H 1 84 CYS HA 3.000 . 3.500 2.840 2.835 2.846 . 0 0 "[ . 1 . 2]" 1
396 1 84 CYS H 1 84 CYS HB3 4.000 . 4.750 3.514 3.502 3.525 . 0 0 "[ . 1 . 2]" 1
397 1 84 CYS H 1 84 CYS HB2 3.000 . 3.500 2.218 2.199 2.237 . 0 0 "[ . 1 . 2]" 1
398 1 84 CYS HA 1 84 CYS HB3 3.000 . 3.500 2.643 2.631 2.656 . 0 0 "[ . 1 . 2]" 1
399 1 85 SER H 1 85 SER HA 3.000 . 3.500 2.280 2.276 2.284 . 0 0 "[ . 1 . 2]" 1
400 1 86 LYS H 1 86 LYS HA 3.000 . 3.500 2.819 2.807 2.855 . 0 0 "[ . 1 . 2]" 1
401 1 86 LYS H 1 86 LYS QG 4.000 . 4.750 2.523 2.342 2.675 . 0 0 "[ . 1 . 2]" 1
402 1 86 LYS HA 1 86 LYS QB 2.500 . 2.800 2.175 2.162 2.180 . 0 0 "[ . 1 . 2]" 1
403 1 86 LYS QB 1 86 LYS QD 3.000 . 3.500 2.155 1.923 2.411 . 0 0 "[ . 1 . 2]" 1
404 1 86 LYS QB 1 86 LYS QE 3.000 . 3.500 2.690 1.956 3.505 0.005 15 0 "[ . 1 . 2]" 1
405 1 86 LYS QE 1 86 LYS QG 3.000 . 3.500 2.159 1.972 2.734 . 0 0 "[ . 1 . 2]" 1
406 1 87 GLU H 1 87 GLU QB 3.000 . 3.500 2.456 2.153 2.758 . 0 0 "[ . 1 . 2]" 1
407 1 87 GLU H 1 87 GLU QG 4.000 . 4.750 2.938 1.989 4.009 . 0 0 "[ . 1 . 2]" 1
408 1 88 VAL H 1 88 VAL HA 3.000 . 3.500 2.941 2.916 2.949 . 0 0 "[ . 1 . 2]" 1
409 1 88 VAL H 1 88 VAL HB 4.000 . 4.750 3.785 3.716 3.903 . 0 0 "[ . 1 . 2]" 1
410 1 88 VAL H 1 88 VAL MG1 4.000 . 4.750 3.149 2.901 3.291 . 0 0 "[ . 1 . 2]" 1
411 1 88 VAL H 1 88 VAL MG2 4.000 . 4.750 2.092 1.951 2.328 . 0 0 "[ . 1 . 2]" 1
412 1 88 VAL HA 1 88 VAL HB 3.000 . 3.500 2.529 2.469 2.558 . 0 0 "[ . 1 . 2]" 1
413 1 88 VAL HA 1 88 VAL MG1 3.000 . 3.500 2.243 2.101 2.383 . 0 0 "[ . 1 . 2]" 1
414 1 89 PHE H 1 89 PHE HB3 3.000 . 3.500 3.168 3.011 3.288 . 0 0 "[ . 1 . 2]" 1
415 1 89 PHE H 1 89 PHE HB2 4.000 . 4.750 3.755 3.718 3.786 . 0 0 "[ . 1 . 2]" 1
416 1 89 PHE H 1 89 PHE QD 3.000 . 3.500 2.388 2.126 2.767 . 0 0 "[ . 1 . 2]" 1
417 1 89 PHE HA 1 89 PHE HB3 3.000 . 3.500 2.413 2.361 2.463 . 0 0 "[ . 1 . 2]" 1
418 1 89 PHE HA 1 89 PHE HB2 3.000 . 3.500 2.497 2.443 2.558 . 0 0 "[ . 1 . 2]" 1
419 1 89 PHE HA 1 89 PHE QD 4.000 . 4.750 3.700 3.663 3.723 . 0 0 "[ . 1 . 2]" 1
420 1 89 PHE HB3 1 89 PHE QD 3.000 . 3.500 2.458 2.376 2.516 . 0 0 "[ . 1 . 2]" 1
421 1 89 PHE HB2 1 89 PHE QD 3.000 . 3.500 2.327 2.292 2.391 . 0 0 "[ . 1 . 2]" 1
422 1 90 LEU H 1 90 LEU HG 4.000 . 4.750 3.837 1.990 4.666 . 0 0 "[ . 1 . 2]" 1
423 1 90 LEU H 1 90 LEU MD1 5.000 . 6.000 3.926 2.029 4.423 . 0 0 "[ . 1 . 2]" 1
424 1 90 LEU H 1 90 LEU MD2 5.000 . 6.000 3.586 2.395 4.354 . 0 0 "[ . 1 . 2]" 1
425 1 90 LEU H 1 90 LEU QB 3.000 . 3.500 2.304 2.046 3.004 . 0 0 "[ . 1 . 2]" 1
426 1 90 LEU HA 1 90 LEU HG 4.000 . 4.750 3.290 2.469 3.684 . 0 0 "[ . 1 . 2]" 1
427 1 90 LEU HA 1 90 LEU MD1 4.000 . 4.750 2.807 1.993 3.774 . 0 0 "[ . 1 . 2]" 1
428 1 90 LEU HA 1 90 LEU MD2 4.000 . 4.750 2.668 1.942 4.114 . 0 0 "[ . 1 . 2]" 1
429 1 91 ASP H 1 91 ASP HA 3.000 . 3.500 2.894 2.822 2.947 . 0 0 "[ . 1 . 2]" 1
430 1 91 ASP H 1 91 ASP QB 3.000 . 3.500 2.520 2.108 3.293 . 0 0 "[ . 1 . 2]" 1
431 1 92 ARG H 1 92 ARG QB 3.000 . 3.500 2.275 2.039 2.473 . 0 0 "[ . 1 . 2]" 1
432 1 92 ARG H 1 92 ARG QG 4.000 . 4.750 3.637 2.445 4.142 . 0 0 "[ . 1 . 2]" 1
433 1 92 ARG HA 1 92 ARG QG 3.000 . 3.500 2.277 2.013 3.009 . 0 0 "[ . 1 . 2]" 1
434 1 92 ARG HA 1 92 ARG QD 4.000 . 4.750 3.506 1.986 4.121 . 0 0 "[ . 1 . 2]" 1
435 1 92 ARG QB 1 92 ARG HE 4.000 . 4.750 3.578 2.012 4.299 . 0 0 "[ . 1 . 2]" 1
436 1 92 ARG QB 1 92 ARG QD 3.000 . 3.500 2.148 1.934 2.393 . 0 0 "[ . 1 . 2]" 1
437 1 93 LYS H 1 93 LYS HA 3.000 . 3.500 2.705 2.271 2.941 . 0 0 "[ . 1 . 2]" 1
438 1 93 LYS H 1 93 LYS QB 3.000 . 3.500 2.755 2.190 3.325 . 0 0 "[ . 1 . 2]" 1
439 1 93 LYS H 1 93 LYS QG 4.000 . 4.750 3.507 2.403 4.333 . 0 0 "[ . 1 . 2]" 1
440 1 93 LYS HA 1 93 LYS QD 4.000 . 4.750 3.529 2.314 4.169 . 0 0 "[ . 1 . 2]" 1
441 1 93 LYS QB 1 93 LYS QD 3.000 . 3.500 2.062 1.922 2.227 . 0 0 "[ . 1 . 2]" 1
442 1 93 LYS QE 1 93 LYS QG 3.000 . 3.500 2.151 1.958 2.422 . 0 0 "[ . 1 . 2]" 1
443 1 94 LEU H 1 94 LEU HA 3.000 . 3.500 2.787 2.270 2.947 . 0 0 "[ . 1 . 2]" 1
444 1 94 LEU H 1 94 LEU HG 3.000 . 3.500 2.884 1.975 3.501 0.001 12 0 "[ . 1 . 2]" 1
445 1 94 LEU H 1 94 LEU MD1 4.000 . 4.750 3.557 1.935 4.417 . 0 0 "[ . 1 . 2]" 1
446 1 94 LEU H 1 94 LEU MD2 4.000 . 4.750 3.863 2.452 4.392 . 0 0 "[ . 1 . 2]" 1
447 1 94 LEU H 1 94 LEU QB 3.000 . 3.500 2.644 2.178 3.437 . 0 0 "[ . 1 . 2]" 1
448 1 94 LEU HA 1 94 LEU HG 3.000 . 3.500 2.822 2.406 3.571 0.071 7 0 "[ . 1 . 2]" 1
449 1 94 LEU HA 1 94 LEU MD1 4.000 . 4.750 3.798 3.351 3.980 . 0 0 "[ . 1 . 2]" 1
450 1 94 LEU HA 1 94 LEU MD2 4.000 . 4.750 2.562 1.955 3.839 . 0 0 "[ . 1 . 2]" 1
451 1 96 THR H 1 96 THR HB 4.000 . 4.750 3.244 2.603 3.852 . 0 0 "[ . 1 . 2]" 1
452 1 96 THR H 1 96 THR MG 4.000 . 4.750 3.519 1.966 4.037 . 0 0 "[ . 1 . 2]" 1
453 1 96 THR HA 1 96 THR HB 3.000 . 3.500 2.814 2.288 3.024 . 0 0 "[ . 1 . 2]" 1
454 1 97 GLN H 1 97 GLN HA 3.000 . 3.500 2.782 2.273 2.948 . 0 0 "[ . 1 . 2]" 1
455 1 97 GLN H 1 97 GLN QB 3.000 . 3.500 2.660 2.075 3.219 . 0 0 "[ . 1 . 2]" 1
456 1 97 GLN H 1 97 GLN QG 4.000 . 4.750 3.532 1.953 4.296 . 0 0 "[ . 1 . 2]" 1
457 1 5 HIS HA 1 6 CYS H 4.000 . 4.750 2.637 2.223 3.565 . 0 0 "[ . 1 . 2]" 1
458 1 5 HIS QB 1 6 CYS H 5.000 . 6.000 2.801 2.290 3.341 . 0 0 "[ . 1 . 2]" 1
459 1 6 CYS HA 1 7 PRO QG 5.000 . 6.000 3.895 3.877 3.914 . 0 0 "[ . 1 . 2]" 1
460 1 6 CYS HA 1 7 PRO QD 3.000 . 3.500 1.996 1.979 2.015 . 0 0 "[ . 1 . 2]" 1
461 1 6 CYS HB3 1 7 PRO QD 4.000 . 4.750 4.064 4.017 4.101 . 0 0 "[ . 1 . 2]" 1
462 1 6 CYS HB2 1 7 PRO QD 4.000 . 4.750 3.172 3.088 3.243 . 0 0 "[ . 1 . 2]" 1
463 1 7 PRO HA 1 8 HIS H 4.000 . 4.750 3.565 3.510 3.574 . 0 0 "[ . 1 . 2]" 1
464 1 7 PRO QB 1 8 HIS H 4.000 . 4.750 2.948 2.891 3.307 . 0 0 "[ . 1 . 2]" 1
465 1 7 PRO QG 1 8 HIS H 4.000 . 4.750 2.058 1.991 2.486 . 0 0 "[ . 1 . 2]" 1
466 1 7 PRO QG 1 8 HIS HE1 3.000 . 3.500 3.514 3.506 3.519 0.019 1 0 "[ . 1 . 2]" 1
467 1 7 PRO QD 1 8 HIS H 4.000 . 4.750 2.745 2.676 2.822 . 0 0 "[ . 1 . 2]" 1
468 1 7 PRO QD 1 8 HIS HE1 5.000 . 6.000 3.671 3.574 3.785 . 0 0 "[ . 1 . 2]" 1
469 1 8 HIS H 1 9 LEU H 3.000 . 3.500 3.024 2.764 3.052 . 0 0 "[ . 1 . 2]" 1
470 1 8 HIS H 1 9 LEU HA 5.000 . 6.000 5.531 5.332 5.553 . 0 0 "[ . 1 . 2]" 1
471 1 8 HIS H 1 9 LEU HB3 5.000 . 6.000 5.584 5.218 5.669 . 0 0 "[ . 1 . 2]" 1
472 1 8 HIS H 1 9 LEU HG 4.000 . 4.750 4.353 4.248 4.561 . 0 0 "[ . 1 . 2]" 1
473 1 8 HIS H 1 9 LEU MD1 5.000 . 6.000 5.508 5.362 5.741 . 0 0 "[ . 1 . 2]" 1
474 1 8 HIS H 1 9 LEU MD2 5.000 . 6.000 4.926 4.702 5.015 . 0 0 "[ . 1 . 2]" 1
475 1 8 HIS HA 1 9 LEU H 4.000 . 4.750 3.568 3.563 3.574 . 0 0 "[ . 1 . 2]" 1
476 1 8 HIS HB3 1 9 LEU H 4.000 . 4.750 3.576 3.543 3.608 . 0 0 "[ . 1 . 2]" 1
477 1 8 HIS HB2 1 9 LEU H 3.000 . 3.500 2.280 2.270 2.315 . 0 0 "[ . 1 . 2]" 1
478 1 9 LEU H 1 10 ASP H 3.000 . 3.500 2.483 2.449 2.525 . 0 0 "[ . 1 . 2]" 1
479 1 9 LEU HA 1 10 ASP H 4.000 . 4.750 3.515 3.500 3.541 . 0 0 "[ . 1 . 2]" 1
480 1 9 LEU HB3 1 10 ASP H 4.000 . 4.750 3.984 3.905 4.045 . 0 0 "[ . 1 . 2]" 1
481 1 9 LEU HB2 1 10 ASP H 4.000 . 4.750 3.828 3.720 3.941 . 0 0 "[ . 1 . 2]" 1
482 1 9 LEU HG 1 10 ASP H 3.000 . 3.500 2.160 2.016 2.259 . 0 0 "[ . 1 . 2]" 1
483 1 9 LEU MD1 1 10 ASP H 5.000 . 6.000 2.518 2.277 2.810 . 0 0 "[ . 1 . 2]" 1
484 1 9 LEU MD1 1 10 ASP HA 5.000 . 6.000 2.504 2.350 2.626 . 0 0 "[ . 1 . 2]" 1
485 1 9 LEU MD2 1 10 ASP H 4.000 . 4.750 3.867 3.757 3.944 . 0 0 "[ . 1 . 2]" 1
486 1 10 ASP H 1 11 SER H 3.000 . 3.500 2.710 2.655 2.762 . 0 0 "[ . 1 . 2]" 1
487 1 10 ASP HA 1 11 SER H 4.000 . 4.750 3.449 3.439 3.452 . 0 0 "[ . 1 . 2]" 1
488 1 10 ASP QB 1 11 SER H 4.000 . 4.750 3.060 3.003 3.681 . 0 0 "[ . 1 . 2]" 1
489 1 11 SER H 1 12 VAL H 3.000 . 3.500 2.426 2.387 2.465 . 0 0 "[ . 1 . 2]" 1
490 1 11 SER H 1 12 VAL HB 5.000 . 6.000 6.015 5.982 6.036 0.036 12 0 "[ . 1 . 2]" 1
491 1 11 SER H 1 12 VAL MG2 5.000 . 6.000 3.600 3.471 3.890 . 0 0 "[ . 1 . 2]" 1
492 1 11 SER HA 1 12 VAL H 4.000 . 4.750 3.547 3.542 3.555 . 0 0 "[ . 1 . 2]" 1
493 1 11 SER HA 1 12 VAL MG1 5.000 . 6.000 4.931 4.833 5.032 . 0 0 "[ . 1 . 2]" 1
494 1 11 SER HA 1 12 VAL MG2 5.000 . 6.000 5.010 4.949 5.139 . 0 0 "[ . 1 . 2]" 1
495 1 11 SER QB 1 12 VAL H 4.000 . 4.750 2.762 2.519 3.368 . 0 0 "[ . 1 . 2]" 1
496 1 11 SER QB 1 12 VAL MG2 5.000 . 6.000 4.207 3.907 4.678 . 0 0 "[ . 1 . 2]" 1
497 1 12 VAL H 1 13 GLY H 4.000 . 4.750 4.594 4.523 4.638 . 0 0 "[ . 1 . 2]" 1
498 1 12 VAL HA 1 13 GLY H 2.500 . 2.800 2.324 2.148 2.634 . 0 0 "[ . 1 . 2]" 1
499 1 12 VAL HB 1 13 GLY H 3.000 . 3.500 2.671 1.993 3.303 . 0 0 "[ . 1 . 2]" 1
500 1 12 VAL MG1 1 13 GLY H 4.000 . 4.750 3.766 3.554 3.953 . 0 0 "[ . 1 . 2]" 1
501 1 12 VAL MG2 1 13 GLY H 4.000 . 4.750 3.583 2.938 4.031 . 0 0 "[ . 1 . 2]" 1
502 1 13 GLY QA 1 14 GLU H 2.500 . 2.800 2.149 2.110 2.275 . 0 0 "[ . 1 . 2]" 1
503 1 14 GLU HA 1 15 ILE H 2.500 . 2.800 2.339 2.237 2.419 . 0 0 "[ . 1 . 2]" 1
504 1 14 GLU HB3 1 15 ILE H 3.000 . 3.500 3.318 3.028 3.502 0.002 11 0 "[ . 1 . 2]" 1
505 1 14 GLU HB2 1 15 ILE H 4.000 . 4.750 4.081 3.972 4.255 . 0 0 "[ . 1 . 2]" 1
506 1 14 GLU QG 1 15 ILE H 3.000 . 3.500 2.167 1.983 2.519 . 0 0 "[ . 1 . 2]" 1
507 1 15 ILE H 1 16 THR H 4.000 . 4.750 4.540 4.485 4.593 . 0 0 "[ . 1 . 2]" 1
508 1 15 ILE H 1 16 THR MG 5.000 . 6.000 5.398 5.001 5.626 . 0 0 "[ . 1 . 2]" 1
509 1 15 ILE HA 1 16 THR H 2.500 . 2.800 2.249 2.193 2.300 . 0 0 "[ . 1 . 2]" 1
510 1 15 ILE HA 1 16 THR MG 5.000 . 6.000 3.719 3.434 4.113 . 0 0 "[ . 1 . 2]" 1
511 1 15 ILE HB 1 16 THR H 4.000 . 4.750 3.891 3.670 4.151 . 0 0 "[ . 1 . 2]" 1
512 1 15 ILE MG 1 16 THR H 5.000 . 6.000 2.821 1.952 3.805 . 0 0 "[ . 1 . 2]" 1
513 1 15 ILE MG 1 16 THR HA 5.000 . 6.000 4.102 3.959 4.350 . 0 0 "[ . 1 . 2]" 1
514 1 15 ILE MD 1 16 THR H 5.000 . 6.000 4.271 3.414 4.806 . 0 0 "[ . 1 . 2]" 1
515 1 15 ILE QG 1 16 THR H 4.000 . 4.750 3.248 2.045 4.539 . 0 0 "[ . 1 . 2]" 1
516 1 16 THR H 1 17 LYS H 5.000 . 6.000 4.604 4.571 4.614 . 0 0 "[ . 1 . 2]" 1
517 1 16 THR HA 1 17 LYS H 3.000 . 3.500 2.365 2.354 2.372 . 0 0 "[ . 1 . 2]" 1
518 1 16 THR HB 1 17 LYS H 3.000 . 3.500 2.531 2.506 2.584 . 0 0 "[ . 1 . 2]" 1
519 1 16 THR MG 1 17 LYS H 5.000 . 6.000 3.706 3.431 3.945 . 0 0 "[ . 1 . 2]" 1
520 1 17 LYS H 1 18 GLU H 3.000 . 3.500 2.675 2.610 2.765 . 0 0 "[ . 1 . 2]" 1
521 1 17 LYS HA 1 18 GLU H 4.000 . 4.750 3.515 3.481 3.553 . 0 0 "[ . 1 . 2]" 1
522 1 17 LYS QB 1 18 GLU H 3.000 . 3.500 2.825 2.452 3.501 0.001 13 0 "[ . 1 . 2]" 1
523 1 17 LYS QG 1 18 GLU H 4.000 . 4.750 3.976 1.975 4.540 . 0 0 "[ . 1 . 2]" 1
524 1 18 GLU H 1 19 ASP H 3.000 . 3.500 2.712 2.648 2.769 . 0 0 "[ . 1 . 2]" 1
525 1 18 GLU HA 1 19 ASP H 4.000 . 4.750 3.531 3.495 3.556 . 0 0 "[ . 1 . 2]" 1
526 1 18 GLU QB 1 19 ASP H 3.000 . 3.500 2.682 2.431 3.354 . 0 0 "[ . 1 . 2]" 1
527 1 18 GLU QG 1 19 ASP H 4.000 . 4.750 4.162 1.958 4.639 . 0 0 "[ . 1 . 2]" 1
528 1 19 ASP H 1 20 LEU H 2.500 . 2.800 2.573 2.512 2.657 . 0 0 "[ . 1 . 2]" 1
529 1 19 ASP H 1 20 LEU HA 5.000 . 6.000 5.197 5.148 5.256 . 0 0 "[ . 1 . 2]" 1
530 1 19 ASP H 1 20 LEU HG 4.000 . 4.750 4.561 4.263 4.753 0.003 7 0 "[ . 1 . 2]" 1
531 1 19 ASP H 1 20 LEU MD2 5.000 . 6.000 5.201 4.718 5.637 . 0 0 "[ . 1 . 2]" 1
532 1 19 ASP HA 1 20 LEU H 4.000 . 4.750 3.543 3.512 3.563 . 0 0 "[ . 1 . 2]" 1
533 1 19 ASP HB3 1 20 LEU H 3.000 . 3.500 3.245 3.050 3.501 0.001 3 0 "[ . 1 . 2]" 1
534 1 19 ASP HB2 1 20 LEU H 3.000 . 3.500 2.785 2.593 2.981 . 0 0 "[ . 1 . 2]" 1
535 1 20 LEU H 1 21 ILE H 3.000 . 3.500 2.594 2.513 2.707 . 0 0 "[ . 1 . 2]" 1
536 1 20 LEU H 1 21 ILE HB 4.000 . 4.750 4.598 4.452 4.737 . 0 0 "[ . 1 . 2]" 1
537 1 20 LEU HA 1 21 ILE H 4.000 . 4.750 3.501 3.497 3.507 . 0 0 "[ . 1 . 2]" 1
538 1 20 LEU HB3 1 21 ILE H 4.000 . 4.750 3.744 3.639 3.865 . 0 0 "[ . 1 . 2]" 1
539 1 20 LEU HB2 1 21 ILE H 3.000 . 3.500 2.874 2.821 2.929 . 0 0 "[ . 1 . 2]" 1
540 1 20 LEU HG 1 21 ILE H 4.000 . 4.750 4.559 4.360 4.729 . 0 0 "[ . 1 . 2]" 1
541 1 20 LEU MD1 1 21 ILE H 5.000 . 6.000 4.836 4.728 4.918 . 0 0 "[ . 1 . 2]" 1
542 1 20 LEU MD2 1 21 ILE H 5.000 . 6.000 4.612 4.518 4.723 . 0 0 "[ . 1 . 2]" 1
543 1 21 ILE H 1 22 GLN H 3.000 . 3.500 2.802 2.775 2.837 . 0 0 "[ . 1 . 2]" 1
544 1 21 ILE HA 1 22 GLN H 4.000 . 4.750 3.546 3.532 3.563 . 0 0 "[ . 1 . 2]" 1
545 1 21 ILE HB 1 22 GLN H 3.000 . 3.500 3.125 2.591 3.528 0.028 9 0 "[ . 1 . 2]" 1
546 1 21 ILE MG 1 22 GLN H 4.000 . 4.750 2.440 1.892 3.208 . 0 0 "[ . 1 . 2]" 1
547 1 21 ILE MD 1 22 GLN H 5.000 . 6.000 4.676 4.364 4.962 . 0 0 "[ . 1 . 2]" 1
548 1 21 ILE QG 1 22 GLN H 4.000 . 4.750 4.217 4.175 4.254 . 0 0 "[ . 1 . 2]" 1
549 1 22 GLN H 1 23 LYS H 3.000 . 3.500 2.602 2.563 2.674 . 0 0 "[ . 1 . 2]" 1
550 1 22 GLN HA 1 23 LYS H 3.000 . 3.500 3.524 3.516 3.538 0.038 10 0 "[ . 1 . 2]" 1
551 1 22 GLN QB 1 23 LYS H 3.000 . 3.500 2.627 2.444 2.750 . 0 0 "[ . 1 . 2]" 1
552 1 22 GLN QG 1 23 LYS H 4.000 . 4.750 4.313 3.565 4.516 . 0 0 "[ . 1 . 2]" 1
553 1 23 LYS H 1 24 SER H 3.000 . 3.500 2.503 2.476 2.560 . 0 0 "[ . 1 . 2]" 1
554 1 23 LYS HA 1 24 SER H 4.000 . 4.750 3.485 3.481 3.490 . 0 0 "[ . 1 . 2]" 1
555 1 23 LYS QB 1 24 SER H 3.000 . 3.500 2.762 2.737 2.801 . 0 0 "[ . 1 . 2]" 1
556 1 23 LYS QG 1 24 SER H 4.000 . 4.750 3.831 3.604 4.319 . 0 0 "[ . 1 . 2]" 1
557 1 24 SER H 1 25 LEU H 4.000 . 4.750 2.587 2.548 2.625 . 0 0 "[ . 1 . 2]" 1
558 1 24 SER HA 1 25 LEU H 4.000 . 4.750 3.397 3.393 3.403 . 0 0 "[ . 1 . 2]" 1
559 1 24 SER HG 1 25 LEU H 4.000 . 4.750 2.977 2.715 4.217 . 0 0 "[ . 1 . 2]" 1
560 1 24 SER HG 1 25 LEU HA 5.000 . 6.000 3.754 3.413 4.901 . 0 0 "[ . 1 . 2]" 1
561 1 24 SER HG 1 25 LEU HG 4.000 . 4.750 3.592 3.304 4.749 . 0 0 "[ . 1 . 2]" 1
562 1 24 SER HG 1 25 LEU MD1 5.000 . 6.000 4.898 4.404 5.937 . 0 0 "[ . 1 . 2]" 1
563 1 24 SER HG 1 25 LEU MD2 5.000 . 6.000 4.206 3.727 5.184 . 0 0 "[ . 1 . 2]" 1
564 1 24 SER QB 1 25 LEU H 5.000 . 6.000 3.758 3.743 3.781 . 0 0 "[ . 1 . 2]" 1
565 1 25 LEU H 1 26 GLY QA 5.000 . 6.000 4.559 4.549 4.571 . 0 0 "[ . 1 . 2]" 1
566 1 25 LEU HA 1 26 GLY H 3.000 . 3.500 3.431 3.428 3.433 . 0 0 "[ . 1 . 2]" 1
567 1 25 LEU HB3 1 26 GLY H 4.000 . 4.750 3.835 3.755 3.900 . 0 0 "[ . 1 . 2]" 1
568 1 25 LEU HB2 1 26 GLY H 4.000 . 4.750 3.224 3.187 3.274 . 0 0 "[ . 1 . 2]" 1
569 1 25 LEU MD1 1 26 GLY H 5.000 . 6.000 4.945 4.817 5.050 . 0 0 "[ . 1 . 2]" 1
570 1 25 LEU MD2 1 26 GLY H 5.000 . 6.000 4.840 4.719 4.968 . 0 0 "[ . 1 . 2]" 1
571 1 26 GLY QA 1 27 THR H 3.000 . 3.500 2.663 2.622 2.716 . 0 0 "[ . 1 . 2]" 1
572 1 27 THR HA 1 28 CYS H 4.000 . 4.750 2.197 2.191 2.206 . 0 0 "[ . 1 . 2]" 1
573 1 27 THR HB 1 28 CYS H 4.000 . 4.750 3.166 3.038 3.814 . 0 0 "[ . 1 . 2]" 1
574 1 27 THR HB 1 28 CYS HB3 5.000 . 6.000 5.406 5.231 6.012 0.012 4 0 "[ . 1 . 2]" 1
575 1 27 THR MG 1 28 CYS H 5.000 . 6.000 3.726 2.475 4.130 . 0 0 "[ . 1 . 2]" 1
576 1 28 CYS H 1 29 GLN H 5.000 . 6.000 4.567 4.547 4.580 . 0 0 "[ . 1 . 2]" 1
577 1 28 CYS HA 1 29 GLN H 3.000 . 3.500 2.209 2.180 2.238 . 0 0 "[ . 1 . 2]" 1
578 1 28 CYS HB3 1 29 GLN H 5.000 . 6.000 3.929 3.854 3.993 . 0 0 "[ . 1 . 2]" 1
579 1 28 CYS HB2 1 29 GLN H 5.000 . 6.000 4.158 4.054 4.241 . 0 0 "[ . 1 . 2]" 1
580 1 29 GLN HA 1 30 ASP H 4.000 . 4.750 3.484 3.322 3.541 . 0 0 "[ . 1 . 2]" 1
581 1 30 ASP H 1 31 CYS H 4.000 . 4.750 2.555 2.266 2.746 . 0 0 "[ . 1 . 2]" 1
582 1 30 ASP HA 1 31 CYS H 4.000 . 4.750 3.566 3.563 3.570 . 0 0 "[ . 1 . 2]" 1
583 1 31 CYS HA 1 32 LYS H 4.000 . 4.750 2.674 2.498 2.795 . 0 0 "[ . 1 . 2]" 1
584 1 31 CYS HB3 1 32 LYS H 4.000 . 4.750 3.524 3.442 3.658 . 0 0 "[ . 1 . 2]" 1
585 1 31 CYS HB2 1 32 LYS H 3.000 . 3.500 1.998 1.915 2.241 . 0 0 "[ . 1 . 2]" 1
586 1 32 LYS H 1 33 VAL MG1 5.000 . 6.000 4.221 3.276 5.951 . 0 0 "[ . 1 . 2]" 1
587 1 32 LYS H 1 33 VAL MG2 5.000 . 6.000 4.637 3.322 5.977 . 0 0 "[ . 1 . 2]" 1
588 1 32 LYS HA 1 33 VAL H 5.000 . 6.000 2.345 2.146 2.885 . 0 0 "[ . 1 . 2]" 1
589 1 33 VAL HA 1 34 GLN H 3.000 . 3.500 2.627 2.142 3.501 0.001 15 0 "[ . 1 . 2]" 1
590 1 33 VAL HB 1 34 GLN H 4.000 . 4.750 3.640 1.987 4.276 . 0 0 "[ . 1 . 2]" 1
591 1 33 VAL MG1 1 34 GLN H 4.000 . 4.750 3.555 2.087 4.150 . 0 0 "[ . 1 . 2]" 1
592 1 33 VAL MG2 1 34 GLN H 4.000 . 4.750 3.075 2.006 4.226 . 0 0 "[ . 1 . 2]" 1
593 1 34 GLN HA 1 35 GLY H 3.000 . 3.500 2.202 2.141 2.367 . 0 0 "[ . 1 . 2]" 1
594 1 34 GLN QB 1 35 GLY H 3.000 . 3.500 3.126 2.493 3.559 0.059 12 0 "[ . 1 . 2]" 1
595 1 34 GLN QG 1 35 GLY H 4.000 . 4.750 4.101 3.522 4.581 . 0 0 "[ . 1 . 2]" 1
596 1 35 GLY QA 1 36 PRO HA 3.000 . 3.500 2.046 1.957 2.209 . 0 0 "[ . 1 . 2]" 1
597 1 36 PRO HA 1 37 ASN H 3.000 . 3.500 3.180 2.681 3.554 0.054 18 0 "[ . 1 . 2]" 1
598 1 36 PRO QB 1 37 ASN H 3.000 . 3.500 2.431 1.956 3.304 . 0 0 "[ . 1 . 2]" 1
599 1 37 ASN H 1 38 LEU H 4.000 . 4.750 3.699 2.864 4.425 . 0 0 "[ . 1 . 2]" 1
600 1 37 ASN HA 1 38 LEU H 4.000 . 4.750 2.302 2.150 2.551 . 0 0 "[ . 1 . 2]" 1
601 1 38 LEU HA 1 39 TRP H 3.000 . 3.500 2.237 2.205 2.357 . 0 0 "[ . 1 . 2]" 1
602 1 38 LEU HA 1 39 TRP HD1 4.000 . 4.750 2.742 2.557 3.140 . 0 0 "[ . 1 . 2]" 1
603 1 38 LEU HB3 1 39 TRP H 3.000 . 3.500 3.041 2.601 3.205 . 0 0 "[ . 1 . 2]" 1
604 1 38 LEU HB2 1 39 TRP H 4.000 . 4.750 4.214 3.936 4.307 . 0 0 "[ . 1 . 2]" 1
605 1 38 LEU HG 1 39 TRP H 5.000 . 6.000 4.463 4.294 4.736 . 0 0 "[ . 1 . 2]" 1
606 1 38 LEU MD1 1 39 TRP H 4.000 . 4.750 4.468 4.249 4.667 . 0 0 "[ . 1 . 2]" 1
607 1 38 LEU MD2 1 39 TRP H 4.000 . 4.750 2.419 2.058 2.794 . 0 0 "[ . 1 . 2]" 1
608 1 38 LEU MD2 1 39 TRP HD1 5.000 . 6.000 3.774 3.522 4.111 . 0 0 "[ . 1 . 2]" 1
609 1 39 TRP H 1 40 ALA H 4.000 . 4.750 4.492 4.322 4.539 . 0 0 "[ . 1 . 2]" 1
610 1 39 TRP HA 1 40 ALA H 3.000 . 3.500 2.287 2.142 2.386 . 0 0 "[ . 1 . 2]" 1
611 1 39 TRP HA 1 40 ALA MB 5.000 . 6.000 3.850 3.736 3.936 . 0 0 "[ . 1 . 2]" 1
612 1 39 TRP HB3 1 40 ALA H 4.000 . 4.750 2.747 2.477 3.455 . 0 0 "[ . 1 . 2]" 1
613 1 39 TRP HB2 1 40 ALA H 5.000 . 6.000 3.834 3.602 4.331 . 0 0 "[ . 1 . 2]" 1
614 1 39 TRP HE3 1 40 ALA H 5.000 . 6.000 4.188 3.808 4.661 . 0 0 "[ . 1 . 2]" 1
615 1 40 ALA H 1 41 CYS H 5.000 . 6.000 4.381 4.317 4.517 . 0 0 "[ . 1 . 2]" 1
616 1 40 ALA HA 1 41 CYS H 3.000 . 3.500 2.222 2.195 2.250 . 0 0 "[ . 1 . 2]" 1
617 1 40 ALA HA 1 41 CYS HB3 5.000 . 6.000 4.888 4.792 4.935 . 0 0 "[ . 1 . 2]" 1
618 1 40 ALA HA 1 41 CYS HB2 5.000 . 6.000 4.458 4.430 4.496 . 0 0 "[ . 1 . 2]" 1
619 1 40 ALA MB 1 41 CYS H 4.000 . 4.750 2.870 2.768 2.984 . 0 0 "[ . 1 . 2]" 1
620 1 41 CYS HA 1 42 LEU H 3.000 . 3.500 2.174 2.143 2.241 . 0 0 "[ . 1 . 2]" 1
621 1 41 CYS HB3 1 42 LEU H 4.000 . 4.750 4.019 3.834 4.184 . 0 0 "[ . 1 . 2]" 1
622 1 41 CYS HB2 1 42 LEU H 4.000 . 4.750 4.238 4.144 4.306 . 0 0 "[ . 1 . 2]" 1
623 1 42 LEU HA 1 43 GLU H 3.000 . 3.500 3.421 3.373 3.463 . 0 0 "[ . 1 . 2]" 1
624 1 42 LEU HB3 1 43 GLU H 3.000 . 3.500 3.196 3.035 3.351 . 0 0 "[ . 1 . 2]" 1
625 1 42 LEU HB2 1 43 GLU H 4.000 . 4.750 4.071 3.936 4.195 . 0 0 "[ . 1 . 2]" 1
626 1 43 GLU H 1 44 ASN H 4.000 . 4.750 4.548 4.422 4.626 . 0 0 "[ . 1 . 2]" 1
627 1 43 GLU HA 1 44 ASN H 2.500 . 2.800 2.168 2.138 2.224 . 0 0 "[ . 1 . 2]" 1
628 1 43 GLU HA 1 44 ASN HB3 4.000 . 4.750 4.705 4.642 4.753 0.003 15 0 "[ . 1 . 2]" 1
629 1 43 GLU HA 1 44 ASN HB2 4.000 . 4.750 4.510 4.463 4.551 . 0 0 "[ . 1 . 2]" 1
630 1 43 GLU QB 1 44 ASN H 4.000 . 4.750 3.605 3.236 3.853 . 0 0 "[ . 1 . 2]" 1
631 1 43 GLU QG 1 44 ASN H 3.000 . 3.500 2.924 2.323 3.457 . 0 0 "[ . 1 . 2]" 1
632 1 44 ASN H 1 45 ARG H 4.000 . 4.750 2.679 2.560 2.803 . 0 0 "[ . 1 . 2]" 1
633 1 44 ASN HA 1 45 ARG H 3.000 . 3.500 3.518 3.500 3.538 0.038 19 0 "[ . 1 . 2]" 1
634 1 44 ASN HB3 1 45 ARG H 4.000 . 4.750 2.672 2.511 2.813 . 0 0 "[ . 1 . 2]" 1
635 1 44 ASN HB3 1 45 ARG QB 4.000 . 4.750 4.119 3.739 4.726 . 0 0 "[ . 1 . 2]" 1
636 1 44 ASN HB2 1 45 ARG H 4.000 . 4.750 3.893 3.821 3.969 . 0 0 "[ . 1 . 2]" 1
637 1 45 ARG H 1 46 CYS H 3.000 . 3.500 2.415 2.334 2.512 . 0 0 "[ . 1 . 2]" 1
638 1 45 ARG HA 1 46 CYS H 3.000 . 3.500 3.442 3.370 3.475 . 0 0 "[ . 1 . 2]" 1
639 1 45 ARG QB 1 46 CYS H 4.000 . 4.750 3.016 2.848 3.208 . 0 0 "[ . 1 . 2]" 1
640 1 46 CYS H 1 47 SER H 4.000 . 4.750 4.480 4.331 4.570 . 0 0 "[ . 1 . 2]" 1
641 1 46 CYS HA 1 47 SER H 3.000 . 3.500 2.201 2.132 2.273 . 0 0 "[ . 1 . 2]" 1
642 1 46 CYS HB3 1 47 SER H 4.000 . 4.750 3.741 3.470 4.033 . 0 0 "[ . 1 . 2]" 1
643 1 46 CYS HB2 1 47 SER H 4.000 . 4.750 4.296 4.141 4.468 . 0 0 "[ . 1 . 2]" 1
644 1 47 SER H 1 48 TYR H 3.000 . 3.500 2.952 2.439 3.503 0.003 13 0 "[ . 1 . 2]" 1
645 1 47 SER H 1 48 TYR QB 4.000 . 4.750 4.056 3.648 4.324 . 0 0 "[ . 1 . 2]" 1
646 1 47 SER HA 1 48 TYR H 4.000 . 4.750 2.590 2.399 2.795 . 0 0 "[ . 1 . 2]" 1
647 1 47 SER QB 1 48 TYR H 4.000 . 4.750 3.939 3.862 4.059 . 0 0 "[ . 1 . 2]" 1
648 1 48 TYR H 1 49 VAL H 5.000 . 6.000 4.534 4.446 4.604 . 0 0 "[ . 1 . 2]" 1
649 1 48 TYR HA 1 49 VAL H 2.500 . 2.800 2.244 2.209 2.258 . 0 0 "[ . 1 . 2]" 1
650 1 48 TYR QB 1 49 VAL H 4.000 . 4.750 2.941 2.767 3.358 . 0 0 "[ . 1 . 2]" 1
651 1 49 VAL H 1 50 GLY H 5.000 . 6.000 4.374 4.262 4.440 . 0 0 "[ . 1 . 2]" 1
652 1 49 VAL HA 1 50 GLY H 3.000 . 3.500 2.161 2.152 2.174 . 0 0 "[ . 1 . 2]" 1
653 1 49 VAL HB 1 50 GLY H 4.000 . 4.750 4.109 3.984 4.259 . 0 0 "[ . 1 . 2]" 1
654 1 49 VAL MG1 1 50 GLY H 4.000 . 4.750 2.685 2.368 2.930 . 0 0 "[ . 1 . 2]" 1
655 1 49 VAL MG1 1 50 GLY QA 5.000 . 6.000 3.584 3.436 3.710 . 0 0 "[ . 1 . 2]" 1
656 1 49 VAL MG2 1 50 GLY H 4.000 . 4.750 4.213 4.143 4.279 . 0 0 "[ . 1 . 2]" 1
657 1 50 GLY QA 1 51 CYS H 4.000 . 4.750 2.236 2.220 2.253 . 0 0 "[ . 1 . 2]" 1
658 1 51 CYS HA 1 52 GLY H 3.000 . 3.500 2.224 2.178 2.269 . 0 0 "[ . 1 . 2]" 1
659 1 51 CYS HB3 1 52 GLY H 4.000 . 4.750 3.903 3.797 4.038 . 0 0 "[ . 1 . 2]" 1
660 1 51 CYS HB2 1 52 GLY H 3.000 . 3.500 2.951 2.802 3.119 . 0 0 "[ . 1 . 2]" 1
661 1 52 GLY QA 1 53 GLU H 4.000 . 4.750 2.251 2.215 2.273 . 0 0 "[ . 1 . 2]" 1
662 1 53 GLU H 1 54 SER H 4.000 . 4.750 2.690 2.626 2.739 . 0 0 "[ . 1 . 2]" 1
663 1 53 GLU HA 1 54 SER H 4.000 . 4.750 3.428 3.393 3.444 . 0 0 "[ . 1 . 2]" 1
664 1 53 GLU QB 1 54 SER H 4.000 . 4.750 3.269 2.983 3.709 . 0 0 "[ . 1 . 2]" 1
665 1 53 GLU QG 1 54 SER H 4.000 . 4.750 3.868 2.289 4.756 0.006 1 0 "[ . 1 . 2]" 1
666 1 54 SER H 1 55 GLN H 3.000 . 3.500 2.660 2.647 2.672 . 0 0 "[ . 1 . 2]" 1
667 1 54 SER HA 1 55 GLN H 3.000 . 3.500 3.425 3.419 3.436 . 0 0 "[ . 1 . 2]" 1
668 1 54 SER QB 1 55 GLN H 3.000 . 3.500 3.105 3.044 3.143 . 0 0 "[ . 1 . 2]" 1
669 1 55 GLN H 1 56 VAL QG 5.000 . 6.000 4.373 4.318 4.436 . 0 0 "[ . 1 . 2]" 1
670 1 55 GLN HA 1 56 VAL H 4.000 . 4.750 3.567 3.554 3.576 . 0 0 "[ . 1 . 2]" 1
671 1 55 GLN HA 1 56 VAL QG 5.000 . 6.000 3.545 3.469 3.640 . 0 0 "[ . 1 . 2]" 1
672 1 55 GLN HB3 1 56 VAL H 3.000 . 3.500 2.863 2.234 3.331 . 0 0 "[ . 1 . 2]" 1
673 1 55 GLN HB3 1 56 VAL QG 5.000 . 6.000 2.444 2.174 2.732 . 0 0 "[ . 1 . 2]" 1
674 1 55 GLN HB2 1 56 VAL H 3.000 . 3.500 2.110 1.963 2.517 . 0 0 "[ . 1 . 2]" 1
675 1 55 GLN HB2 1 56 VAL QG 5.000 . 6.000 3.243 2.812 3.689 . 0 0 "[ . 1 . 2]" 1
676 1 55 GLN QG 1 56 VAL H 4.000 . 4.750 3.813 3.510 4.089 . 0 0 "[ . 1 . 2]" 1
677 1 55 GLN QG 1 56 VAL QG 5.000 . 6.000 4.172 3.955 4.282 . 0 0 "[ . 1 . 2]" 1
678 1 56 VAL HA 1 57 ASP H 4.000 . 4.750 3.101 3.050 3.153 . 0 0 "[ . 1 . 2]" 1
679 1 56 VAL HB 1 57 ASP H 4.000 . 4.750 3.897 3.826 3.955 . 0 0 "[ . 1 . 2]" 1
680 1 56 VAL QG 1 57 ASP H 4.000 . 4.750 3.730 3.717 3.748 . 0 0 "[ . 1 . 2]" 1
681 1 57 ASP H 1 58 HIS H 3.000 . 3.500 2.806 2.762 2.885 . 0 0 "[ . 1 . 2]" 1
682 1 57 ASP HA 1 58 HIS H 4.000 . 4.750 2.895 2.828 2.943 . 0 0 "[ . 1 . 2]" 1
683 1 57 ASP QB 1 58 HIS H 4.000 . 4.750 3.826 3.768 4.047 . 0 0 "[ . 1 . 2]" 1
684 1 58 HIS H 1 59 SER H 3.000 . 3.500 2.741 2.711 2.795 . 0 0 "[ . 1 . 2]" 1
685 1 58 HIS HA 1 59 SER H 5.000 . 6.000 3.517 3.504 3.537 . 0 0 "[ . 1 . 2]" 1
686 1 58 HIS HB3 1 59 SER H 5.000 . 6.000 3.277 3.099 3.384 . 0 0 "[ . 1 . 2]" 1
687 1 58 HIS HB2 1 59 SER H 4.000 . 4.750 2.995 2.918 3.065 . 0 0 "[ . 1 . 2]" 1
688 1 59 SER H 1 60 THR H 3.000 . 3.500 2.673 2.635 2.696 . 0 0 "[ . 1 . 2]" 1
689 1 59 SER HA 1 60 THR H 4.000 . 4.750 3.519 3.514 3.529 . 0 0 "[ . 1 . 2]" 1
690 1 59 SER QB 1 60 THR H 2.500 . 2.800 2.705 2.607 2.801 0.001 9 0 "[ . 1 . 2]" 1
691 1 60 THR H 1 61 ILE H 2.500 . 2.800 2.633 2.589 2.674 . 0 0 "[ . 1 . 2]" 1
692 1 60 THR HA 1 61 ILE H 4.000 . 4.750 3.560 3.551 3.565 . 0 0 "[ . 1 . 2]" 1
693 1 60 THR HB 1 61 ILE H 3.000 . 3.500 2.412 2.324 2.522 . 0 0 "[ . 1 . 2]" 1
694 1 60 THR MG 1 61 ILE H 5.000 . 6.000 3.462 3.270 3.940 . 0 0 "[ . 1 . 2]" 1
695 1 60 THR MG 1 61 ILE HA 5.000 . 6.000 3.717 3.413 4.501 . 0 0 "[ . 1 . 2]" 1
696 1 61 ILE H 1 62 HIS H 3.000 . 3.500 2.789 2.764 2.831 . 0 0 "[ . 1 . 2]" 1
697 1 61 ILE HA 1 62 HIS H 4.000 . 4.750 3.553 3.549 3.559 . 0 0 "[ . 1 . 2]" 1
698 1 61 ILE HB 1 62 HIS H 3.000 . 3.500 2.374 2.340 2.445 . 0 0 "[ . 1 . 2]" 1
699 1 61 ILE MG 1 62 HIS H 4.000 . 4.750 3.637 3.592 3.704 . 0 0 "[ . 1 . 2]" 1
700 1 61 ILE MD 1 62 HIS H 4.000 . 4.750 4.414 4.383 4.450 . 0 0 "[ . 1 . 2]" 1
701 1 61 ILE QG 1 62 HIS H 3.000 . 3.500 3.529 3.526 3.535 0.035 5 0 "[ . 1 . 2]" 1
702 1 62 HIS H 1 63 SER H 3.000 . 3.500 2.665 2.629 2.707 . 0 0 "[ . 1 . 2]" 1
703 1 62 HIS HA 1 63 SER H 4.000 . 4.750 3.521 3.510 3.531 . 0 0 "[ . 1 . 2]" 1
704 1 62 HIS HB3 1 63 SER H 3.000 . 3.500 2.721 2.674 2.784 . 0 0 "[ . 1 . 2]" 1
705 1 62 HIS HB2 1 63 SER H 4.000 . 4.750 4.006 3.971 4.051 . 0 0 "[ . 1 . 2]" 1
706 1 63 SER H 1 64 GLN H 3.000 . 3.500 2.756 2.734 2.773 . 0 0 "[ . 1 . 2]" 1
707 1 63 SER HA 1 64 GLN H 4.000 . 4.750 3.552 3.543 3.561 . 0 0 "[ . 1 . 2]" 1
708 1 63 SER QB 1 64 GLN H 3.000 . 3.500 2.670 2.616 2.731 . 0 0 "[ . 1 . 2]" 1
709 1 63 SER QB 1 64 GLN HE22 5.000 . 6.000 2.070 1.945 2.475 . 0 0 "[ . 1 . 2]" 1
710 1 64 GLN H 1 65 GLU H 2.500 . 2.800 2.641 2.632 2.703 . 0 0 "[ . 1 . 2]" 1
711 1 64 GLN HA 1 65 GLU H 4.000 . 4.750 3.554 3.552 3.572 . 0 0 "[ . 1 . 2]" 1
712 1 64 GLN QB 1 65 GLU H 3.000 . 3.500 2.485 2.466 2.561 . 0 0 "[ . 1 . 2]" 1
713 1 65 GLU H 1 66 THR H 3.000 . 3.500 2.957 2.885 2.974 . 0 0 "[ . 1 . 2]" 1
714 1 65 GLU H 1 66 THR HA 5.000 . 6.000 5.464 5.425 5.479 . 0 0 "[ . 1 . 2]" 1
715 1 65 GLU H 1 66 THR MG 5.000 . 6.000 4.873 4.766 4.942 . 0 0 "[ . 1 . 2]" 1
716 1 65 GLU HA 1 66 THR H 4.000 . 4.750 3.569 3.565 3.572 . 0 0 "[ . 1 . 2]" 1
717 1 65 GLU QB 1 66 THR H 3.000 . 3.500 2.564 2.419 3.295 . 0 0 "[ . 1 . 2]" 1
718 1 65 GLU QB 1 66 THR MG 4.000 . 4.750 2.792 2.565 3.316 . 0 0 "[ . 1 . 2]" 1
719 1 65 GLU QG 1 66 THR H 4.000 . 4.750 4.142 1.902 4.398 . 0 0 "[ . 1 . 2]" 1
720 1 65 GLU QG 1 66 THR MG 5.000 . 6.000 4.443 1.950 4.738 . 0 0 "[ . 1 . 2]" 1
721 1 66 THR H 1 67 LYS H 2.500 . 2.800 2.452 2.420 2.508 . 0 0 "[ . 1 . 2]" 1
722 1 66 THR H 1 67 LYS HA 4.000 . 4.750 4.549 4.497 4.626 . 0 0 "[ . 1 . 2]" 1
723 1 66 THR HA 1 67 LYS H 3.000 . 3.500 3.154 3.088 3.189 . 0 0 "[ . 1 . 2]" 1
724 1 66 THR HB 1 67 LYS H 4.000 . 4.750 4.357 4.324 4.394 . 0 0 "[ . 1 . 2]" 1
725 1 66 THR HG1 1 67 LYS H 3.000 . 3.500 3.419 3.361 3.510 0.010 16 0 "[ . 1 . 2]" 1
726 1 66 THR MG 1 67 LYS H 5.000 . 6.000 4.336 4.314 4.356 . 0 0 "[ . 1 . 2]" 1
727 1 67 LYS H 1 68 HIS H 3.000 . 3.500 2.724 2.670 2.813 . 0 0 "[ . 1 . 2]" 1
728 1 67 LYS H 1 68 HIS HD2 5.000 . 6.000 5.006 4.906 5.127 . 0 0 "[ . 1 . 2]" 1
729 1 67 LYS HA 1 68 HIS H 3.000 . 3.500 3.028 3.006 3.035 . 0 0 "[ . 1 . 2]" 1
730 1 67 LYS QB 1 68 HIS H 5.000 . 6.000 3.769 3.698 4.040 . 0 0 "[ . 1 . 2]" 1
731 1 67 LYS QB 1 68 HIS HD2 5.000 . 6.000 3.781 3.503 4.661 . 0 0 "[ . 1 . 2]" 1
732 1 67 LYS QG 1 68 HIS H 5.000 . 6.000 4.365 3.544 4.642 . 0 0 "[ . 1 . 2]" 1
733 1 68 HIS H 1 69 TYR H 5.000 . 6.000 4.151 4.129 4.164 . 0 0 "[ . 1 . 2]" 1
734 1 68 HIS HA 1 69 TYR H 3.000 . 3.500 2.220 2.211 2.227 . 0 0 "[ . 1 . 2]" 1
735 1 68 HIS HA 1 69 TYR QD 5.000 . 6.000 4.507 3.962 4.597 . 0 0 "[ . 1 . 2]" 1
736 1 68 HIS HA 1 69 TYR QE 5.000 . 6.000 5.375 5.225 5.475 . 0 0 "[ . 1 . 2]" 1
737 1 68 HIS HB3 1 69 TYR H 4.000 . 4.750 3.931 3.925 3.940 . 0 0 "[ . 1 . 2]" 1
738 1 68 HIS HB2 1 69 TYR H 4.000 . 4.750 4.464 4.449 4.482 . 0 0 "[ . 1 . 2]" 1
739 1 68 HIS HD2 1 69 TYR H 4.000 . 4.750 4.506 4.459 4.551 . 0 0 "[ . 1 . 2]" 1
740 1 69 TYR H 1 70 LEU H 3.000 . 3.500 2.827 2.667 2.959 . 0 0 "[ . 1 . 2]" 1
741 1 69 TYR H 1 70 LEU HB2 5.000 . 6.000 4.468 4.241 4.574 . 0 0 "[ . 1 . 2]" 1
742 1 69 TYR H 1 70 LEU HG 5.000 . 6.000 5.469 5.295 5.953 . 0 0 "[ . 1 . 2]" 1
743 1 69 TYR H 1 70 LEU MD2 5.000 . 6.000 2.683 2.458 3.203 . 0 0 "[ . 1 . 2]" 1
744 1 69 TYR HA 1 70 LEU H 5.000 . 6.000 3.042 2.928 3.182 . 0 0 "[ . 1 . 2]" 1
745 1 69 TYR HB3 1 70 LEU H 5.000 . 6.000 4.504 4.406 4.532 . 0 0 "[ . 1 . 2]" 1
746 1 69 TYR HB2 1 70 LEU H 4.000 . 4.750 3.969 3.783 4.102 . 0 0 "[ . 1 . 2]" 1
747 1 69 TYR QD 1 70 LEU H 5.000 . 6.000 4.838 4.703 4.878 . 0 0 "[ . 1 . 2]" 1
748 1 69 TYR QD 1 70 LEU MD1 5.000 . 6.000 5.352 4.999 5.967 . 0 0 "[ . 1 . 2]" 1
749 1 69 TYR QD 1 70 LEU MD2 5.000 . 6.000 3.580 3.371 3.989 . 0 0 "[ . 1 . 2]" 1
750 1 70 LEU H 1 71 THR H 4.000 . 4.750 4.216 4.139 4.304 . 0 0 "[ . 1 . 2]" 1
751 1 70 LEU HA 1 71 THR H 2.500 . 2.800 2.129 2.118 2.137 . 0 0 "[ . 1 . 2]" 1
752 1 70 LEU HA 1 71 THR HB 5.000 . 6.000 4.640 4.557 4.701 . 0 0 "[ . 1 . 2]" 1
753 1 70 LEU HA 1 71 THR MG 4.000 . 4.750 3.765 3.604 3.909 . 0 0 "[ . 1 . 2]" 1
754 1 70 LEU HB3 1 71 THR H 3.000 . 3.500 3.511 3.503 3.526 0.026 3 0 "[ . 1 . 2]" 1
755 1 70 LEU HB2 1 71 THR H 4.000 . 4.750 4.379 4.340 4.442 . 0 0 "[ . 1 . 2]" 1
756 1 70 LEU MD1 1 71 THR H 5.000 . 6.000 3.359 2.885 3.591 . 0 0 "[ . 1 . 2]" 1
757 1 70 LEU MD2 1 71 THR H 5.000 . 6.000 4.590 4.297 4.732 . 0 0 "[ . 1 . 2]" 1
758 1 71 THR H 1 72 VAL H 4.000 . 4.750 4.327 4.272 4.392 . 0 0 "[ . 1 . 2]" 1
759 1 71 THR HA 1 72 VAL H 3.000 . 3.500 2.191 2.161 2.237 . 0 0 "[ . 1 . 2]" 1
760 1 71 THR HA 1 72 VAL HB 5.000 . 6.000 4.464 4.416 4.517 . 0 0 "[ . 1 . 2]" 1
761 1 71 THR HA 1 72 VAL MG1 5.000 . 6.000 3.761 3.671 3.833 . 0 0 "[ . 1 . 2]" 1
762 1 71 THR HB 1 72 VAL H 4.000 . 4.750 4.112 4.005 4.196 . 0 0 "[ . 1 . 2]" 1
763 1 71 THR MG 1 72 VAL H 5.000 . 6.000 3.944 3.780 4.051 . 0 0 "[ . 1 . 2]" 1
764 1 71 THR MG 1 72 VAL HA 5.000 . 6.000 4.023 3.808 4.204 . 0 0 "[ . 1 . 2]" 1
765 1 72 VAL H 1 73 ASN H 5.000 . 6.000 4.301 4.199 4.344 . 0 0 "[ . 1 . 2]" 1
766 1 72 VAL HA 1 73 ASN H 3.000 . 3.500 2.136 2.127 2.143 . 0 0 "[ . 1 . 2]" 1
767 1 72 VAL HA 1 73 ASN HA 4.000 . 4.750 4.379 4.368 4.403 . 0 0 "[ . 1 . 2]" 1
768 1 72 VAL HA 1 73 ASN HD21 4.000 . 4.750 4.229 3.749 4.543 . 0 0 "[ . 1 . 2]" 1
769 1 72 VAL HA 1 73 ASN HD22 4.000 . 4.750 4.598 4.326 4.759 0.009 8 0 "[ . 1 . 2]" 1
770 1 72 VAL HA 1 73 ASN QB 5.000 . 6.000 4.537 4.488 4.573 . 0 0 "[ . 1 . 2]" 1
771 1 72 VAL MG2 1 73 ASN H 4.000 . 4.750 2.635 2.460 2.840 . 0 0 "[ . 1 . 2]" 1
772 1 73 ASN HA 1 74 LEU H 3.000 . 3.500 2.141 2.137 2.152 . 0 0 "[ . 1 . 2]" 1
773 1 73 ASN QB 1 74 LEU H 5.000 . 6.000 3.280 3.208 3.327 . 0 0 "[ . 1 . 2]" 1
774 1 74 LEU HA 1 75 THR H 4.000 . 4.750 3.391 3.349 3.512 . 0 0 "[ . 1 . 2]" 1
775 1 75 THR H 1 76 THR H 4.000 . 4.750 2.464 2.404 2.638 . 0 0 "[ . 1 . 2]" 1
776 1 75 THR HA 1 76 THR H 3.000 . 3.500 3.509 3.482 3.538 0.038 11 0 "[ . 1 . 2]" 1
777 1 75 THR MG 1 76 THR H 5.000 . 6.000 4.057 3.813 4.340 . 0 0 "[ . 1 . 2]" 1
778 1 75 THR MG 1 76 THR HA 5.000 . 6.000 4.541 4.053 5.175 . 0 0 "[ . 1 . 2]" 1
779 1 76 THR H 1 77 LEU H 3.000 . 3.500 2.020 1.972 2.099 . 0 0 "[ . 1 . 2]" 1
780 1 76 THR HA 1 77 LEU H 4.000 . 4.750 3.331 3.238 3.399 . 0 0 "[ . 1 . 2]" 1
781 1 76 THR HB 1 77 LEU H 4.000 . 4.750 3.622 3.451 4.040 . 0 0 "[ . 1 . 2]" 1
782 1 76 THR HG1 1 77 LEU H 5.000 . 6.000 4.148 3.396 4.993 . 0 0 "[ . 1 . 2]" 1
783 1 76 THR MG 1 77 LEU H 5.000 . 6.000 4.403 4.330 4.484 . 0 0 "[ . 1 . 2]" 1
784 1 77 LEU H 1 78 ARG H 3.000 . 3.500 2.671 2.630 2.763 . 0 0 "[ . 1 . 2]" 1
785 1 77 LEU HA 1 78 ARG H 3.000 . 3.500 2.881 2.770 2.951 . 0 0 "[ . 1 . 2]" 1
786 1 77 LEU HB2 1 78 ARG H 5.000 . 6.000 4.197 4.104 4.339 . 0 0 "[ . 1 . 2]" 1
787 1 77 LEU HG 1 78 ARG H 5.000 . 6.000 5.125 4.975 5.195 . 0 0 "[ . 1 . 2]" 1
788 1 77 LEU MD2 1 78 ARG H 5.000 . 6.000 4.470 4.323 4.561 . 0 0 "[ . 1 . 2]" 1
789 1 78 ARG H 1 79 VAL H 5.000 . 6.000 4.491 4.446 4.534 . 0 0 "[ . 1 . 2]" 1
790 1 78 ARG HA 1 79 VAL H 3.000 . 3.500 2.255 2.186 2.362 . 0 0 "[ . 1 . 2]" 1
791 1 78 ARG HA 1 79 VAL MG2 5.000 . 6.000 3.329 3.201 3.533 . 0 0 "[ . 1 . 2]" 1
792 1 78 ARG QB 1 79 VAL H 3.000 . 3.500 2.817 2.507 3.129 . 0 0 "[ . 1 . 2]" 1
793 1 79 VAL H 1 80 TRP H 4.000 . 4.750 4.552 4.517 4.581 . 0 0 "[ . 1 . 2]" 1
794 1 79 VAL HA 1 80 TRP H 3.000 . 3.500 2.278 2.257 2.285 . 0 0 "[ . 1 . 2]" 1
795 1 79 VAL HA 1 80 TRP HB3 5.000 . 6.000 4.495 4.421 4.531 . 0 0 "[ . 1 . 2]" 1
796 1 79 VAL HA 1 80 TRP HB2 5.000 . 6.000 4.409 4.381 4.449 . 0 0 "[ . 1 . 2]" 1
797 1 79 VAL HB 1 80 TRP H 5.000 . 6.000 3.734 3.663 3.769 . 0 0 "[ . 1 . 2]" 1
798 1 79 VAL MG1 1 80 TRP H 4.000 . 4.750 2.067 1.950 2.152 . 0 0 "[ . 1 . 2]" 1
799 1 79 VAL MG1 1 80 TRP HA 5.000 . 6.000 3.625 3.547 3.756 . 0 0 "[ . 1 . 2]" 1
800 1 79 VAL MG2 1 80 TRP H 5.000 . 6.000 3.968 3.947 4.043 . 0 0 "[ . 1 . 2]" 1
801 1 80 TRP H 1 81 CYS H 5.000 . 6.000 4.391 4.372 4.420 . 0 0 "[ . 1 . 2]" 1
802 1 80 TRP HA 1 81 CYS H 3.000 . 3.500 2.199 2.183 2.224 . 0 0 "[ . 1 . 2]" 1
803 1 80 TRP HA 1 81 CYS HB3 5.000 . 6.000 4.707 4.657 4.783 . 0 0 "[ . 1 . 2]" 1
804 1 80 TRP HA 1 81 CYS HB2 5.000 . 6.000 4.286 4.247 4.315 . 0 0 "[ . 1 . 2]" 1
805 1 80 TRP HB3 1 81 CYS H 4.000 . 4.750 4.007 3.936 4.066 . 0 0 "[ . 1 . 2]" 1
806 1 80 TRP HB2 1 81 CYS H 4.000 . 4.750 4.033 3.978 4.070 . 0 0 "[ . 1 . 2]" 1
807 1 80 TRP HD1 1 81 CYS H 5.000 . 6.000 3.907 3.588 4.167 . 0 0 "[ . 1 . 2]" 1
808 1 81 CYS H 1 82 TYR H 5.000 . 6.000 4.204 4.154 4.229 . 0 0 "[ . 1 . 2]" 1
809 1 81 CYS HA 1 82 TYR H 3.000 . 3.500 2.159 2.150 2.166 . 0 0 "[ . 1 . 2]" 1
810 1 81 CYS HA 1 82 TYR HB3 5.000 . 6.000 5.675 5.634 5.699 . 0 0 "[ . 1 . 2]" 1
811 1 81 CYS HA 1 82 TYR HB2 5.000 . 6.000 4.400 4.324 4.452 . 0 0 "[ . 1 . 2]" 1
812 1 81 CYS HB3 1 82 TYR H 5.000 . 6.000 4.281 4.252 4.302 . 0 0 "[ . 1 . 2]" 1
813 1 81 CYS HB2 1 82 TYR H 4.000 . 4.750 4.478 4.448 4.501 . 0 0 "[ . 1 . 2]" 1
814 1 82 TYR H 1 83 ALA H 3.000 . 3.500 2.631 2.613 2.642 . 0 0 "[ . 1 . 2]" 1
815 1 82 TYR H 1 83 ALA HA 5.000 . 6.000 5.237 5.222 5.246 . 0 0 "[ . 1 . 2]" 1
816 1 82 TYR H 1 83 ALA MB 5.000 . 6.000 4.288 4.273 4.298 . 0 0 "[ . 1 . 2]" 1
817 1 82 TYR HA 1 83 ALA H 4.000 . 4.750 3.543 3.535 3.547 . 0 0 "[ . 1 . 2]" 1
818 1 82 TYR HB3 1 83 ALA H 4.000 . 4.750 3.428 3.322 3.537 . 0 0 "[ . 1 . 2]" 1
819 1 82 TYR HB3 1 83 ALA MB 5.000 . 6.000 4.600 4.464 4.696 . 0 0 "[ . 1 . 2]" 1
820 1 82 TYR HB2 1 83 ALA H 4.000 . 4.750 2.737 2.692 2.790 . 0 0 "[ . 1 . 2]" 1
821 1 82 TYR HB2 1 83 ALA MB 5.000 . 6.000 4.198 4.152 4.266 . 0 0 "[ . 1 . 2]" 1
822 1 82 TYR QD 1 83 ALA H 4.000 . 4.750 4.492 4.389 4.567 . 0 0 "[ . 1 . 2]" 1
823 1 83 ALA H 1 84 CYS H 2.500 . 2.800 2.804 2.790 2.811 0.011 12 0 "[ . 1 . 2]" 1
824 1 83 ALA HA 1 84 CYS H 4.000 . 4.750 3.557 3.553 3.562 . 0 0 "[ . 1 . 2]" 1
825 1 83 ALA MB 1 84 CYS H 4.000 . 4.750 2.332 2.312 2.353 . 0 0 "[ . 1 . 2]" 1
826 1 84 CYS H 1 85 SER H 3.000 . 3.500 2.500 2.479 2.514 . 0 0 "[ . 1 . 2]" 1
827 1 84 CYS H 1 85 SER HA 4.000 . 4.750 4.752 4.730 4.760 0.010 10 0 "[ . 1 . 2]" 1
828 1 84 CYS H 1 85 SER QB 5.000 . 6.000 5.125 4.775 5.423 . 0 0 "[ . 1 . 2]" 1
829 1 84 CYS HA 1 85 SER H 4.000 . 4.750 3.481 3.478 3.483 . 0 0 "[ . 1 . 2]" 1
830 1 84 CYS HB3 1 85 SER H 4.000 . 4.750 3.592 3.565 3.613 . 0 0 "[ . 1 . 2]" 1
831 1 84 CYS HB2 1 85 SER H 4.000 . 4.750 2.997 2.983 3.014 . 0 0 "[ . 1 . 2]" 1
832 1 85 SER H 1 86 LYS H 3.000 . 3.500 2.574 2.510 2.643 . 0 0 "[ . 1 . 2]" 1
833 1 85 SER HA 1 86 LYS H 3.000 . 3.500 2.647 2.606 2.702 . 0 0 "[ . 1 . 2]" 1
834 1 85 SER QB 1 86 LYS H 5.000 . 6.000 3.958 3.919 4.074 . 0 0 "[ . 1 . 2]" 1
835 1 86 LYS H 1 87 GLU H 5.000 . 6.000 4.361 4.332 4.368 . 0 0 "[ . 1 . 2]" 1
836 1 86 LYS HA 1 87 GLU H 3.000 . 3.500 2.534 2.408 2.616 . 0 0 "[ . 1 . 2]" 1
837 1 86 LYS QB 1 87 GLU H 3.000 . 3.500 2.126 1.976 2.380 . 0 0 "[ . 1 . 2]" 1
838 1 86 LYS QG 1 87 GLU H 4.000 . 4.750 3.827 3.226 4.231 . 0 0 "[ . 1 . 2]" 1
839 1 87 GLU HA 1 88 VAL H 3.000 . 3.500 2.219 2.170 2.272 . 0 0 "[ . 1 . 2]" 1
840 1 87 GLU HA 1 88 VAL MG2 5.000 . 6.000 3.485 3.347 3.677 . 0 0 "[ . 1 . 2]" 1
841 1 87 GLU QB 1 88 VAL H 4.000 . 4.750 3.144 2.747 3.638 . 0 0 "[ . 1 . 2]" 1
842 1 87 GLU QG 1 88 VAL H 4.000 . 4.750 3.349 2.121 4.374 . 0 0 "[ . 1 . 2]" 1
843 1 88 VAL HA 1 89 PHE H 3.000 . 3.500 2.460 2.358 2.599 . 0 0 "[ . 1 . 2]" 1
844 1 88 VAL HA 1 89 PHE QD 3.000 . 3.500 3.110 2.932 3.347 . 0 0 "[ . 1 . 2]" 1
845 1 88 VAL HB 1 89 PHE H 3.000 . 3.500 2.257 1.978 2.487 . 0 0 "[ . 1 . 2]" 1
846 1 88 VAL HB 1 89 PHE QD 4.000 . 4.750 4.270 3.825 4.647 . 0 0 "[ . 1 . 2]" 1
847 1 88 VAL MG1 1 89 PHE H 4.000 . 4.750 3.458 3.349 3.598 . 0 0 "[ . 1 . 2]" 1
848 1 88 VAL MG1 1 89 PHE QD 5.000 . 6.000 4.414 4.110 4.822 . 0 0 "[ . 1 . 2]" 1
849 1 88 VAL MG2 1 89 PHE H 4.000 . 4.750 3.496 3.218 3.696 . 0 0 "[ . 1 . 2]" 1
850 1 88 VAL MG2 1 89 PHE QD 5.000 . 6.000 5.041 4.824 5.287 . 0 0 "[ . 1 . 2]" 1
851 1 89 PHE H 1 90 LEU H 4.000 . 4.750 4.412 4.276 4.492 . 0 0 "[ . 1 . 2]" 1
852 1 89 PHE HA 1 90 LEU H 3.000 . 3.500 2.214 2.142 2.363 . 0 0 "[ . 1 . 2]" 1
853 1 89 PHE HA 1 90 LEU QB 4.000 . 4.750 4.106 3.909 4.559 . 0 0 "[ . 1 . 2]" 1
854 1 89 PHE HB3 1 90 LEU H 4.000 . 4.750 4.027 3.793 4.251 . 0 0 "[ . 1 . 2]" 1
855 1 89 PHE HB2 1 90 LEU H 4.000 . 4.750 3.025 2.533 3.423 . 0 0 "[ . 1 . 2]" 1
856 1 89 PHE QD 1 90 LEU H 5.000 . 6.000 4.153 3.689 4.487 . 0 0 "[ . 1 . 2]" 1
857 1 90 LEU H 1 91 ASP H 4.000 . 4.750 4.549 4.325 4.632 . 0 0 "[ . 1 . 2]" 1
858 1 90 LEU HA 1 91 ASP H 3.000 . 3.500 2.260 2.140 2.380 . 0 0 "[ . 1 . 2]" 1
859 1 90 LEU MD1 1 91 ASP H 5.000 . 6.000 2.983 1.945 4.755 . 0 0 "[ . 1 . 2]" 1
860 1 90 LEU MD2 1 91 ASP H 5.000 . 6.000 3.494 1.963 4.730 . 0 0 "[ . 1 . 2]" 1
861 1 90 LEU QB 1 91 ASP H 3.000 . 3.500 3.095 2.441 3.503 0.003 19 0 "[ . 1 . 2]" 1
862 1 91 ASP H 1 92 ARG H 4.000 . 4.750 4.319 2.658 4.636 . 0 0 "[ . 1 . 2]" 1
863 1 91 ASP HA 1 92 ARG H 4.000 . 4.750 2.328 2.138 3.553 . 0 0 "[ . 1 . 2]" 1
864 1 91 ASP QB 1 92 ARG H 3.000 . 3.500 2.993 2.321 3.434 . 0 0 "[ . 1 . 2]" 1
865 1 92 ARG H 1 93 LYS H 3.000 . 3.500 2.253 1.992 2.666 . 0 0 "[ . 1 . 2]" 1
866 1 92 ARG HA 1 93 LYS H 3.000 . 3.500 3.496 3.466 3.524 0.024 4 0 "[ . 1 . 2]" 1
867 1 92 ARG QB 1 93 LYS H 3.000 . 3.500 2.804 2.627 2.995 . 0 0 "[ . 1 . 2]" 1
868 1 92 ARG QG 1 93 LYS H 4.000 . 4.750 4.331 3.837 4.644 . 0 0 "[ . 1 . 2]" 1
869 1 93 LYS HA 1 94 LEU H 3.000 . 3.500 2.408 2.139 3.535 0.035 4 0 "[ . 1 . 2]" 1
870 1 94 LEU HA 1 95 GLY H 3.000 . 3.500 2.661 2.232 3.554 0.054 4 0 "[ . 1 . 2]" 1
871 1 95 GLY H 1 96 THR H 3.000 . 3.500 2.660 1.995 3.361 . 0 0 "[ . 1 . 2]" 1
872 1 95 GLY QA 1 96 THR H 3.000 . 3.500 2.597 2.247 2.805 . 0 0 "[ . 1 . 2]" 1
873 1 96 THR H 1 97 GLN H 2.500 . 2.800 2.289 1.978 2.805 0.005 10 0 "[ . 1 . 2]" 1
874 1 96 THR HA 1 97 GLN H 3.000 . 3.500 3.519 3.491 3.551 0.051 8 0 "[ . 1 . 2]" 1
875 1 96 THR HB 1 97 GLN H 3.000 . 3.500 2.892 1.985 3.552 0.052 18 0 "[ . 1 . 2]" 1
876 1 96 THR MG 1 97 GLN H 4.000 . 4.750 3.800 1.903 4.244 . 0 0 "[ . 1 . 2]" 1
877 1 6 CYS HA 1 8 HIS H 5.000 . 6.000 4.263 3.986 4.332 . 0 0 "[ . 1 . 2]" 1
878 1 6 CYS HA 1 8 HIS HE1 5.000 . 6.000 5.520 5.383 5.727 . 0 0 "[ . 1 . 2]" 1
879 1 6 CYS HB3 1 8 HIS H 5.000 . 6.000 4.965 4.555 5.071 . 0 0 "[ . 1 . 2]" 1
880 1 7 PRO HA 1 9 LEU H 5.000 . 6.000 4.707 4.678 4.823 . 0 0 "[ . 1 . 2]" 1
881 1 7 PRO QD 1 9 LEU H 5.000 . 6.000 4.629 4.597 4.705 . 0 0 "[ . 1 . 2]" 1
882 1 8 HIS H 1 10 ASP H 5.000 . 6.000 4.037 3.961 4.127 . 0 0 "[ . 1 . 2]" 1
883 1 8 HIS HA 1 10 ASP H 4.000 . 4.750 4.593 4.491 4.768 0.018 16 0 "[ . 1 . 2]" 1
884 1 9 LEU H 1 11 SER H 5.000 . 6.000 4.025 3.969 4.092 . 0 0 "[ . 1 . 2]" 1
885 1 9 LEU HA 1 11 SER H 4.000 . 4.750 3.694 3.626 3.752 . 0 0 "[ . 1 . 2]" 1
886 1 9 LEU HG 1 11 SER H 5.000 . 6.000 4.669 4.569 4.750 . 0 0 "[ . 1 . 2]" 1
887 1 10 ASP H 1 12 VAL H 4.000 . 4.750 4.445 4.381 4.489 . 0 0 "[ . 1 . 2]" 1
888 1 10 ASP HA 1 12 VAL H 4.000 . 4.750 4.655 4.579 4.749 . 0 0 "[ . 1 . 2]" 1
889 1 10 ASP HA 1 12 VAL MG2 5.000 . 6.000 4.473 4.244 4.606 . 0 0 "[ . 1 . 2]" 1
890 1 14 GLU QG 1 16 THR MG 5.000 . 6.000 5.596 4.608 5.998 . 0 0 "[ . 1 . 2]" 1
891 1 15 ILE MG 1 17 LYS H 5.000 . 6.000 5.083 4.920 5.280 . 0 0 "[ . 1 . 2]" 1
892 1 16 THR HA 1 18 GLU H 4.000 . 4.750 4.281 4.131 4.503 . 0 0 "[ . 1 . 2]" 1
893 1 16 THR HB 1 18 GLU H 4.000 . 4.750 2.791 2.497 3.200 . 0 0 "[ . 1 . 2]" 1
894 1 16 THR HB 1 18 GLU QB 4.000 . 4.750 3.496 3.058 4.036 . 0 0 "[ . 1 . 2]" 1
895 1 16 THR MG 1 18 GLU H 4.000 . 4.750 4.314 4.142 4.608 . 0 0 "[ . 1 . 2]" 1
896 1 17 LYS H 1 19 ASP H 5.000 . 6.000 4.272 4.012 4.487 . 0 0 "[ . 1 . 2]" 1
897 1 17 LYS HA 1 19 ASP H 4.000 . 4.750 4.274 4.083 4.461 . 0 0 "[ . 1 . 2]" 1
898 1 18 GLU H 1 20 LEU H 5.000 . 6.000 4.217 3.965 4.491 . 0 0 "[ . 1 . 2]" 1
899 1 18 GLU HA 1 20 LEU H 4.000 . 4.750 4.633 4.412 4.760 0.010 19 0 "[ . 1 . 2]" 1
900 1 19 ASP H 1 21 ILE H 4.000 . 4.750 3.904 3.829 3.978 . 0 0 "[ . 1 . 2]" 1
901 1 19 ASP HA 1 21 ILE H 5.000 . 6.000 4.238 4.117 4.303 . 0 0 "[ . 1 . 2]" 1
902 1 20 LEU H 1 22 GLN H 4.000 . 4.750 4.427 4.353 4.494 . 0 0 "[ . 1 . 2]" 1
903 1 23 LYS H 1 25 LEU H 4.000 . 4.750 3.956 3.926 4.007 . 0 0 "[ . 1 . 2]" 1
904 1 36 PRO HA 1 38 LEU H 5.000 . 6.000 4.842 4.103 5.514 . 0 0 "[ . 1 . 2]" 1
905 1 36 PRO HA 1 38 LEU MD1 5.000 . 6.000 4.468 3.830 5.313 . 0 0 "[ . 1 . 2]" 1
906 1 37 ASN QB 1 39 TRP HE1 5.000 . 6.000 4.050 2.715 5.034 . 0 0 "[ . 1 . 2]" 1
907 1 41 CYS HB3 1 43 GLU H 4.000 . 4.750 3.779 3.646 3.932 . 0 0 "[ . 1 . 2]" 1
908 1 43 GLU HA 1 45 ARG H 4.000 . 4.750 3.967 3.687 4.270 . 0 0 "[ . 1 . 2]" 1
909 1 44 ASN H 1 46 CYS H 4.000 . 4.750 3.891 3.735 4.056 . 0 0 "[ . 1 . 2]" 1
910 1 46 CYS H 1 48 TYR H 5.000 . 6.000 5.830 5.569 6.005 0.005 2 0 "[ . 1 . 2]" 1
911 1 46 CYS HB3 1 48 TYR H 5.000 . 6.000 3.781 3.503 4.048 . 0 0 "[ . 1 . 2]" 1
912 1 46 CYS HB2 1 48 TYR H 5.000 . 6.000 5.170 4.815 5.527 . 0 0 "[ . 1 . 2]" 1
913 1 53 GLU HA 1 55 GLN H 5.000 . 6.000 3.497 3.423 3.549 . 0 0 "[ . 1 . 2]" 1
914 1 56 VAL HB 1 58 HIS H 4.000 . 4.750 3.160 2.985 3.379 . 0 0 "[ . 1 . 2]" 1
915 1 56 VAL HB 1 58 HIS HE1 4.000 . 4.750 4.036 3.845 4.266 . 0 0 "[ . 1 . 2]" 1
916 1 56 VAL QG 1 58 HIS H 5.000 . 6.000 3.709 3.557 3.901 . 0 0 "[ . 1 . 2]" 1
917 1 56 VAL QG 1 58 HIS HA 5.000 . 6.000 3.928 3.741 4.173 . 0 0 "[ . 1 . 2]" 1
918 1 56 VAL QG 1 58 HIS HD2 5.000 . 6.000 3.613 3.069 4.178 . 0 0 "[ . 1 . 2]" 1
919 1 56 VAL QG 1 58 HIS HE1 3.000 . 3.500 3.486 3.181 3.509 0.009 18 0 "[ . 1 . 2]" 1
920 1 57 ASP H 1 59 SER H 5.000 . 6.000 4.725 4.660 4.776 . 0 0 "[ . 1 . 2]" 1
921 1 57 ASP HA 1 59 SER H 4.000 . 4.750 3.417 3.329 3.565 . 0 0 "[ . 1 . 2]" 1
922 1 57 ASP QB 1 59 SER H 5.000 . 6.000 4.745 4.555 4.863 . 0 0 "[ . 1 . 2]" 1
923 1 58 HIS H 1 60 THR H 5.000 . 6.000 4.225 4.174 4.301 . 0 0 "[ . 1 . 2]" 1
924 1 58 HIS HA 1 60 THR H 4.000 . 4.750 4.147 4.119 4.201 . 0 0 "[ . 1 . 2]" 1
925 1 59 SER H 1 61 ILE HB 5.000 . 6.000 5.699 5.560 5.820 . 0 0 "[ . 1 . 2]" 1
926 1 60 THR HA 1 62 HIS H 4.000 . 4.750 4.665 4.575 4.718 . 0 0 "[ . 1 . 2]" 1
927 1 61 ILE HA 1 63 SER H 4.000 . 4.750 4.297 4.249 4.333 . 0 0 "[ . 1 . 2]" 1
928 1 61 ILE HB 1 63 SER H 5.000 . 6.000 4.777 4.715 4.840 . 0 0 "[ . 1 . 2]" 1
929 1 62 HIS H 1 64 GLN H 4.000 . 4.750 4.294 4.242 4.360 . 0 0 "[ . 1 . 2]" 1
930 1 63 SER H 1 65 GLU H 4.000 . 4.750 4.316 4.292 4.417 . 0 0 "[ . 1 . 2]" 1
931 1 63 SER H 1 65 GLU QB 5.000 . 6.000 4.925 4.797 5.888 . 0 0 "[ . 1 . 2]" 1
932 1 64 GLN H 1 66 THR H 4.000 . 4.750 4.322 4.303 4.343 . 0 0 "[ . 1 . 2]" 1
933 1 66 THR HB 1 68 HIS H 4.000 . 4.750 3.868 3.780 3.902 . 0 0 "[ . 1 . 2]" 1
934 1 66 THR HB 1 68 HIS HD2 3.000 . 3.500 3.509 3.506 3.513 0.013 16 0 "[ . 1 . 2]" 1
935 1 66 THR HB 1 68 HIS HE1 3.000 . 3.500 2.958 2.849 3.086 . 0 0 "[ . 1 . 2]" 1
936 1 66 THR HG1 1 68 HIS HD2 3.000 . 3.500 3.510 3.505 3.513 0.013 5 0 "[ . 1 . 2]" 1
937 1 66 THR MG 1 68 HIS H 5.000 . 6.000 4.534 4.490 4.561 . 0 0 "[ . 1 . 2]" 1
938 1 66 THR MG 1 68 HIS HD2 5.000 . 6.000 4.942 4.934 4.956 . 0 0 "[ . 1 . 2]" 1
939 1 66 THR MG 1 68 HIS HE1 5.000 . 6.000 3.156 3.014 3.422 . 0 0 "[ . 1 . 2]" 1
940 1 67 LYS H 1 69 TYR QE 5.000 . 6.000 5.157 5.024 5.481 . 0 0 "[ . 1 . 2]" 1
941 1 67 LYS HA 1 69 TYR QE 3.000 . 3.500 3.411 3.199 3.508 0.008 5 0 "[ . 1 . 2]" 1
942 1 67 LYS QB 1 69 TYR QD 5.000 . 6.000 4.557 4.152 4.763 . 0 0 "[ . 1 . 2]" 1
943 1 67 LYS QB 1 69 TYR QE 3.000 . 3.500 3.371 3.062 3.503 0.003 5 0 "[ . 1 . 2]" 1
944 1 67 LYS QG 1 69 TYR QE 4.000 . 4.750 4.354 3.744 4.756 0.006 12 0 "[ . 1 . 2]" 1
945 1 67 LYS QD 1 69 TYR QD 5.000 . 6.000 4.839 3.865 5.243 . 0 0 "[ . 1 . 2]" 1
946 1 67 LYS QD 1 69 TYR QE 3.000 . 3.500 3.176 2.289 3.500 . 0 0 "[ . 1 . 2]" 1
947 1 68 HIS HA 1 70 LEU H 5.000 . 6.000 3.433 3.307 3.556 . 0 0 "[ . 1 . 2]" 1
948 1 72 VAL MG1 1 74 LEU HA 5.000 . 6.000 4.327 4.163 4.491 . 0 0 "[ . 1 . 2]" 1
949 1 72 VAL MG1 1 74 LEU MD1 5.000 . 6.000 4.462 4.229 4.697 . 0 0 "[ . 1 . 2]" 1
950 1 72 VAL MG1 1 74 LEU MD2 3.000 . 3.500 3.469 3.253 3.513 0.013 4 0 "[ . 1 . 2]" 1
951 1 75 THR H 1 77 LEU H 5.000 . 6.000 3.514 3.399 3.787 . 0 0 "[ . 1 . 2]" 1
952 1 76 THR HA 1 78 ARG QD 5.000 . 6.000 5.223 4.047 6.003 0.003 6 0 "[ . 1 . 2]" 1
953 1 76 THR HB 1 78 ARG H 4.000 . 4.750 3.064 2.753 3.918 . 0 0 "[ . 1 . 2]" 1
954 1 76 THR HB 1 78 ARG QD 4.000 . 4.750 3.383 2.047 4.224 . 0 0 "[ . 1 . 2]" 1
955 1 76 THR HG1 1 78 ARG H 4.000 . 4.750 3.977 2.879 4.709 . 0 0 "[ . 1 . 2]" 1
956 1 76 THR HG1 1 78 ARG QB 4.000 . 4.750 3.767 2.268 4.602 . 0 0 "[ . 1 . 2]" 1
957 1 76 THR HG1 1 78 ARG QG 4.000 . 4.750 4.054 2.338 4.754 0.004 9 0 "[ . 1 . 2]" 1
958 1 76 THR HG1 1 78 ARG QD 5.000 . 6.000 4.737 2.768 5.838 . 0 0 "[ . 1 . 2]" 1
959 1 76 THR MG 1 78 ARG H 5.000 . 6.000 4.459 4.228 5.046 . 0 0 "[ . 1 . 2]" 1
960 1 77 LEU HA 1 79 VAL MG2 5.000 . 6.000 5.137 4.914 5.301 . 0 0 "[ . 1 . 2]" 1
961 1 80 TRP HD1 1 82 TYR HA 5.000 . 6.000 3.631 3.410 3.883 . 0 0 "[ . 1 . 2]" 1
962 1 80 TRP HD1 1 82 TYR QD 4.000 . 4.750 3.460 3.118 3.637 . 0 0 "[ . 1 . 2]" 1
963 1 80 TRP HD1 1 82 TYR QE 4.000 . 4.750 3.508 3.268 3.883 . 0 0 "[ . 1 . 2]" 1
964 1 80 TRP HE1 1 82 TYR H 5.000 . 6.000 4.429 4.277 4.556 . 0 0 "[ . 1 . 2]" 1
965 1 80 TRP HE1 1 82 TYR HA 3.000 . 3.500 2.586 2.371 2.795 . 0 0 "[ . 1 . 2]" 1
966 1 80 TRP HE1 1 82 TYR HB3 5.000 . 6.000 4.656 4.464 4.775 . 0 0 "[ . 1 . 2]" 1
967 1 80 TRP HE1 1 82 TYR HB2 5.000 . 6.000 5.002 4.862 5.181 . 0 0 "[ . 1 . 2]" 1
968 1 80 TRP HE1 1 82 TYR QD 3.000 . 3.500 2.530 2.091 2.755 . 0 0 "[ . 1 . 2]" 1
969 1 80 TRP HE1 1 82 TYR QE 4.000 . 4.750 3.201 2.668 3.430 . 0 0 "[ . 1 . 2]" 1
970 1 80 TRP HZ2 1 82 TYR HA 4.000 . 4.750 4.558 4.333 4.756 0.006 8 0 "[ . 1 . 2]" 1
971 1 80 TRP HZ2 1 82 TYR QD 4.000 . 4.750 4.699 4.337 4.757 0.007 12 0 "[ . 1 . 2]" 1
972 1 81 CYS H 1 83 ALA H 5.000 . 6.000 5.888 5.822 5.913 . 0 0 "[ . 1 . 2]" 1
973 1 81 CYS HA 1 83 ALA H 5.000 . 6.000 3.872 3.799 3.911 . 0 0 "[ . 1 . 2]" 1
974 1 81 CYS HA 1 83 ALA MB 5.000 . 6.000 4.796 4.730 4.835 . 0 0 "[ . 1 . 2]" 1
975 1 82 TYR H 1 84 CYS H 4.000 . 4.750 4.394 4.374 4.412 . 0 0 "[ . 1 . 2]" 1
976 1 82 TYR HA 1 84 CYS H 5.000 . 6.000 4.728 4.694 4.789 . 0 0 "[ . 1 . 2]" 1
977 1 82 TYR HB2 1 84 CYS H 5.000 . 6.000 5.351 5.313 5.387 . 0 0 "[ . 1 . 2]" 1
978 1 83 ALA HA 1 85 SER H 5.000 . 6.000 4.281 4.261 4.303 . 0 0 "[ . 1 . 2]" 1
979 1 84 CYS H 1 86 LYS H 5.000 . 6.000 4.478 4.375 4.568 . 0 0 "[ . 1 . 2]" 1
980 1 84 CYS HB3 1 86 LYS H 4.000 . 4.750 3.987 3.823 4.121 . 0 0 "[ . 1 . 2]" 1
981 1 84 CYS HB3 1 86 LYS QD 5.000 . 6.000 2.564 1.904 3.311 . 0 0 "[ . 1 . 2]" 1
982 1 84 CYS HB2 1 86 LYS H 5.000 . 6.000 3.714 3.559 3.805 . 0 0 "[ . 1 . 2]" 1
983 1 84 CYS HB2 1 86 LYS QG 3.000 . 3.500 2.944 2.754 3.082 . 0 0 "[ . 1 . 2]" 1
984 1 84 CYS HB2 1 86 LYS QD 3.000 . 3.500 3.274 2.757 3.514 0.014 18 0 "[ . 1 . 2]" 1
985 1 88 VAL MG2 1 90 LEU H 5.000 . 6.000 4.908 4.574 5.229 . 0 0 "[ . 1 . 2]" 1
986 1 90 LEU MD1 1 92 ARG HA 5.000 . 6.000 5.065 3.269 6.001 0.001 7 0 "[ . 1 . 2]" 1
987 1 6 CYS HB3 1 9 LEU H 4.000 . 4.750 3.970 3.875 4.027 . 0 0 "[ . 1 . 2]" 1
988 1 6 CYS HB3 1 9 LEU HG 3.000 . 3.500 2.784 2.692 2.936 . 0 0 "[ . 1 . 2]" 1
989 1 6 CYS HB3 1 9 LEU MD1 4.000 . 4.750 3.404 3.269 3.628 . 0 0 "[ . 1 . 2]" 1
990 1 6 CYS HB3 1 9 LEU MD2 4.000 . 4.750 1.883 1.852 1.905 . 0 0 "[ . 1 . 2]" 1
991 1 6 CYS HB2 1 9 LEU HG 4.000 . 4.750 4.150 4.064 4.281 . 0 0 "[ . 1 . 2]" 1
992 1 6 CYS HB2 1 9 LEU MD1 5.000 . 6.000 4.846 4.710 5.054 . 0 0 "[ . 1 . 2]" 1
993 1 7 PRO HA 1 10 ASP QB 3.000 . 3.500 2.091 1.948 3.506 0.006 16 0 "[ . 1 . 2]" 1
994 1 8 HIS HA 1 11 SER H 5.000 . 6.000 4.047 3.965 4.187 . 0 0 "[ . 1 . 2]" 1
995 1 9 LEU HA 1 12 VAL H 4.000 . 4.750 3.199 3.119 3.271 . 0 0 "[ . 1 . 2]" 1
996 1 9 LEU HA 1 12 VAL HB 5.000 . 6.000 4.733 4.616 4.822 . 0 0 "[ . 1 . 2]" 1
997 1 9 LEU HA 1 12 VAL MG1 5.000 . 6.000 3.265 2.574 3.507 . 0 0 "[ . 1 . 2]" 1
998 1 9 LEU HA 1 12 VAL MG2 4.000 . 4.750 1.874 1.838 1.929 . 0 0 "[ . 1 . 2]" 1
999 1 16 THR H 1 19 ASP H 4.000 . 4.750 4.015 3.923 4.107 . 0 0 "[ . 1 . 2]" 1
1000 1 16 THR H 1 19 ASP HB3 4.000 . 4.750 4.226 3.733 4.703 . 0 0 "[ . 1 . 2]" 1
1001 1 16 THR H 1 19 ASP HB2 3.000 . 3.500 2.881 2.542 3.149 . 0 0 "[ . 1 . 2]" 1
1002 1 16 THR HA 1 19 ASP H 5.000 . 6.000 4.712 4.543 4.895 . 0 0 "[ . 1 . 2]" 1
1003 1 16 THR HB 1 19 ASP H 5.000 . 6.000 3.682 3.227 4.092 . 0 0 "[ . 1 . 2]" 1
1004 1 16 THR MG 1 19 ASP H 5.000 . 6.000 4.396 4.191 4.540 . 0 0 "[ . 1 . 2]" 1
1005 1 16 THR MG 1 19 ASP HB3 5.000 . 6.000 5.616 4.950 5.992 . 0 0 "[ . 1 . 2]" 1
1006 1 16 THR MG 1 19 ASP HB2 5.000 . 6.000 4.289 3.771 4.605 . 0 0 "[ . 1 . 2]" 1
1007 1 17 LYS H 1 20 LEU MD1 5.000 . 6.000 4.874 4.256 5.179 . 0 0 "[ . 1 . 2]" 1
1008 1 17 LYS HA 1 20 LEU H 3.000 . 3.500 3.390 3.295 3.500 0.000 10 0 "[ . 1 . 2]" 1
1009 1 17 LYS HA 1 20 LEU HB2 3.000 . 3.500 2.606 2.235 3.068 . 0 0 "[ . 1 . 2]" 1
1010 1 17 LYS HA 1 20 LEU MD1 3.000 . 3.500 3.322 2.912 3.507 0.007 19 0 "[ . 1 . 2]" 1
1011 1 18 GLU H 1 21 ILE MG 5.000 . 6.000 5.563 5.111 6.017 0.017 10 0 "[ . 1 . 2]" 1
1012 1 18 GLU H 1 21 ILE MD 5.000 . 6.000 4.778 3.204 5.894 . 0 0 "[ . 1 . 2]" 1
1013 1 18 GLU HA 1 21 ILE H 4.000 . 4.750 3.625 3.353 3.797 . 0 0 "[ . 1 . 2]" 1
1014 1 18 GLU HA 1 21 ILE HB 3.000 . 3.500 2.791 2.520 3.085 . 0 0 "[ . 1 . 2]" 1
1015 1 19 ASP HA 1 22 GLN H 4.000 . 4.750 3.806 3.654 3.886 . 0 0 "[ . 1 . 2]" 1
1016 1 19 ASP HA 1 22 GLN QB 3.000 . 3.500 3.509 3.502 3.520 0.020 14 0 "[ . 1 . 2]" 1
1017 1 19 ASP HA 1 22 GLN QG 5.000 . 6.000 4.992 3.811 5.613 . 0 0 "[ . 1 . 2]" 1
1018 1 20 LEU H 1 23 LYS H 5.000 . 6.000 4.982 4.903 5.103 . 0 0 "[ . 1 . 2]" 1
1019 1 20 LEU HA 1 23 LYS H 3.000 . 3.500 3.249 3.153 3.351 . 0 0 "[ . 1 . 2]" 1
1020 1 20 LEU HA 1 23 LYS QB 4.000 . 4.750 2.708 2.393 2.949 . 0 0 "[ . 1 . 2]" 1
1021 1 20 LEU HA 1 23 LYS QG 4.000 . 4.750 2.787 2.031 3.894 . 0 0 "[ . 1 . 2]" 1
1022 1 20 LEU MD2 1 23 LYS H 5.000 . 6.000 4.524 4.361 4.662 . 0 0 "[ . 1 . 2]" 1
1023 1 20 LEU MD2 1 23 LYS QG 5.000 . 6.000 3.498 3.021 4.133 . 0 0 "[ . 1 . 2]" 1
1024 1 21 ILE HA 1 24 SER H 4.000 . 4.750 3.465 3.384 3.544 . 0 0 "[ . 1 . 2]" 1
1025 1 21 ILE HA 1 24 SER HG 3.000 . 3.500 2.588 1.996 3.284 . 0 0 "[ . 1 . 2]" 1
1026 1 21 ILE HA 1 24 SER QB 4.000 . 4.750 3.054 2.795 3.357 . 0 0 "[ . 1 . 2]" 1
1027 1 21 ILE HB 1 24 SER HG 5.000 . 6.000 5.102 4.595 5.870 . 0 0 "[ . 1 . 2]" 1
1028 1 22 GLN HA 1 25 LEU H 3.000 . 3.500 3.539 3.524 3.563 0.063 12 0 "[ . 1 . 2]" 1
1029 1 22 GLN HA 1 25 LEU HB2 3.000 . 3.500 3.476 3.324 3.519 0.019 14 0 "[ . 1 . 2]" 1
1030 1 22 GLN HA 1 25 LEU MD1 3.000 . 3.500 2.107 1.866 2.576 . 0 0 "[ . 1 . 2]" 1
1031 1 22 GLN HE22 1 25 LEU MD1 5.000 . 6.000 4.715 2.511 5.832 . 0 0 "[ . 1 . 2]" 1
1032 1 28 CYS HB3 1 31 CYS H 3.000 . 3.500 2.657 2.452 2.920 . 0 0 "[ . 1 . 2]" 1
1033 1 28 CYS HB2 1 31 CYS H 4.000 . 4.750 4.014 3.866 4.196 . 0 0 "[ . 1 . 2]" 1
1034 1 35 GLY H 1 38 LEU HG 4.000 . 4.750 4.212 3.496 4.749 . 0 0 "[ . 1 . 2]" 1
1035 1 35 GLY H 1 38 LEU MD1 4.000 . 4.750 3.066 2.533 3.528 . 0 0 "[ . 1 . 2]" 1
1036 1 35 GLY QA 1 38 LEU HG 4.000 . 4.750 2.760 2.359 3.175 . 0 0 "[ . 1 . 2]" 1
1037 1 35 GLY QA 1 38 LEU MD2 4.000 . 4.750 4.044 3.557 4.505 . 0 0 "[ . 1 . 2]" 1
1038 1 43 GLU H 1 46 CYS H 4.000 . 4.750 4.724 4.582 4.756 0.006 11 0 "[ . 1 . 2]" 1
1039 1 43 GLU H 1 46 CYS HB3 4.000 . 4.750 3.685 3.493 3.814 . 0 0 "[ . 1 . 2]" 1
1040 1 43 GLU H 1 46 CYS HB2 4.000 . 4.750 4.751 4.704 4.763 0.013 5 0 "[ . 1 . 2]" 1
1041 1 43 GLU QB 1 46 CYS H 4.000 . 4.750 2.165 1.965 2.796 . 0 0 "[ . 1 . 2]" 1
1042 1 43 GLU QB 1 46 CYS HB3 3.000 . 3.500 2.025 1.936 2.223 . 0 0 "[ . 1 . 2]" 1
1043 1 43 GLU QB 1 46 CYS HB2 3.000 . 3.500 2.147 2.066 2.272 . 0 0 "[ . 1 . 2]" 1
1044 1 43 GLU QG 1 46 CYS HB2 4.000 . 4.750 2.880 1.989 3.603 . 0 0 "[ . 1 . 2]" 1
1045 1 57 ASP HA 1 60 THR H 5.000 . 6.000 3.432 3.369 3.480 . 0 0 "[ . 1 . 2]" 1
1046 1 57 ASP QB 1 60 THR HA 5.000 . 6.000 5.354 4.896 5.683 . 0 0 "[ . 1 . 2]" 1
1047 1 58 HIS H 1 61 ILE MD 5.000 . 6.000 4.384 4.049 4.571 . 0 0 "[ . 1 . 2]" 1
1048 1 58 HIS HA 1 61 ILE H 3.000 . 3.500 3.368 3.248 3.471 . 0 0 "[ . 1 . 2]" 1
1049 1 58 HIS HA 1 61 ILE HB 3.000 . 3.500 3.050 2.917 3.191 . 0 0 "[ . 1 . 2]" 1
1050 1 58 HIS HA 1 61 ILE MG 5.000 . 6.000 4.337 4.166 4.478 . 0 0 "[ . 1 . 2]" 1
1051 1 58 HIS HA 1 61 ILE MD 4.000 . 4.750 2.830 2.493 3.063 . 0 0 "[ . 1 . 2]" 1
1052 1 58 HIS HD2 1 61 ILE HB 3.000 . 3.500 3.273 2.975 3.503 0.003 14 0 "[ . 1 . 2]" 1
1053 1 58 HIS HD2 1 61 ILE MG 4.000 . 4.750 3.935 3.619 4.163 . 0 0 "[ . 1 . 2]" 1
1054 1 58 HIS HD2 1 61 ILE MD 3.000 . 3.500 2.528 2.285 2.921 . 0 0 "[ . 1 . 2]" 1
1055 1 58 HIS HD2 1 61 ILE QG 4.000 . 4.750 3.557 3.345 3.885 . 0 0 "[ . 1 . 2]" 1
1056 1 59 SER HA 1 62 HIS H 4.000 . 4.750 3.825 3.749 3.881 . 0 0 "[ . 1 . 2]" 1
1057 1 59 SER HA 1 62 HIS HB3 5.000 . 6.000 2.798 2.719 2.911 . 0 0 "[ . 1 . 2]" 1
1058 1 59 SER HA 1 62 HIS HB2 5.000 . 6.000 4.102 3.999 4.231 . 0 0 "[ . 1 . 2]" 1
1059 1 60 THR HA 1 63 SER H 3.000 . 3.500 3.440 3.380 3.507 0.007 18 0 "[ . 1 . 2]" 1
1060 1 60 THR HB 1 63 SER H 5.000 . 6.000 5.324 5.218 5.371 . 0 0 "[ . 1 . 2]" 1
1061 1 60 THR MG 1 63 SER H 5.000 . 6.000 4.693 4.580 4.812 . 0 0 "[ . 1 . 2]" 1
1062 1 61 ILE HA 1 64 GLN H 3.000 . 3.500 3.496 3.452 3.511 0.011 17 0 "[ . 1 . 2]" 1
1063 1 61 ILE HA 1 64 GLN HE22 4.000 . 4.750 4.778 4.768 4.797 0.047 10 0 "[ . 1 . 2]" 1
1064 1 61 ILE HA 1 64 GLN QB 3.000 . 3.500 3.000 2.914 3.057 . 0 0 "[ . 1 . 2]" 1
1065 1 61 ILE HA 1 64 GLN QG 4.000 . 4.750 4.280 4.142 4.437 . 0 0 "[ . 1 . 2]" 1
1066 1 61 ILE MG 1 64 GLN H 5.000 . 6.000 4.577 4.493 4.647 . 0 0 "[ . 1 . 2]" 1
1067 1 73 ASN HD22 1 76 THR MG 5.000 . 6.000 4.651 4.038 5.478 . 0 0 "[ . 1 . 2]" 1
1068 1 73 ASN QB 1 76 THR HG1 4.000 . 4.750 3.124 2.262 4.250 . 0 0 "[ . 1 . 2]" 1
1069 1 73 ASN QB 1 76 THR MG 5.000 . 6.000 4.844 4.341 5.365 . 0 0 "[ . 1 . 2]" 1
1070 1 74 LEU HA 1 77 LEU H 4.000 . 4.750 3.278 3.142 3.397 . 0 0 "[ . 1 . 2]" 1
1071 1 74 LEU HA 1 77 LEU HB2 5.000 . 6.000 5.584 5.285 5.828 . 0 0 "[ . 1 . 2]" 1
1072 1 74 LEU HA 1 77 LEU MD2 4.000 . 4.750 2.985 2.670 3.529 . 0 0 "[ . 1 . 2]" 1
1073 1 81 CYS H 1 84 CYS H 5.000 . 6.000 5.516 5.495 5.563 . 0 0 "[ . 1 . 2]" 1
1074 1 81 CYS H 1 84 CYS HB3 5.000 . 6.000 5.814 5.726 5.926 . 0 0 "[ . 1 . 2]" 1
1075 1 81 CYS HA 1 84 CYS H 5.000 . 6.000 4.475 4.444 4.518 . 0 0 "[ . 1 . 2]" 1
1076 1 81 CYS HB3 1 84 CYS H 4.000 . 4.750 3.285 3.223 3.359 . 0 0 "[ . 1 . 2]" 1
1077 1 81 CYS HB3 1 84 CYS HB2 3.000 . 3.500 2.171 2.094 2.254 . 0 0 "[ . 1 . 2]" 1
1078 1 81 CYS HB2 1 84 CYS H 4.000 . 4.750 4.442 4.408 4.478 . 0 0 "[ . 1 . 2]" 1
1079 1 82 TYR H 1 85 SER H 5.000 . 6.000 4.498 4.463 4.530 . 0 0 "[ . 1 . 2]" 1
1080 1 82 TYR HA 1 85 SER H 4.000 . 4.750 3.414 3.344 3.508 . 0 0 "[ . 1 . 2]" 1
1081 1 82 TYR HA 1 85 SER HA 4.000 . 4.750 3.232 3.117 3.319 . 0 0 "[ . 1 . 2]" 1
1082 1 5 HIS HD2 1 9 LEU MD1 5.000 . 6.000 3.769 2.703 4.216 . 0 0 "[ . 1 . 2]" 1
1083 1 5 HIS HD2 1 9 LEU MD2 5.000 . 6.000 3.339 2.221 3.999 . 0 0 "[ . 1 . 2]" 1
1084 1 5 HIS HE1 1 9 LEU MD1 5.000 . 6.000 2.831 2.199 3.601 . 0 0 "[ . 1 . 2]" 1
1085 1 5 HIS HE1 1 9 LEU MD2 5.000 . 6.000 4.175 3.501 5.095 . 0 0 "[ . 1 . 2]" 1
1086 1 15 ILE HA 1 19 ASP H 5.000 . 6.000 6.010 6.002 6.032 0.032 8 0 "[ . 1 . 2]" 1
1087 1 15 ILE HA 1 19 ASP HB3 5.000 . 6.000 5.067 4.562 5.635 . 0 0 "[ . 1 . 2]" 1
1088 1 15 ILE HA 1 19 ASP HB2 5.000 . 6.000 4.376 4.133 4.565 . 0 0 "[ . 1 . 2]" 1
1089 1 15 ILE MG 1 19 ASP H 5.000 . 6.000 4.321 3.342 5.631 . 0 0 "[ . 1 . 2]" 1
1090 1 15 ILE MD 1 19 ASP H 5.000 . 6.000 5.395 4.394 6.018 0.018 19 0 "[ . 1 . 2]" 1
1091 1 16 THR H 1 20 LEU H 5.000 . 6.000 4.641 4.492 4.754 . 0 0 "[ . 1 . 2]" 1
1092 1 16 THR H 1 20 LEU HG 5.000 . 6.000 4.455 4.200 4.656 . 0 0 "[ . 1 . 2]" 1
1093 1 17 LYS HA 1 21 ILE H 5.000 . 6.000 3.911 3.764 4.152 . 0 0 "[ . 1 . 2]" 1
1094 1 20 LEU HA 1 24 SER H 4.000 . 4.750 3.902 3.805 4.004 . 0 0 "[ . 1 . 2]" 1
1095 1 20 LEU HB3 1 24 SER H 5.000 . 6.000 4.484 4.390 4.625 . 0 0 "[ . 1 . 2]" 1
1096 1 28 CYS H 1 32 LYS H 5.000 . 6.000 5.862 5.527 6.019 0.019 14 0 "[ . 1 . 2]" 1
1097 1 28 CYS H 1 32 LYS HA 5.000 . 6.000 3.713 3.149 4.194 . 0 0 "[ . 1 . 2]" 1
1098 1 34 GLN HA 1 38 LEU MD1 4.000 . 4.750 3.899 3.069 4.563 . 0 0 "[ . 1 . 2]" 1
1099 1 51 CYS HA 1 55 GLN HB2 5.000 . 6.000 4.489 4.384 4.797 . 0 0 "[ . 1 . 2]" 1
1100 1 51 CYS HA 1 55 GLN QG 5.000 . 6.000 4.367 3.799 5.537 . 0 0 "[ . 1 . 2]" 1
1101 1 51 CYS HB3 1 55 GLN HB2 4.000 . 4.750 3.349 3.270 3.587 . 0 0 "[ . 1 . 2]" 1
1102 1 51 CYS HB2 1 55 GLN HB3 4.000 . 4.750 3.349 3.247 3.564 . 0 0 "[ . 1 . 2]" 1
1103 1 51 CYS HB2 1 55 GLN HB2 3.000 . 3.500 1.986 1.944 2.282 . 0 0 "[ . 1 . 2]" 1
1104 1 51 CYS HB2 1 55 GLN QG 3.000 . 3.500 2.361 1.958 3.371 . 0 0 "[ . 1 . 2]" 1
1105 1 53 GLU HA 1 57 ASP H 4.000 . 4.750 2.355 2.070 2.769 . 0 0 "[ . 1 . 2]" 1
1106 1 53 GLU HA 1 57 ASP HA 5.000 . 6.000 2.536 2.055 3.141 . 0 0 "[ . 1 . 2]" 1
1107 1 53 GLU HA 1 57 ASP QB 3.000 . 3.500 2.485 1.949 3.243 . 0 0 "[ . 1 . 2]" 1
1108 1 57 ASP HA 1 61 ILE H 5.000 . 6.000 4.953 4.870 5.003 . 0 0 "[ . 1 . 2]" 1
1109 1 58 HIS HA 1 62 HIS H 4.000 . 4.750 3.719 3.625 3.825 . 0 0 "[ . 1 . 2]" 1
1110 1 60 THR MG 1 64 GLN H 5.000 . 6.000 4.319 4.140 4.687 . 0 0 "[ . 1 . 2]" 1
1111 1 60 THR MG 1 64 GLN HE21 5.000 . 6.000 3.872 2.843 4.174 . 0 0 "[ . 1 . 2]" 1
1112 1 60 THR MG 1 64 GLN HE22 4.000 . 4.750 2.586 2.309 2.774 . 0 0 "[ . 1 . 2]" 1
1113 1 60 THR MG 1 64 GLN QB 5.000 . 6.000 4.440 4.193 4.988 . 0 0 "[ . 1 . 2]" 1
1114 1 60 THR MG 1 64 GLN QG 5.000 . 6.000 3.981 3.857 4.374 . 0 0 "[ . 1 . 2]" 1
1115 1 61 ILE HA 1 65 GLU H 4.000 . 4.750 4.157 4.059 4.283 . 0 0 "[ . 1 . 2]" 1
1116 1 61 ILE MG 1 65 GLU H 5.000 . 6.000 3.904 3.785 4.005 . 0 0 "[ . 1 . 2]" 1
1117 1 61 ILE MG 1 65 GLU QG 4.000 . 4.750 2.969 2.465 3.993 . 0 0 "[ . 1 . 2]" 1
1118 1 62 HIS HA 1 66 THR MG 5.000 . 6.000 4.328 4.185 4.497 . 0 0 "[ . 1 . 2]" 1
1119 1 62 HIS HD1 1 66 THR MG 5.000 . 6.000 4.244 4.104 4.437 . 0 0 "[ . 1 . 2]" 1
1120 1 62 HIS HE1 1 66 THR HB 5.000 . 6.000 5.543 5.426 5.661 . 0 0 "[ . 1 . 2]" 1
1121 1 62 HIS HE1 1 66 THR HG1 5.000 . 6.000 5.333 5.183 5.442 . 0 0 "[ . 1 . 2]" 1
1122 1 62 HIS HE1 1 66 THR MG 3.000 . 3.500 3.445 3.281 3.503 0.003 18 0 "[ . 1 . 2]" 1
1123 1 73 ASN H 1 77 LEU MD2 5.000 . 6.000 5.915 5.652 6.007 0.007 12 0 "[ . 1 . 2]" 1
1124 1 84 CYS H 1 88 VAL MG1 5.000 . 6.000 5.204 4.997 5.409 . 0 0 "[ . 1 . 2]" 1
1125 1 84 CYS H 1 88 VAL MG2 5.000 . 6.000 5.902 5.642 6.004 0.004 1 0 "[ . 1 . 2]" 1
1126 1 84 CYS HB3 1 88 VAL MG1 5.000 . 6.000 4.145 3.850 4.357 . 0 0 "[ . 1 . 2]" 1
1127 1 84 CYS HB3 1 88 VAL MG2 5.000 . 6.000 5.844 5.513 6.004 0.004 18 0 "[ . 1 . 2]" 1
1128 1 5 HIS HE1 1 10 ASP HA 5.000 . 6.000 5.554 4.638 6.008 0.008 16 0 "[ . 1 . 2]" 1
1129 1 5 HIS HD2 1 88 VAL HA 5.000 . 6.000 5.884 5.150 6.004 0.004 1 0 "[ . 1 . 2]" 1
1130 1 5 HIS HD2 1 88 VAL HB 5.000 . 6.000 4.850 3.866 5.285 . 0 0 "[ . 1 . 2]" 1
1131 1 5 HIS HD2 1 88 VAL MG1 5.000 . 6.000 4.224 2.940 4.728 . 0 0 "[ . 1 . 2]" 1
1132 1 5 HIS HE1 1 89 PHE QD 4.000 . 4.750 4.286 3.612 4.753 0.003 6 0 "[ . 1 . 2]" 1
1133 1 5 HIS HE1 1 91 ASP QB 4.000 . 4.750 3.674 2.311 4.490 . 0 0 "[ . 1 . 2]" 1
1134 1 6 CYS HB3 1 88 VAL MG1 4.000 . 4.750 2.878 2.611 3.131 . 0 0 "[ . 1 . 2]" 1
1135 1 6 CYS HB3 1 88 VAL MG2 5.000 . 6.000 4.308 3.844 4.818 . 0 0 "[ . 1 . 2]" 1
1136 1 6 CYS HB2 1 88 VAL MG1 4.000 . 4.750 3.309 3.048 3.614 . 0 0 "[ . 1 . 2]" 1
1137 1 6 CYS HB2 1 88 VAL MG2 5.000 . 6.000 5.083 4.516 5.582 . 0 0 "[ . 1 . 2]" 1
1138 1 8 HIS HA 1 69 TYR QD 5.000 . 6.000 4.440 4.041 4.542 . 0 0 "[ . 1 . 2]" 1
1139 1 8 HIS HA 1 69 TYR QE 5.000 . 6.000 5.972 5.591 6.010 0.010 14 0 "[ . 1 . 2]" 1
1140 1 8 HIS HB3 1 69 TYR HB2 4.000 . 4.750 2.819 2.121 2.966 . 0 0 "[ . 1 . 2]" 1
1141 1 8 HIS HB3 1 69 TYR QD 4.000 . 4.750 3.204 3.124 3.245 . 0 0 "[ . 1 . 2]" 1
1142 1 8 HIS HB3 1 69 TYR QE 5.000 . 6.000 5.356 5.151 5.408 . 0 0 "[ . 1 . 2]" 1
1143 1 8 HIS HB2 1 69 TYR QD 4.000 . 4.750 4.763 4.757 4.767 0.017 4 0 "[ . 1 . 2]" 1
1144 1 8 HIS HD2 1 69 TYR HB3 5.000 . 6.000 5.346 4.753 5.471 . 0 0 "[ . 1 . 2]" 1
1145 1 8 HIS HD2 1 69 TYR HB2 5.000 . 6.000 4.128 3.808 4.279 . 0 0 "[ . 1 . 2]" 1
1146 1 8 HIS HD2 1 69 TYR QD 3.000 . 3.500 2.835 2.628 3.184 . 0 0 "[ . 1 . 2]" 1
1147 1 8 HIS H 1 70 LEU MD1 5.000 . 6.000 5.027 4.564 5.810 . 0 0 "[ . 1 . 2]" 1
1148 1 8 HIS H 1 70 LEU MD2 5.000 . 6.000 4.548 4.164 4.721 . 0 0 "[ . 1 . 2]" 1
1149 1 8 HIS HB3 1 70 LEU MD1 4.000 . 4.750 3.501 2.981 4.375 . 0 0 "[ . 1 . 2]" 1
1150 1 8 HIS HB3 1 70 LEU MD2 4.000 . 4.750 2.072 1.854 2.460 . 0 0 "[ . 1 . 2]" 1
1151 1 8 HIS HB2 1 70 LEU MD1 4.000 . 4.750 2.812 2.282 3.632 . 0 0 "[ . 1 . 2]" 1
1152 1 8 HIS HB2 1 70 LEU MD2 4.000 . 4.750 2.561 2.054 2.809 . 0 0 "[ . 1 . 2]" 1
1153 1 8 HIS HD2 1 70 LEU MD2 5.000 . 6.000 4.360 4.025 4.821 . 0 0 "[ . 1 . 2]" 1
1154 1 8 HIS HB3 1 83 ALA MB 5.000 . 6.000 3.420 3.271 3.544 . 0 0 "[ . 1 . 2]" 1
1155 1 8 HIS HB2 1 83 ALA MB 5.000 . 6.000 3.664 3.522 3.760 . 0 0 "[ . 1 . 2]" 1
1156 1 8 HIS HD2 1 83 ALA H 5.000 . 6.000 5.330 5.248 5.395 . 0 0 "[ . 1 . 2]" 1
1157 1 8 HIS HD2 1 83 ALA MB 5.000 . 6.000 2.909 2.860 2.975 . 0 0 "[ . 1 . 2]" 1
1158 1 8 HIS HE1 1 83 ALA HA 5.000 . 6.000 4.972 4.913 5.015 . 0 0 "[ . 1 . 2]" 1
1159 1 8 HIS HE1 1 83 ALA MB 3.000 . 3.500 2.589 2.528 2.649 . 0 0 "[ . 1 . 2]" 1
1160 1 8 HIS HB3 1 84 CYS H 5.000 . 6.000 5.323 5.219 5.442 . 0 0 "[ . 1 . 2]" 1
1161 1 8 HIS HE1 1 84 CYS H 4.000 . 4.750 3.573 3.505 3.675 . 0 0 "[ . 1 . 2]" 1
1162 1 8 HIS HE1 1 84 CYS HA 3.000 . 3.500 3.515 3.508 3.527 0.027 20 0 "[ . 1 . 2]" 1
1163 1 9 LEU HA 1 70 LEU HG 4.000 . 4.750 1.922 1.862 1.997 . 0 0 "[ . 1 . 2]" 1
1164 1 9 LEU HA 1 70 LEU MD1 4.000 . 4.750 2.662 2.212 3.062 . 0 0 "[ . 1 . 2]" 1
1165 1 9 LEU HA 1 70 LEU MD2 5.000 . 6.000 2.917 2.015 3.275 . 0 0 "[ . 1 . 2]" 1
1166 1 9 LEU H 1 81 CYS HA 5.000 . 6.000 6.032 6.013 6.050 0.050 6 0 "[ . 1 . 2]" 1
1167 1 9 LEU H 1 83 ALA MB 5.000 . 6.000 5.584 5.435 5.677 . 0 0 "[ . 1 . 2]" 1
1168 1 9 LEU MD2 1 84 CYS H 5.000 . 6.000 6.010 6.001 6.021 0.021 2 0 "[ . 1 . 2]" 1
1169 1 9 LEU HG 1 88 VAL MG2 5.000 . 6.000 4.240 3.970 4.707 . 0 0 "[ . 1 . 2]" 1
1170 1 9 LEU MD1 1 88 VAL HA 5.000 . 6.000 5.818 5.666 5.979 . 0 0 "[ . 1 . 2]" 1
1171 1 9 LEU MD1 1 88 VAL HB 4.000 . 4.750 3.793 3.604 4.004 . 0 0 "[ . 1 . 2]" 1
1172 1 9 LEU MD1 1 88 VAL MG2 4.000 . 4.750 3.832 3.579 4.135 . 0 0 "[ . 1 . 2]" 1
1173 1 9 LEU MD1 1 89 PHE H 5.000 . 6.000 4.488 3.933 4.824 . 0 0 "[ . 1 . 2]" 1
1174 1 9 LEU MD1 1 89 PHE QD 5.000 . 6.000 5.273 4.531 5.712 . 0 0 "[ . 1 . 2]" 1
1175 1 9 LEU MD2 1 89 PHE QD 5.000 . 6.000 4.971 4.556 5.288 . 0 0 "[ . 1 . 2]" 1
1176 1 9 LEU MD1 1 90 LEU HA 5.000 . 6.000 3.439 2.903 3.957 . 0 0 "[ . 1 . 2]" 1
1177 1 9 LEU MD2 1 90 LEU HA 5.000 . 6.000 4.466 4.029 4.798 . 0 0 "[ . 1 . 2]" 1
1178 1 9 LEU MD1 1 91 ASP H 5.000 . 6.000 4.164 3.398 4.779 . 0 0 "[ . 1 . 2]" 1
1179 1 11 SER H 1 70 LEU MD1 5.000 . 6.000 5.499 5.024 6.016 0.016 3 0 "[ . 1 . 2]" 1
1180 1 11 SER H 1 70 LEU MD2 5.000 . 6.000 4.765 4.263 4.939 . 0 0 "[ . 1 . 2]" 1
1181 1 12 VAL MG1 1 42 LEU H 5.000 . 6.000 4.771 4.564 4.894 . 0 0 "[ . 1 . 2]" 1
1182 1 12 VAL MG1 1 42 LEU HA 5.000 . 6.000 5.341 5.035 5.580 . 0 0 "[ . 1 . 2]" 1
1183 1 12 VAL MG1 1 42 LEU HB3 4.000 . 4.750 3.435 3.042 3.795 . 0 0 "[ . 1 . 2]" 1
1184 1 12 VAL MG1 1 42 LEU HG 4.000 . 4.750 4.384 3.738 4.761 0.011 3 0 "[ . 1 . 2]" 1
1185 1 12 VAL MG1 1 42 LEU QD 3.000 . 3.500 3.458 3.030 3.519 0.019 4 0 "[ . 1 . 2]" 1
1186 1 12 VAL MG2 1 42 LEU HA 5.000 . 6.000 4.674 4.368 4.936 . 0 0 "[ . 1 . 2]" 1
1187 1 12 VAL MG2 1 42 LEU HB3 4.000 . 4.750 2.829 2.499 3.357 . 0 0 "[ . 1 . 2]" 1
1188 1 12 VAL MG2 1 42 LEU HG 3.000 . 3.500 2.668 2.152 3.399 . 0 0 "[ . 1 . 2]" 1
1189 1 12 VAL HA 1 43 GLU HA 3.000 . 3.500 3.489 3.327 3.520 0.020 19 0 "[ . 1 . 2]" 1
1190 1 12 VAL MG1 1 43 GLU HA 5.000 . 6.000 2.184 1.925 2.550 . 0 0 "[ . 1 . 2]" 1
1191 1 12 VAL MG2 1 43 GLU HA 5.000 . 6.000 3.628 3.491 3.909 . 0 0 "[ . 1 . 2]" 1
1192 1 12 VAL HA 1 44 ASN H 4.000 . 4.750 3.197 2.893 3.375 . 0 0 "[ . 1 . 2]" 1
1193 1 12 VAL HA 1 44 ASN HB3 5.000 . 6.000 4.312 3.836 4.541 . 0 0 "[ . 1 . 2]" 1
1194 1 12 VAL HA 1 44 ASN HB2 5.000 . 6.000 4.135 3.699 4.510 . 0 0 "[ . 1 . 2]" 1
1195 1 12 VAL MG1 1 44 ASN H 5.000 . 6.000 3.472 3.001 3.771 . 0 0 "[ . 1 . 2]" 1
1196 1 12 VAL MG1 1 44 ASN HA 5.000 . 6.000 5.706 5.326 5.925 . 0 0 "[ . 1 . 2]" 1
1197 1 12 VAL MG2 1 44 ASN H 5.000 . 6.000 4.371 4.064 4.621 . 0 0 "[ . 1 . 2]" 1
1198 1 12 VAL MG2 1 44 ASN HA 5.000 . 6.000 5.853 5.642 6.006 0.006 1 0 "[ . 1 . 2]" 1
1199 1 12 VAL H 1 70 LEU MD1 5.000 . 6.000 5.223 4.767 5.614 . 0 0 "[ . 1 . 2]" 1
1200 1 12 VAL MG1 1 70 LEU H 5.000 . 6.000 4.317 3.934 4.610 . 0 0 "[ . 1 . 2]" 1
1201 1 12 VAL MG1 1 70 LEU HB2 4.000 . 4.750 2.624 2.398 2.941 . 0 0 "[ . 1 . 2]" 1
1202 1 12 VAL MG2 1 70 LEU H 5.000 . 6.000 5.208 4.669 5.956 . 0 0 "[ . 1 . 2]" 1
1203 1 12 VAL MG2 1 70 LEU HB2 4.000 . 4.750 3.017 2.567 3.831 . 0 0 "[ . 1 . 2]" 1
1204 1 12 VAL MG1 1 90 LEU MD2 5.000 . 6.000 5.518 5.197 5.824 . 0 0 "[ . 1 . 2]" 1
1205 1 12 VAL MG2 1 90 LEU MD2 3.000 . 3.500 3.416 3.105 3.505 0.005 8 0 "[ . 1 . 2]" 1
1206 1 13 GLY H 1 44 ASN H 4.000 . 4.750 2.356 2.030 2.724 . 0 0 "[ . 1 . 2]" 1
1207 1 13 GLY H 1 44 ASN HB2 5.000 . 6.000 2.159 1.986 2.412 . 0 0 "[ . 1 . 2]" 1
1208 1 13 GLY H 1 45 ARG H 4.000 . 4.750 4.562 4.193 4.755 0.005 5 0 "[ . 1 . 2]" 1
1209 1 15 ILE MG 1 20 LEU H 5.000 . 6.000 3.411 2.598 4.429 . 0 0 "[ . 1 . 2]" 1
1210 1 15 ILE MG 1 20 LEU MD2 3.000 . 3.500 2.159 1.841 2.785 . 0 0 "[ . 1 . 2]" 1
1211 1 15 ILE MD 1 20 LEU H 5.000 . 6.000 4.292 3.061 5.431 . 0 0 "[ . 1 . 2]" 1
1212 1 15 ILE QG 1 20 LEU MD2 4.000 . 4.750 2.978 1.959 3.857 . 0 0 "[ . 1 . 2]" 1
1213 1 15 ILE MD 1 42 LEU HA 5.000 . 6.000 3.372 2.546 4.289 . 0 0 "[ . 1 . 2]" 1
1214 1 15 ILE MD 1 72 VAL H 5.000 . 6.000 5.549 4.869 6.011 0.011 12 0 "[ . 1 . 2]" 1
1215 1 20 LEU MD1 1 72 VAL MG1 3.000 . 3.500 3.512 3.504 3.524 0.024 19 0 "[ . 1 . 2]" 1
1216 1 20 LEU MD2 1 72 VAL MG1 4.000 . 4.750 2.927 2.463 3.370 . 0 0 "[ . 1 . 2]" 1
1217 1 20 LEU HA 1 74 LEU MD1 5.000 . 6.000 4.451 4.166 4.800 . 0 0 "[ . 1 . 2]" 1
1218 1 20 LEU HB3 1 77 LEU MD2 4.000 . 4.750 4.560 4.176 4.768 0.018 14 0 "[ . 1 . 2]" 1
1219 1 23 LYS HA 1 38 LEU MD1 4.000 . 4.750 4.228 3.758 4.587 . 0 0 "[ . 1 . 2]" 1
1220 1 23 LYS H 1 49 VAL MG2 4.000 . 4.750 3.964 3.593 4.316 . 0 0 "[ . 1 . 2]" 1
1221 1 23 LYS HA 1 49 VAL MG2 4.000 . 4.750 2.506 2.126 2.848 . 0 0 "[ . 1 . 2]" 1
1222 1 23 LYS QB 1 49 VAL MG1 4.000 . 4.750 2.367 1.966 2.729 . 0 0 "[ . 1 . 2]" 1
1223 1 23 LYS QE 1 49 VAL MG1 5.000 . 6.000 4.410 3.483 5.179 . 0 0 "[ . 1 . 2]" 1
1224 1 23 LYS QE 1 49 VAL MG2 5.000 . 6.000 2.807 1.921 3.756 . 0 0 "[ . 1 . 2]" 1
1225 1 23 LYS H 1 74 LEU MD1 5.000 . 6.000 4.366 4.179 4.591 . 0 0 "[ . 1 . 2]" 1
1226 1 23 LYS H 1 74 LEU MD2 4.000 . 4.750 3.792 3.621 3.880 . 0 0 "[ . 1 . 2]" 1
1227 1 23 LYS QB 1 74 LEU MD1 3.000 . 3.500 1.842 1.787 1.941 0.013 5 0 "[ . 1 . 2]" 1
1228 1 23 LYS QG 1 74 LEU MD1 5.000 . 6.000 3.598 3.245 3.805 . 0 0 "[ . 1 . 2]" 1
1229 1 24 SER H 1 74 LEU MD2 4.000 . 4.750 2.958 2.554 3.300 . 0 0 "[ . 1 . 2]" 1
1230 1 24 SER HA 1 74 LEU HB3 4.000 . 4.750 3.118 2.566 3.536 . 0 0 "[ . 1 . 2]" 1
1231 1 24 SER HA 1 74 LEU MD1 3.000 . 3.500 2.790 2.427 3.160 . 0 0 "[ . 1 . 2]" 1
1232 1 24 SER HG 1 74 LEU HB3 5.000 . 6.000 5.581 5.213 5.882 . 0 0 "[ . 1 . 2]" 1
1233 1 24 SER HG 1 74 LEU MD1 5.000 . 6.000 5.442 5.124 5.871 . 0 0 "[ . 1 . 2]" 1
1234 1 24 SER QB 1 74 LEU HB3 3.000 . 3.500 3.013 2.577 3.431 . 0 0 "[ . 1 . 2]" 1
1235 1 24 SER QB 1 74 LEU MD1 4.000 . 4.750 3.822 3.548 4.226 . 0 0 "[ . 1 . 2]" 1
1236 1 24 SER QB 1 74 LEU MD2 5.000 . 6.000 2.836 2.459 3.197 . 0 0 "[ . 1 . 2]" 1
1237 1 26 GLY H 1 38 LEU MD1 5.000 . 6.000 3.016 2.582 3.633 . 0 0 "[ . 1 . 2]" 1
1238 1 26 GLY QA 1 38 LEU MD1 5.000 . 6.000 1.980 1.824 2.531 . 0 0 "[ . 1 . 2]" 1
1239 1 27 THR MG 1 32 LYS HA 5.000 . 6.000 4.875 3.172 5.614 . 0 0 "[ . 1 . 2]" 1
1240 1 27 THR MG 1 34 GLN H 5.000 . 6.000 5.136 4.280 5.965 . 0 0 "[ . 1 . 2]" 1
1241 1 27 THR MG 1 34 GLN HA 4.000 . 4.750 3.425 2.983 4.256 . 0 0 "[ . 1 . 2]" 1
1242 1 27 THR MG 1 34 GLN HE21 5.000 . 6.000 4.300 2.084 5.887 . 0 0 "[ . 1 . 2]" 1
1243 1 27 THR MG 1 34 GLN HE22 5.000 . 6.000 4.800 2.499 6.001 0.001 16 0 "[ . 1 . 2]" 1
1244 1 27 THR MG 1 34 GLN QB 5.000 . 6.000 4.548 3.216 5.699 . 0 0 "[ . 1 . 2]" 1
1245 1 27 THR MG 1 34 GLN QG 4.000 . 4.750 3.632 2.337 4.761 0.011 16 0 "[ . 1 . 2]" 1
1246 1 27 THR HB 1 35 GLY H 5.000 . 6.000 5.958 5.759 6.030 0.030 4 0 "[ . 1 . 2]" 1
1247 1 27 THR H 1 38 LEU MD1 5.000 . 6.000 2.144 1.987 2.399 . 0 0 "[ . 1 . 2]" 1
1248 1 27 THR HB 1 38 LEU MD1 4.000 . 4.750 4.410 4.096 4.702 . 0 0 "[ . 1 . 2]" 1
1249 1 27 THR MG 1 38 LEU MD1 5.000 . 6.000 3.902 3.773 4.164 . 0 0 "[ . 1 . 2]" 1
1250 1 28 CYS H 1 33 VAL MG1 5.000 . 6.000 4.272 2.205 5.447 . 0 0 "[ . 1 . 2]" 1
1251 1 28 CYS H 1 33 VAL MG2 5.000 . 6.000 3.630 2.026 5.435 . 0 0 "[ . 1 . 2]" 1
1252 1 28 CYS HB3 1 33 VAL MG1 4.000 . 4.750 3.647 1.968 4.764 0.014 12 0 "[ . 1 . 2]" 1
1253 1 28 CYS HB3 1 33 VAL MG2 4.000 . 4.750 3.282 2.177 4.778 0.028 15 0 "[ . 1 . 2]" 1
1254 1 28 CYS HB2 1 33 VAL MG1 5.000 . 6.000 3.382 1.886 4.274 . 0 0 "[ . 1 . 2]" 1
1255 1 28 CYS HB2 1 33 VAL MG2 5.000 . 6.000 2.802 1.843 4.316 . 0 0 "[ . 1 . 2]" 1
1256 1 28 CYS H 1 38 LEU MD2 4.000 . 4.750 3.730 3.420 4.095 . 0 0 "[ . 1 . 2]" 1
1257 1 28 CYS HA 1 38 LEU MD1 4.000 . 4.750 3.130 2.710 3.572 . 0 0 "[ . 1 . 2]" 1
1258 1 28 CYS HA 1 38 LEU MD2 4.000 . 4.750 2.871 2.440 3.691 . 0 0 "[ . 1 . 2]" 1
1259 1 28 CYS HB3 1 38 LEU MD2 4.000 . 4.750 4.052 3.630 4.588 . 0 0 "[ . 1 . 2]" 1
1260 1 28 CYS HB2 1 38 LEU MD2 4.000 . 4.750 2.550 2.056 3.078 . 0 0 "[ . 1 . 2]" 1
1261 1 28 CYS HA 1 49 VAL MG1 4.000 . 4.750 2.439 2.144 2.945 . 0 0 "[ . 1 . 2]" 1
1262 1 28 CYS HA 1 50 GLY H 5.000 . 6.000 4.854 4.573 5.092 . 0 0 "[ . 1 . 2]" 1
1263 1 28 CYS HA 1 50 GLY QA 4.000 . 4.750 3.803 3.581 3.991 . 0 0 "[ . 1 . 2]" 1
1264 1 28 CYS HB3 1 50 GLY QA 5.000 . 6.000 4.806 4.758 4.876 . 0 0 "[ . 1 . 2]" 1
1265 1 28 CYS HB2 1 50 GLY QA 5.000 . 6.000 4.274 4.143 4.504 . 0 0 "[ . 1 . 2]" 1
1266 1 28 CYS HA 1 51 CYS H 5.000 . 6.000 5.130 4.910 5.285 . 0 0 "[ . 1 . 2]" 1
1267 1 28 CYS HB3 1 51 CYS H 5.000 . 6.000 5.310 5.094 5.471 . 0 0 "[ . 1 . 2]" 1
1268 1 28 CYS HB2 1 51 CYS H 4.000 . 4.750 4.425 4.157 4.574 . 0 0 "[ . 1 . 2]" 1
1269 1 28 CYS HB2 1 51 CYS HA 5.000 . 6.000 4.997 4.622 5.258 . 0 0 "[ . 1 . 2]" 1
1270 1 29 GLN H 1 38 LEU MD2 5.000 . 6.000 4.504 4.087 5.326 . 0 0 "[ . 1 . 2]" 1
1271 1 29 GLN H 1 48 TYR HA 5.000 . 6.000 5.903 5.718 6.005 0.005 18 0 "[ . 1 . 2]" 1
1272 1 29 GLN HE21 1 48 TYR HA 5.000 . 6.000 5.097 4.522 5.329 . 0 0 "[ . 1 . 2]" 1
1273 1 29 GLN HE22 1 48 TYR HA 5.000 . 6.000 4.147 3.190 4.513 . 0 0 "[ . 1 . 2]" 1
1274 1 29 GLN H 1 49 VAL H 5.000 . 6.000 3.726 3.550 3.837 . 0 0 "[ . 1 . 2]" 1
1275 1 29 GLN H 1 49 VAL HB 4.000 . 4.750 2.173 2.036 2.379 . 0 0 "[ . 1 . 2]" 1
1276 1 29 GLN H 1 49 VAL MG1 5.000 . 6.000 3.045 2.819 3.316 . 0 0 "[ . 1 . 2]" 1
1277 1 29 GLN HA 1 49 VAL MG1 5.000 . 6.000 4.875 4.661 5.061 . 0 0 "[ . 1 . 2]" 1
1278 1 29 GLN HE21 1 49 VAL H 5.000 . 6.000 4.641 4.090 4.951 . 0 0 "[ . 1 . 2]" 1
1279 1 29 GLN HE21 1 49 VAL HB 5.000 . 6.000 4.527 3.790 4.960 . 0 0 "[ . 1 . 2]" 1
1280 1 29 GLN HE21 1 49 VAL MG2 5.000 . 6.000 3.160 2.265 3.774 . 0 0 "[ . 1 . 2]" 1
1281 1 29 GLN HE22 1 49 VAL H 5.000 . 6.000 4.194 3.625 4.462 . 0 0 "[ . 1 . 2]" 1
1282 1 29 GLN HE22 1 49 VAL HB 4.000 . 4.750 4.603 4.133 4.755 0.005 14 0 "[ . 1 . 2]" 1
1283 1 29 GLN HE22 1 49 VAL MG2 5.000 . 6.000 2.675 2.354 2.926 . 0 0 "[ . 1 . 2]" 1
1284 1 29 GLN QB 1 49 VAL H 4.000 . 4.750 2.015 1.912 2.173 . 0 0 "[ . 1 . 2]" 1
1285 1 29 GLN QG 1 49 VAL H 5.000 . 6.000 3.399 3.069 3.690 . 0 0 "[ . 1 . 2]" 1
1286 1 29 GLN H 1 50 GLY QA 4.000 . 4.750 3.488 3.274 3.732 . 0 0 "[ . 1 . 2]" 1
1287 1 31 CYS HA 1 56 VAL QG 5.000 . 6.000 5.905 5.635 6.011 0.011 5 0 "[ . 1 . 2]" 1
1288 1 31 CYS HB3 1 56 VAL QG 5.000 . 6.000 4.073 3.808 4.178 . 0 0 "[ . 1 . 2]" 1
1289 1 31 CYS HB2 1 56 VAL QG 5.000 . 6.000 4.401 4.078 4.593 . 0 0 "[ . 1 . 2]" 1
1290 1 31 CYS HA 1 58 HIS HE1 4.000 . 4.750 4.049 3.772 4.224 . 0 0 "[ . 1 . 2]" 1
1291 1 31 CYS HB3 1 58 HIS HE1 2.500 . 2.800 1.940 1.870 1.969 . 0 0 "[ . 1 . 2]" 1
1292 1 31 CYS HB2 1 58 HIS HE1 3.000 . 3.500 3.514 3.505 3.524 0.024 16 0 "[ . 1 . 2]" 1
1293 1 33 VAL MG1 1 38 LEU MD2 5.000 . 6.000 3.874 2.427 5.241 . 0 0 "[ . 1 . 2]" 1
1294 1 33 VAL MG2 1 38 LEU MD2 5.000 . 6.000 3.297 2.082 4.727 . 0 0 "[ . 1 . 2]" 1
1295 1 33 VAL MG1 1 51 CYS HA 5.000 . 6.000 5.447 4.079 6.015 0.015 16 0 "[ . 1 . 2]" 1
1296 1 33 VAL MG1 1 51 CYS HB3 4.000 . 4.750 3.509 1.973 4.080 . 0 0 "[ . 1 . 2]" 1
1297 1 33 VAL MG1 1 51 CYS HB2 4.000 . 4.750 4.018 2.923 4.568 . 0 0 "[ . 1 . 2]" 1
1298 1 33 VAL MG2 1 51 CYS HA 5.000 . 6.000 4.984 4.099 6.013 0.013 19 0 "[ . 1 . 2]" 1
1299 1 33 VAL MG2 1 51 CYS HB3 4.000 . 4.750 3.040 2.066 4.147 . 0 0 "[ . 1 . 2]" 1
1300 1 33 VAL MG2 1 51 CYS HB2 4.000 . 4.750 3.722 2.757 4.622 . 0 0 "[ . 1 . 2]" 1
1301 1 33 VAL MG1 1 55 GLN HB3 5.000 . 6.000 3.142 2.298 4.108 . 0 0 "[ . 1 . 2]" 1
1302 1 33 VAL MG1 1 55 GLN HE21 5.000 . 6.000 3.177 1.877 4.709 . 0 0 "[ . 1 . 2]" 1
1303 1 33 VAL MG1 1 55 GLN HE22 5.000 . 6.000 3.286 1.964 5.301 . 0 0 "[ . 1 . 2]" 1
1304 1 33 VAL MG1 1 55 GLN QG 5.000 . 6.000 3.160 1.925 4.092 . 0 0 "[ . 1 . 2]" 1
1305 1 33 VAL MG2 1 55 GLN HB3 5.000 . 6.000 3.393 1.822 4.400 . 0 0 "[ . 1 . 2]" 1
1306 1 33 VAL MG2 1 55 GLN HE21 5.000 . 6.000 3.573 1.951 4.798 . 0 0 "[ . 1 . 2]" 1
1307 1 33 VAL MG2 1 55 GLN HE22 5.000 . 6.000 3.576 1.981 4.768 . 0 0 "[ . 1 . 2]" 1
1308 1 33 VAL MG2 1 55 GLN QG 5.000 . 6.000 2.923 1.891 4.005 . 0 0 "[ . 1 . 2]" 1
1309 1 33 VAL MG2 1 56 VAL QG 5.000 . 6.000 4.119 2.404 5.030 . 0 0 "[ . 1 . 2]" 1
1310 1 36 PRO HA 1 75 THR MG 5.000 . 6.000 3.660 3.280 4.015 . 0 0 "[ . 1 . 2]" 1
1311 1 36 PRO QB 1 75 THR HB 4.000 . 4.750 4.549 4.153 4.772 0.022 16 0 "[ . 1 . 2]" 1
1312 1 36 PRO QB 1 75 THR MG 4.000 . 4.750 2.180 1.796 2.918 0.004 19 0 "[ . 1 . 2]" 1
1313 1 37 ASN H 1 75 THR HB 4.000 . 4.750 4.335 3.645 4.790 0.040 17 0 "[ . 1 . 2]" 1
1314 1 37 ASN H 1 75 THR MG 4.000 . 4.750 2.462 1.880 3.784 . 0 0 "[ . 1 . 2]" 1
1315 1 38 LEU MD1 1 49 VAL MG2 4.000 . 4.750 4.580 4.348 4.753 0.003 9 0 "[ . 1 . 2]" 1
1316 1 38 LEU MD2 1 49 VAL MG1 3.000 . 3.500 2.723 2.271 3.302 . 0 0 "[ . 1 . 2]" 1
1317 1 38 LEU MD2 1 50 GLY QA 5.000 . 6.000 3.696 3.421 4.026 . 0 0 "[ . 1 . 2]" 1
1318 1 38 LEU MD2 1 51 CYS H 5.000 . 6.000 3.737 3.402 3.998 . 0 0 "[ . 1 . 2]" 1
1319 1 38 LEU MD2 1 51 CYS HA 4.000 . 4.750 2.334 2.058 2.749 . 0 0 "[ . 1 . 2]" 1
1320 1 38 LEU MD2 1 51 CYS HB3 4.000 . 4.750 2.210 1.884 2.651 . 0 0 "[ . 1 . 2]" 1
1321 1 38 LEU MD2 1 51 CYS HB2 5.000 . 6.000 3.300 2.854 3.883 . 0 0 "[ . 1 . 2]" 1
1322 1 38 LEU MD2 1 52 GLY H 5.000 . 6.000 3.857 3.417 4.347 . 0 0 "[ . 1 . 2]" 1
1323 1 38 LEU HB3 1 74 LEU MD1 4.000 . 4.750 2.398 2.006 2.768 . 0 0 "[ . 1 . 2]" 1
1324 1 38 LEU HB2 1 74 LEU MD1 5.000 . 6.000 2.963 2.668 3.225 . 0 0 "[ . 1 . 2]" 1
1325 1 38 LEU MD1 1 74 LEU HB2 5.000 . 6.000 4.930 4.259 5.467 . 0 0 "[ . 1 . 2]" 1
1326 1 39 TRP H 1 51 CYS HA 5.000 . 6.000 2.584 2.412 2.788 . 0 0 "[ . 1 . 2]" 1
1327 1 39 TRP HD1 1 51 CYS HA 4.000 . 4.750 2.986 2.517 3.555 . 0 0 "[ . 1 . 2]" 1
1328 1 39 TRP HD1 1 52 GLY H 4.000 . 4.750 2.224 1.968 2.949 . 0 0 "[ . 1 . 2]" 1
1329 1 39 TRP HD1 1 52 GLY QA 4.000 . 4.750 3.271 2.636 3.754 . 0 0 "[ . 1 . 2]" 1
1330 1 39 TRP HE1 1 52 GLY QA 4.000 . 4.750 2.987 2.553 3.565 . 0 0 "[ . 1 . 2]" 1
1331 1 39 TRP HE3 1 52 GLY QA 5.000 . 6.000 5.227 4.956 5.472 . 0 0 "[ . 1 . 2]" 1
1332 1 39 TRP HB3 1 59 SER H 5.000 . 6.000 5.792 5.401 6.003 0.003 17 0 "[ . 1 . 2]" 1
1333 1 39 TRP HB2 1 59 SER H 5.000 . 6.000 4.522 4.271 4.687 . 0 0 "[ . 1 . 2]" 1
1334 1 39 TRP HB2 1 59 SER HA 5.000 . 6.000 4.582 4.418 4.786 . 0 0 "[ . 1 . 2]" 1
1335 1 39 TRP HB2 1 59 SER QB 3.000 . 3.500 2.880 2.217 3.503 0.003 17 0 "[ . 1 . 2]" 1
1336 1 39 TRP HD1 1 59 SER QB 5.000 . 6.000 4.691 4.080 5.282 . 0 0 "[ . 1 . 2]" 1
1337 1 39 TRP HB3 1 71 THR MG 5.000 . 6.000 3.468 3.164 3.749 . 0 0 "[ . 1 . 2]" 1
1338 1 39 TRP HE3 1 71 THR HA 5.000 . 6.000 4.254 4.171 4.362 . 0 0 "[ . 1 . 2]" 1
1339 1 39 TRP HE3 1 71 THR HB 4.000 . 4.750 3.838 3.723 3.943 . 0 0 "[ . 1 . 2]" 1
1340 1 39 TRP HE3 1 71 THR MG 3.000 . 3.500 1.966 1.906 2.055 . 0 0 "[ . 1 . 2]" 1
1341 1 39 TRP HZ3 1 71 THR MG 4.000 . 4.750 2.298 2.065 2.571 . 0 0 "[ . 1 . 2]" 1
1342 1 39 TRP HH2 1 71 THR MG 5.000 . 6.000 4.191 4.021 4.366 . 0 0 "[ . 1 . 2]" 1
1343 1 39 TRP HA 1 72 VAL H 4.000 . 4.750 4.648 4.545 4.760 0.010 3 0 "[ . 1 . 2]" 1
1344 1 39 TRP HE3 1 72 VAL H 4.000 . 4.750 3.901 3.694 4.111 . 0 0 "[ . 1 . 2]" 1
1345 1 39 TRP HE3 1 72 VAL HA 4.000 . 4.750 3.809 3.547 4.027 . 0 0 "[ . 1 . 2]" 1
1346 1 39 TRP HE3 1 72 VAL MG2 5.000 . 6.000 5.329 5.116 5.508 . 0 0 "[ . 1 . 2]" 1
1347 1 39 TRP HZ3 1 72 VAL HA 4.000 . 4.750 4.137 3.913 4.330 . 0 0 "[ . 1 . 2]" 1
1348 1 39 TRP HZ3 1 72 VAL MG2 5.000 . 6.000 5.601 5.355 5.814 . 0 0 "[ . 1 . 2]" 1
1349 1 39 TRP HH2 1 72 VAL HA 5.000 . 6.000 5.990 5.881 6.010 0.010 2 0 "[ . 1 . 2]" 1
1350 1 39 TRP HA 1 73 ASN HA 3.000 . 3.500 1.919 1.834 2.001 . 0 0 "[ . 1 . 2]" 1
1351 1 39 TRP HE3 1 73 ASN H 4.000 . 4.750 3.732 3.457 3.906 . 0 0 "[ . 1 . 2]" 1
1352 1 39 TRP HE3 1 73 ASN HA 4.000 . 4.750 4.155 3.713 4.422 . 0 0 "[ . 1 . 2]" 1
1353 1 39 TRP HE3 1 73 ASN QB 5.000 . 6.000 3.760 3.528 3.972 . 0 0 "[ . 1 . 2]" 1
1354 1 39 TRP HZ3 1 73 ASN H 4.000 . 4.750 4.041 3.614 4.293 . 0 0 "[ . 1 . 2]" 1
1355 1 39 TRP HZ3 1 73 ASN QB 5.000 . 6.000 4.246 3.913 4.620 . 0 0 "[ . 1 . 2]" 1
1356 1 39 TRP HH2 1 73 ASN QB 5.000 . 6.000 4.211 3.851 4.531 . 0 0 "[ . 1 . 2]" 1
1357 1 39 TRP HA 1 74 LEU H 4.000 . 4.750 2.934 2.512 3.268 . 0 0 "[ . 1 . 2]" 1
1358 1 39 TRP HA 1 74 LEU HG 4.000 . 4.750 3.785 3.408 4.165 . 0 0 "[ . 1 . 2]" 1
1359 1 39 TRP HA 1 74 LEU MD1 5.000 . 6.000 3.414 3.084 3.844 . 0 0 "[ . 1 . 2]" 1
1360 1 39 TRP HA 1 74 LEU MD2 5.000 . 6.000 5.055 4.803 5.400 . 0 0 "[ . 1 . 2]" 1
1361 1 39 TRP HD1 1 74 LEU MD1 5.000 . 6.000 5.429 5.061 5.879 . 0 0 "[ . 1 . 2]" 1
1362 1 39 TRP HZ3 1 79 VAL HA 4.000 . 4.750 4.464 4.095 4.720 . 0 0 "[ . 1 . 2]" 1
1363 1 39 TRP HZ3 1 79 VAL MG1 5.000 . 6.000 5.111 4.864 5.300 . 0 0 "[ . 1 . 2]" 1
1364 1 39 TRP HE3 1 80 TRP H 5.000 . 6.000 4.621 4.465 4.902 . 0 0 "[ . 1 . 2]" 1
1365 1 39 TRP HZ3 1 80 TRP H 4.000 . 4.750 3.632 3.347 3.832 . 0 0 "[ . 1 . 2]" 1
1366 1 39 TRP HZ3 1 80 TRP HA 4.000 . 4.750 4.356 4.179 4.638 . 0 0 "[ . 1 . 2]" 1
1367 1 39 TRP HZ3 1 80 TRP HB3 3.000 . 3.500 2.054 1.978 2.224 . 0 0 "[ . 1 . 2]" 1
1368 1 39 TRP HZ3 1 80 TRP HB2 3.000 . 3.500 2.145 2.042 2.517 . 0 0 "[ . 1 . 2]" 1
1369 1 39 TRP HH2 1 80 TRP HB3 4.000 . 4.750 3.922 3.681 4.053 . 0 0 "[ . 1 . 2]" 1
1370 1 39 TRP HH2 1 80 TRP HB2 4.000 . 4.750 3.027 2.717 3.235 . 0 0 "[ . 1 . 2]" 1
1371 1 40 ALA H 1 49 VAL HA 5.000 . 6.000 5.173 4.973 5.430 . 0 0 "[ . 1 . 2]" 1
1372 1 40 ALA HA 1 49 VAL H 5.000 . 6.000 5.127 4.934 5.316 . 0 0 "[ . 1 . 2]" 1
1373 1 40 ALA HA 1 49 VAL HA 3.000 . 3.500 2.453 2.211 2.703 . 0 0 "[ . 1 . 2]" 1
1374 1 40 ALA HA 1 49 VAL MG1 5.000 . 6.000 3.424 3.179 3.752 . 0 0 "[ . 1 . 2]" 1
1375 1 40 ALA HA 1 49 VAL MG2 4.000 . 4.750 4.024 3.633 4.342 . 0 0 "[ . 1 . 2]" 1
1376 1 40 ALA MB 1 49 VAL HA 5.000 . 6.000 3.055 2.838 3.327 . 0 0 "[ . 1 . 2]" 1
1377 1 40 ALA MB 1 49 VAL MG2 4.000 . 4.750 3.157 2.683 3.534 . 0 0 "[ . 1 . 2]" 1
1378 1 40 ALA HA 1 50 GLY H 4.000 . 4.750 2.704 2.460 2.820 . 0 0 "[ . 1 . 2]" 1
1379 1 40 ALA MB 1 50 GLY H 5.000 . 6.000 3.944 3.786 4.103 . 0 0 "[ . 1 . 2]" 1
1380 1 40 ALA H 1 71 THR HA 5.000 . 6.000 4.415 4.167 4.907 . 0 0 "[ . 1 . 2]" 1
1381 1 40 ALA H 1 71 THR MG 5.000 . 6.000 5.004 4.619 5.425 . 0 0 "[ . 1 . 2]" 1
1382 1 40 ALA H 1 72 VAL H 3.000 . 3.500 2.931 2.784 3.252 . 0 0 "[ . 1 . 2]" 1
1383 1 40 ALA H 1 72 VAL MG1 4.000 . 4.750 3.068 2.869 3.231 . 0 0 "[ . 1 . 2]" 1
1384 1 40 ALA H 1 72 VAL MG2 5.000 . 6.000 4.748 4.649 4.803 . 0 0 "[ . 1 . 2]" 1
1385 1 40 ALA HA 1 72 VAL H 5.000 . 6.000 4.864 4.726 4.987 . 0 0 "[ . 1 . 2]" 1
1386 1 40 ALA HA 1 72 VAL MG1 5.000 . 6.000 4.604 4.355 4.794 . 0 0 "[ . 1 . 2]" 1
1387 1 40 ALA MB 1 72 VAL H 5.000 . 6.000 3.896 3.646 4.113 . 0 0 "[ . 1 . 2]" 1
1388 1 40 ALA MB 1 72 VAL MG1 4.000 . 4.750 2.697 2.357 2.957 . 0 0 "[ . 1 . 2]" 1
1389 1 40 ALA MB 1 72 VAL MG2 5.000 . 6.000 4.547 4.241 4.794 . 0 0 "[ . 1 . 2]" 1
1390 1 40 ALA H 1 73 ASN HA 4.000 . 4.750 3.358 3.054 3.510 . 0 0 "[ . 1 . 2]" 1
1391 1 40 ALA H 1 74 LEU H 4.000 . 4.750 4.062 3.522 4.320 . 0 0 "[ . 1 . 2]" 1
1392 1 40 ALA H 1 74 LEU HG 4.000 . 4.750 3.763 3.267 4.156 . 0 0 "[ . 1 . 2]" 1
1393 1 40 ALA H 1 74 LEU MD1 5.000 . 6.000 3.730 3.176 4.196 . 0 0 "[ . 1 . 2]" 1
1394 1 40 ALA H 1 74 LEU MD2 5.000 . 6.000 4.530 4.219 4.875 . 0 0 "[ . 1 . 2]" 1
1395 1 40 ALA HA 1 74 LEU MD2 5.000 . 6.000 4.864 4.330 5.224 . 0 0 "[ . 1 . 2]" 1
1396 1 40 ALA MB 1 74 LEU MD1 4.000 . 4.750 2.233 1.942 2.570 . 0 0 "[ . 1 . 2]" 1
1397 1 40 ALA MB 1 74 LEU MD2 3.000 . 3.500 2.396 1.984 2.636 . 0 0 "[ . 1 . 2]" 1
1398 1 41 CYS H 1 48 TYR H 5.000 . 6.000 3.654 3.365 4.088 . 0 0 "[ . 1 . 2]" 1
1399 1 41 CYS HB3 1 48 TYR H 4.000 . 4.750 2.459 2.293 2.702 . 0 0 "[ . 1 . 2]" 1
1400 1 41 CYS HB3 1 48 TYR QB 3.000 . 3.500 3.515 3.508 3.521 0.021 17 0 "[ . 1 . 2]" 1
1401 1 41 CYS HB2 1 48 TYR H 4.000 . 4.750 3.141 2.929 3.443 . 0 0 "[ . 1 . 2]" 1
1402 1 41 CYS HB2 1 48 TYR QB 4.000 . 4.750 2.983 2.824 3.253 . 0 0 "[ . 1 . 2]" 1
1403 1 41 CYS H 1 49 VAL HA 4.000 . 4.750 3.484 3.188 3.728 . 0 0 "[ . 1 . 2]" 1
1404 1 41 CYS HB3 1 62 HIS HD2 5.000 . 6.000 5.598 5.398 5.724 . 0 0 "[ . 1 . 2]" 1
1405 1 41 CYS HB3 1 62 HIS HE1 5.000 . 6.000 5.022 4.874 5.214 . 0 0 "[ . 1 . 2]" 1
1406 1 41 CYS HB2 1 62 HIS HD2 5.000 . 6.000 4.123 3.872 4.267 . 0 0 "[ . 1 . 2]" 1
1407 1 41 CYS HB2 1 62 HIS HE1 5.000 . 6.000 4.202 4.074 4.375 . 0 0 "[ . 1 . 2]" 1
1408 1 41 CYS HA 1 71 THR HA 3.000 . 3.500 2.930 2.820 3.031 . 0 0 "[ . 1 . 2]" 1
1409 1 41 CYS HA 1 71 THR MG 5.000 . 6.000 5.147 4.940 5.306 . 0 0 "[ . 1 . 2]" 1
1410 1 41 CYS HB2 1 71 THR HA 5.000 . 6.000 5.410 5.316 5.496 . 0 0 "[ . 1 . 2]" 1
1411 1 41 CYS H 1 72 VAL H 5.000 . 6.000 5.058 4.911 5.167 . 0 0 "[ . 1 . 2]" 1
1412 1 41 CYS HA 1 72 VAL H 5.000 . 6.000 4.036 3.883 4.116 . 0 0 "[ . 1 . 2]" 1
1413 1 42 LEU H 1 70 LEU H 5.000 . 6.000 4.557 4.450 4.686 . 0 0 "[ . 1 . 2]" 1
1414 1 42 LEU H 1 70 LEU HB3 4.000 . 4.750 3.852 3.579 4.014 . 0 0 "[ . 1 . 2]" 1
1415 1 42 LEU HB3 1 70 LEU H 5.000 . 6.000 4.590 4.346 4.854 . 0 0 "[ . 1 . 2]" 1
1416 1 42 LEU HB2 1 70 LEU H 5.000 . 6.000 5.331 5.192 5.587 . 0 0 "[ . 1 . 2]" 1
1417 1 42 LEU HB2 1 70 LEU HA 5.000 . 6.000 4.413 4.223 4.737 . 0 0 "[ . 1 . 2]" 1
1418 1 42 LEU QD 1 70 LEU HA 5.000 . 6.000 3.783 3.593 4.054 . 0 0 "[ . 1 . 2]" 1
1419 1 42 LEU QD 1 70 LEU HB3 4.000 . 4.750 1.978 1.875 2.140 . 0 0 "[ . 1 . 2]" 1
1420 1 42 LEU H 1 71 THR HA 3.000 . 3.500 2.794 2.541 3.028 . 0 0 "[ . 1 . 2]" 1
1421 1 42 LEU H 1 71 THR MG 5.000 . 6.000 5.325 5.133 5.494 . 0 0 "[ . 1 . 2]" 1
1422 1 42 LEU HB3 1 71 THR H 4.000 . 4.750 4.615 4.383 4.762 0.012 16 0 "[ . 1 . 2]" 1
1423 1 42 LEU HB3 1 71 THR HA 5.000 . 6.000 4.170 3.849 4.446 . 0 0 "[ . 1 . 2]" 1
1424 1 42 LEU HB2 1 71 THR HA 3.000 . 3.500 3.027 2.794 3.229 . 0 0 "[ . 1 . 2]" 1
1425 1 42 LEU QD 1 71 THR H 5.000 . 6.000 3.956 3.713 4.201 . 0 0 "[ . 1 . 2]" 1
1426 1 42 LEU QD 1 71 THR HA 5.000 . 6.000 3.967 3.799 4.144 . 0 0 "[ . 1 . 2]" 1
1427 1 42 LEU H 1 72 VAL H 4.000 . 4.750 4.029 3.864 4.215 . 0 0 "[ . 1 . 2]" 1
1428 1 42 LEU H 1 72 VAL MG1 5.000 . 6.000 4.316 4.062 4.497 . 0 0 "[ . 1 . 2]" 1
1429 1 42 LEU HA 1 72 VAL MG1 5.000 . 6.000 3.151 2.947 3.355 . 0 0 "[ . 1 . 2]" 1
1430 1 42 LEU HB2 1 72 VAL H 3.000 . 3.500 3.507 3.485 3.518 0.018 14 0 "[ . 1 . 2]" 1
1431 1 42 LEU QD 1 72 VAL H 4.000 . 4.750 3.604 3.183 3.868 . 0 0 "[ . 1 . 2]" 1
1432 1 42 LEU QD 1 72 VAL HA 5.000 . 6.000 3.951 3.707 4.328 . 0 0 "[ . 1 . 2]" 1
1433 1 42 LEU QD 1 72 VAL HB 2.500 . 2.800 2.087 1.886 2.530 . 0 0 "[ . 1 . 2]" 1
1434 1 42 LEU QD 1 79 VAL HA 5.000 . 6.000 3.777 3.366 4.041 . 0 0 "[ . 1 . 2]" 1
1435 1 42 LEU QD 1 80 TRP H 5.000 . 6.000 4.097 3.902 4.316 . 0 0 "[ . 1 . 2]" 1
1436 1 42 LEU QD 1 91 ASP H 5.000 . 6.000 5.322 4.110 6.003 0.003 6 0 "[ . 1 . 2]" 1
1437 1 43 GLU H 1 68 HIS HB2 5.000 . 6.000 5.465 5.250 5.609 . 0 0 "[ . 1 . 2]" 1
1438 1 43 GLU QB 1 68 HIS HD2 4.000 . 4.750 4.351 3.947 4.631 . 0 0 "[ . 1 . 2]" 1
1439 1 43 GLU QB 1 68 HIS HE1 3.000 . 3.500 3.504 3.490 3.510 0.010 10 0 "[ . 1 . 2]" 1
1440 1 43 GLU QG 1 68 HIS HD2 4.000 . 4.750 3.770 3.012 4.629 . 0 0 "[ . 1 . 2]" 1
1441 1 43 GLU QG 1 68 HIS HE1 4.000 . 4.750 3.430 3.083 3.887 . 0 0 "[ . 1 . 2]" 1
1442 1 43 GLU H 1 70 LEU H 5.000 . 6.000 5.173 4.994 5.342 . 0 0 "[ . 1 . 2]" 1
1443 1 46 CYS HB2 1 62 HIS HE1 5.000 . 6.000 5.300 5.223 5.388 . 0 0 "[ . 1 . 2]" 1
1444 1 46 CYS HA 1 68 HIS HE1 4.000 . 4.750 4.314 4.149 4.465 . 0 0 "[ . 1 . 2]" 1
1445 1 46 CYS HB3 1 68 HIS HE1 3.000 . 3.500 3.374 3.251 3.478 . 0 0 "[ . 1 . 2]" 1
1446 1 46 CYS HB2 1 68 HIS HE1 4.000 . 4.750 2.250 2.155 2.313 . 0 0 "[ . 1 . 2]" 1
1447 1 48 TYR H 1 62 HIS HE1 5.000 . 6.000 4.335 3.964 4.902 . 0 0 "[ . 1 . 2]" 1
1448 1 48 TYR QB 1 62 HIS HD1 5.000 . 6.000 3.167 2.806 3.514 . 0 0 "[ . 1 . 2]" 1
1449 1 48 TYR QB 1 62 HIS HD2 5.000 . 6.000 4.822 4.449 5.122 . 0 0 "[ . 1 . 2]" 1
1450 1 48 TYR QB 1 62 HIS HE1 3.000 . 3.500 2.292 2.060 2.732 . 0 0 "[ . 1 . 2]" 1
1451 1 50 GLY QA 1 58 HIS HB3 5.000 . 6.000 2.630 2.374 2.830 . 0 0 "[ . 1 . 2]" 1
1452 1 50 GLY QA 1 58 HIS HB2 4.000 . 4.750 3.262 3.094 3.378 . 0 0 "[ . 1 . 2]" 1
1453 1 50 GLY QA 1 59 SER H 5.000 . 6.000 3.779 3.617 3.966 . 0 0 "[ . 1 . 2]" 1
1454 1 51 CYS HB3 1 56 VAL H 5.000 . 6.000 4.753 4.629 4.960 . 0 0 "[ . 1 . 2]" 1
1455 1 51 CYS H 1 58 HIS H 5.000 . 6.000 3.634 3.490 3.781 . 0 0 "[ . 1 . 2]" 1
1456 1 51 CYS H 1 58 HIS HB3 4.000 . 4.750 2.653 2.375 2.907 . 0 0 "[ . 1 . 2]" 1
1457 1 51 CYS H 1 58 HIS HB2 4.000 . 4.750 1.920 1.864 1.974 . 0 0 "[ . 1 . 2]" 1
1458 1 51 CYS H 1 59 SER H 5.000 . 6.000 3.601 3.486 3.710 . 0 0 "[ . 1 . 2]" 1
1459 1 52 GLY QA 1 57 ASP H 5.000 . 6.000 3.918 3.715 4.197 . 0 0 "[ . 1 . 2]" 1
1460 1 52 GLY QA 1 57 ASP HA 5.000 . 6.000 2.780 2.412 3.188 . 0 0 "[ . 1 . 2]" 1
1461 1 59 SER QB 1 82 TYR QE 4.000 . 4.750 3.215 2.730 3.767 . 0 0 "[ . 1 . 2]" 1
1462 1 60 THR HA 1 82 TYR QE 4.000 . 4.750 2.866 2.375 3.295 . 0 0 "[ . 1 . 2]" 1
1463 1 60 THR HB 1 82 TYR QE 4.000 . 4.750 4.758 4.747 4.769 0.019 16 0 "[ . 1 . 2]" 1
1464 1 60 THR MG 1 82 TYR QE 4.000 . 4.750 3.258 2.261 3.918 . 0 0 "[ . 1 . 2]" 1
1465 1 62 HIS HD2 1 68 HIS HB2 2.500 . 2.800 2.655 2.593 2.771 . 0 0 "[ . 1 . 2]" 1
1466 1 62 HIS HE1 1 68 HIS HB2 5.000 . 6.000 5.785 5.681 5.919 . 0 0 "[ . 1 . 2]" 1
1467 1 62 HIS HE1 1 68 HIS HE1 4.000 . 4.750 4.601 4.477 4.662 . 0 0 "[ . 1 . 2]" 1
1468 1 63 SER HA 1 68 HIS H 3.000 . 3.500 2.737 2.667 2.850 . 0 0 "[ . 1 . 2]" 1
1469 1 63 SER HA 1 68 HIS HB3 4.000 . 4.750 3.842 3.771 3.899 . 0 0 "[ . 1 . 2]" 1
1470 1 63 SER HA 1 68 HIS HB2 3.000 . 3.500 2.377 2.312 2.403 . 0 0 "[ . 1 . 2]" 1
1471 1 63 SER HA 1 69 TYR QD 5.000 . 6.000 5.051 4.860 5.727 . 0 0 "[ . 1 . 2]" 1
1472 1 63 SER HG 1 69 TYR QD 4.000 . 4.750 2.468 2.074 3.525 . 0 0 "[ . 1 . 2]" 1
1473 1 63 SER HG 1 69 TYR QE 5.000 . 6.000 3.705 3.228 4.533 . 0 0 "[ . 1 . 2]" 1
1474 1 63 SER QB 1 69 TYR QD 4.000 . 4.750 3.969 3.735 4.703 . 0 0 "[ . 1 . 2]" 1
1475 1 63 SER H 1 82 TYR QE 4.000 . 4.750 4.437 4.042 4.756 0.006 9 0 "[ . 1 . 2]" 1
1476 1 63 SER HG 1 82 TYR QD 4.000 . 4.750 3.126 2.002 3.756 . 0 0 "[ . 1 . 2]" 1
1477 1 63 SER QB 1 82 TYR QE 3.000 . 3.500 2.570 2.218 2.865 . 0 0 "[ . 1 . 2]" 1
1478 1 64 GLN HA 1 69 TYR QE 4.000 . 4.750 3.350 3.131 4.185 . 0 0 "[ . 1 . 2]" 1
1479 1 64 GLN HE22 1 69 TYR HA 4.000 . 4.750 4.777 4.761 4.789 0.039 10 0 "[ . 1 . 2]" 1
1480 1 69 TYR HB3 1 81 CYS HA 5.000 . 6.000 4.065 3.927 4.138 . 0 0 "[ . 1 . 2]" 1
1481 1 69 TYR QD 1 81 CYS HA 5.000 . 6.000 5.820 5.655 5.896 . 0 0 "[ . 1 . 2]" 1
1482 1 69 TYR HA 1 82 TYR H 5.000 . 6.000 3.445 3.358 3.533 . 0 0 "[ . 1 . 2]" 1
1483 1 69 TYR HA 1 82 TYR HB3 4.000 . 4.750 3.954 3.741 4.051 . 0 0 "[ . 1 . 2]" 1
1484 1 69 TYR HA 1 82 TYR HB2 3.000 . 3.500 2.414 2.242 2.496 . 0 0 "[ . 1 . 2]" 1
1485 1 69 TYR HA 1 82 TYR QD 4.000 . 4.750 2.172 2.015 2.725 . 0 0 "[ . 1 . 2]" 1
1486 1 69 TYR HB3 1 82 TYR H 4.000 . 4.750 2.573 2.508 2.778 . 0 0 "[ . 1 . 2]" 1
1487 1 69 TYR HB2 1 82 TYR H 4.000 . 4.750 3.690 3.585 4.143 . 0 0 "[ . 1 . 2]" 1
1488 1 69 TYR QD 1 82 TYR H 4.000 . 4.750 4.411 4.112 4.461 . 0 0 "[ . 1 . 2]" 1
1489 1 69 TYR QD 1 82 TYR HA 5.000 . 6.000 5.163 4.745 5.258 . 0 0 "[ . 1 . 2]" 1
1490 1 69 TYR QD 1 82 TYR HB3 3.000 . 3.500 3.005 2.700 3.167 . 0 0 "[ . 1 . 2]" 1
1491 1 69 TYR QD 1 82 TYR HB2 3.000 . 3.500 2.526 2.495 2.547 . 0 0 "[ . 1 . 2]" 1
1492 1 69 TYR QD 1 82 TYR QD 4.000 . 4.750 3.531 3.198 4.126 . 0 0 "[ . 1 . 2]" 1
1493 1 69 TYR QE 1 82 TYR HB3 5.000 . 6.000 4.711 4.361 4.876 . 0 0 "[ . 1 . 2]" 1
1494 1 69 TYR QE 1 82 TYR HB2 4.000 . 4.750 4.766 4.755 4.773 0.023 14 0 "[ . 1 . 2]" 1
1495 1 69 TYR H 1 83 ALA MB 5.000 . 6.000 4.863 4.738 4.953 . 0 0 "[ . 1 . 2]" 1
1496 1 69 TYR HB3 1 83 ALA H 3.000 . 3.500 1.854 1.807 1.898 . 0 0 "[ . 1 . 2]" 1
1497 1 69 TYR HB3 1 83 ALA MB 4.000 . 4.750 2.929 2.697 2.982 . 0 0 "[ . 1 . 2]" 1
1498 1 69 TYR HB2 1 83 ALA H 4.000 . 4.750 2.921 2.796 3.410 . 0 0 "[ . 1 . 2]" 1
1499 1 69 TYR HB2 1 83 ALA MB 5.000 . 6.000 2.921 2.821 3.107 . 0 0 "[ . 1 . 2]" 1
1500 1 69 TYR QD 1 83 ALA H 4.000 . 4.750 3.633 2.817 3.740 . 0 0 "[ . 1 . 2]" 1
1501 1 69 TYR QD 1 83 ALA HA 5.000 . 6.000 4.350 3.439 4.486 . 0 0 "[ . 1 . 2]" 1
1502 1 69 TYR QD 1 83 ALA MB 4.000 . 4.750 2.781 2.618 2.881 . 0 0 "[ . 1 . 2]" 1
1503 1 69 TYR QE 1 83 ALA H 5.000 . 6.000 5.236 4.776 5.338 . 0 0 "[ . 1 . 2]" 1
1504 1 69 TYR QE 1 83 ALA HA 5.000 . 6.000 4.970 4.068 5.150 . 0 0 "[ . 1 . 2]" 1
1505 1 69 TYR QE 1 83 ALA MB 4.000 . 4.750 3.668 3.476 3.804 . 0 0 "[ . 1 . 2]" 1
1506 1 69 TYR HB3 1 84 CYS H 5.000 . 6.000 4.538 4.304 4.591 . 0 0 "[ . 1 . 2]" 1
1507 1 69 TYR QD 1 84 CYS H 5.000 . 6.000 5.640 5.262 5.742 . 0 0 "[ . 1 . 2]" 1
1508 1 70 LEU HA 1 79 VAL MG1 5.000 . 6.000 3.642 3.510 3.788 . 0 0 "[ . 1 . 2]" 1
1509 1 70 LEU HB3 1 79 VAL MG1 5.000 . 6.000 3.329 3.135 3.554 . 0 0 "[ . 1 . 2]" 1
1510 1 70 LEU HA 1 80 TRP H 5.000 . 6.000 4.268 4.153 4.474 . 0 0 "[ . 1 . 2]" 1
1511 1 70 LEU MD1 1 80 TRP H 5.000 . 6.000 4.154 3.483 4.578 . 0 0 "[ . 1 . 2]" 1
1512 1 70 LEU HA 1 81 CYS HA 3.000 . 3.500 3.004 2.922 3.101 . 0 0 "[ . 1 . 2]" 1
1513 1 70 LEU HA 1 81 CYS HB2 5.000 . 6.000 4.755 4.679 4.877 . 0 0 "[ . 1 . 2]" 1
1514 1 70 LEU HG 1 81 CYS HA 5.000 . 6.000 5.388 5.052 5.729 . 0 0 "[ . 1 . 2]" 1
1515 1 70 LEU MD1 1 81 CYS HA 5.000 . 6.000 2.490 2.021 2.913 . 0 0 "[ . 1 . 2]" 1
1516 1 70 LEU MD1 1 81 CYS HB3 5.000 . 6.000 4.157 3.840 4.433 . 0 0 "[ . 1 . 2]" 1
1517 1 70 LEU MD1 1 81 CYS HB2 4.000 . 4.750 2.923 2.647 3.160 . 0 0 "[ . 1 . 2]" 1
1518 1 70 LEU MD2 1 81 CYS HA 4.000 . 4.750 3.499 2.636 3.815 . 0 0 "[ . 1 . 2]" 1
1519 1 70 LEU MD2 1 81 CYS HB3 5.000 . 6.000 5.321 4.460 5.630 . 0 0 "[ . 1 . 2]" 1
1520 1 70 LEU MD2 1 81 CYS HB2 4.000 . 4.750 4.487 3.583 4.761 0.011 13 0 "[ . 1 . 2]" 1
1521 1 70 LEU H 1 82 TYR H 5.000 . 6.000 4.877 4.762 5.020 . 0 0 "[ . 1 . 2]" 1
1522 1 70 LEU HA 1 82 TYR H 4.000 . 4.750 3.855 3.733 3.997 . 0 0 "[ . 1 . 2]" 1
1523 1 70 LEU HA 1 82 TYR QD 5.000 . 6.000 4.696 4.373 5.118 . 0 0 "[ . 1 . 2]" 1
1524 1 70 LEU HA 1 82 TYR QE 5.000 . 6.000 5.684 5.356 6.002 0.002 3 0 "[ . 1 . 2]" 1
1525 1 70 LEU MD1 1 82 TYR H 5.000 . 6.000 3.931 3.516 4.365 . 0 0 "[ . 1 . 2]" 1
1526 1 70 LEU MD2 1 82 TYR H 5.000 . 6.000 4.001 3.500 4.335 . 0 0 "[ . 1 . 2]" 1
1527 1 70 LEU MD2 1 84 CYS H 5.000 . 6.000 5.328 4.794 5.573 . 0 0 "[ . 1 . 2]" 1
1528 1 70 LEU HA 1 88 VAL MG2 5.000 . 6.000 4.438 4.192 4.608 . 0 0 "[ . 1 . 2]" 1
1529 1 71 THR H 1 79 VAL MG1 5.000 . 6.000 3.143 3.021 3.263 . 0 0 "[ . 1 . 2]" 1
1530 1 71 THR HA 1 79 VAL MG1 5.000 . 6.000 4.250 4.079 4.401 . 0 0 "[ . 1 . 2]" 1
1531 1 71 THR MG 1 79 VAL HA 5.000 . 6.000 4.447 4.180 4.686 . 0 0 "[ . 1 . 2]" 1
1532 1 71 THR H 1 80 TRP H 4.000 . 4.750 2.810 2.699 2.942 . 0 0 "[ . 1 . 2]" 1
1533 1 71 THR H 1 80 TRP HD1 5.000 . 6.000 4.347 4.243 4.500 . 0 0 "[ . 1 . 2]" 1
1534 1 71 THR MG 1 80 TRP H 4.000 . 4.750 3.066 2.877 3.198 . 0 0 "[ . 1 . 2]" 1
1535 1 71 THR MG 1 80 TRP HA 5.000 . 6.000 4.369 4.292 4.474 . 0 0 "[ . 1 . 2]" 1
1536 1 71 THR MG 1 80 TRP HB3 4.000 . 4.750 1.974 1.877 2.194 . 0 0 "[ . 1 . 2]" 1
1537 1 71 THR MG 1 80 TRP HB2 4.000 . 4.750 3.338 3.164 3.595 . 0 0 "[ . 1 . 2]" 1
1538 1 71 THR MG 1 80 TRP HD1 5.000 . 6.000 2.639 2.383 2.860 . 0 0 "[ . 1 . 2]" 1
1539 1 71 THR H 1 81 CYS HA 4.000 . 4.750 4.032 3.959 4.120 . 0 0 "[ . 1 . 2]" 1
1540 1 71 THR MG 1 81 CYS HA 5.000 . 6.000 4.518 4.225 4.748 . 0 0 "[ . 1 . 2]" 1
1541 1 71 THR H 1 82 TYR H 5.000 . 6.000 4.737 4.568 4.861 . 0 0 "[ . 1 . 2]" 1
1542 1 71 THR H 1 82 TYR QE 5.000 . 6.000 5.018 4.602 5.444 . 0 0 "[ . 1 . 2]" 1
1543 1 71 THR HA 1 82 TYR QE 5.000 . 6.000 5.529 5.033 5.977 . 0 0 "[ . 1 . 2]" 1
1544 1 71 THR HB 1 82 TYR QE 4.000 . 4.750 3.220 2.709 3.695 . 0 0 "[ . 1 . 2]" 1
1545 1 71 THR MG 1 82 TYR H 5.000 . 6.000 4.369 4.141 4.607 . 0 0 "[ . 1 . 2]" 1
1546 1 71 THR MG 1 82 TYR QD 5.000 . 6.000 3.531 3.244 3.858 . 0 0 "[ . 1 . 2]" 1
1547 1 71 THR MG 1 82 TYR QE 3.000 . 3.500 2.548 2.026 3.094 . 0 0 "[ . 1 . 2]" 1
1548 1 71 THR H 1 88 VAL MG2 5.000 . 6.000 4.739 4.397 4.952 . 0 0 "[ . 1 . 2]" 1
1549 1 72 VAL MG1 1 77 LEU HA 5.000 . 6.000 4.733 4.434 4.896 . 0 0 "[ . 1 . 2]" 1
1550 1 72 VAL MG2 1 77 LEU H 4.000 . 4.750 4.139 4.004 4.354 . 0 0 "[ . 1 . 2]" 1
1551 1 72 VAL MG2 1 77 LEU HA 3.000 . 3.500 2.976 2.682 3.212 . 0 0 "[ . 1 . 2]" 1
1552 1 72 VAL MG2 1 78 ARG H 5.000 . 6.000 3.117 2.880 3.307 . 0 0 "[ . 1 . 2]" 1
1553 1 72 VAL HA 1 79 VAL HA 3.000 . 3.500 2.054 1.978 2.145 . 0 0 "[ . 1 . 2]" 1
1554 1 72 VAL HA 1 79 VAL MG1 5.000 . 6.000 3.342 3.225 3.557 . 0 0 "[ . 1 . 2]" 1
1555 1 72 VAL HA 1 79 VAL MG2 5.000 . 6.000 3.415 3.172 3.689 . 0 0 "[ . 1 . 2]" 1
1556 1 72 VAL HB 1 79 VAL HA 4.000 . 4.750 2.976 2.733 3.320 . 0 0 "[ . 1 . 2]" 1
1557 1 72 VAL HB 1 79 VAL MG1 4.000 . 4.750 2.759 2.448 3.072 . 0 0 "[ . 1 . 2]" 1
1558 1 72 VAL HB 1 79 VAL MG2 4.000 . 4.750 2.323 1.972 2.700 . 0 0 "[ . 1 . 2]" 1
1559 1 72 VAL MG1 1 79 VAL HA 5.000 . 6.000 4.355 4.218 4.572 . 0 0 "[ . 1 . 2]" 1
1560 1 72 VAL MG2 1 79 VAL H 5.000 . 6.000 3.582 3.278 3.944 . 0 0 "[ . 1 . 2]" 1
1561 1 72 VAL MG2 1 79 VAL HA 5.000 . 6.000 2.748 2.408 3.060 . 0 0 "[ . 1 . 2]" 1
1562 1 72 VAL MG2 1 79 VAL MG2 5.000 . 6.000 2.028 1.816 2.320 . 0 0 "[ . 1 . 2]" 1
1563 1 72 VAL HA 1 80 TRP H 4.000 . 4.750 3.333 3.168 3.474 . 0 0 "[ . 1 . 2]" 1
1564 1 72 VAL HB 1 80 TRP H 5.000 . 6.000 4.372 4.177 4.720 . 0 0 "[ . 1 . 2]" 1
1565 1 72 VAL MG2 1 80 TRP H 5.000 . 6.000 4.615 4.336 4.870 . 0 0 "[ . 1 . 2]" 1
1566 1 73 ASN H 1 78 ARG H 5.000 . 6.000 3.370 3.257 3.513 . 0 0 "[ . 1 . 2]" 1
1567 1 73 ASN QB 1 78 ARG H 4.000 . 4.750 4.020 3.887 4.125 . 0 0 "[ . 1 . 2]" 1
1568 1 73 ASN H 1 79 VAL HA 5.000 . 6.000 3.556 3.432 3.743 . 0 0 "[ . 1 . 2]" 1
1569 1 79 VAL H 1 87 GLU QG 5.000 . 6.000 4.911 3.313 6.010 0.010 6 0 "[ . 1 . 2]" 1
1570 1 79 VAL HA 1 88 VAL MG2 5.000 . 6.000 4.250 3.823 4.726 . 0 0 "[ . 1 . 2]" 1
1571 1 79 VAL HB 1 88 VAL H 3.000 . 3.500 3.396 3.249 3.507 0.007 5 0 "[ . 1 . 2]" 1
1572 1 79 VAL HB 1 88 VAL MG2 5.000 . 6.000 2.342 1.986 2.913 . 0 0 "[ . 1 . 2]" 1
1573 1 79 VAL MG1 1 88 VAL H 5.000 . 6.000 3.723 3.500 4.100 . 0 0 "[ . 1 . 2]" 1
1574 1 79 VAL MG1 1 88 VAL HA 5.000 . 6.000 5.307 5.088 5.565 . 0 0 "[ . 1 . 2]" 1
1575 1 79 VAL MG1 1 88 VAL MG2 5.000 . 6.000 2.114 1.834 2.503 . 0 0 "[ . 1 . 2]" 1
1576 1 79 VAL MG2 1 88 VAL H 5.000 . 6.000 4.830 4.704 4.917 . 0 0 "[ . 1 . 2]" 1
1577 1 79 VAL HB 1 89 PHE HA 5.000 . 6.000 3.228 2.935 3.477 . 0 0 "[ . 1 . 2]" 1
1578 1 79 VAL MG2 1 89 PHE QD 5.000 . 6.000 5.645 5.393 5.999 . 0 0 "[ . 1 . 2]" 1
1579 1 79 VAL HB 1 90 LEU H 4.000 . 4.750 4.046 3.266 4.643 . 0 0 "[ . 1 . 2]" 1
1580 1 80 TRP HE1 1 85 SER H 5.000 . 6.000 4.963 4.602 5.320 . 0 0 "[ . 1 . 2]" 1
1581 1 80 TRP HE1 1 85 SER HA 4.000 . 4.750 3.843 3.438 4.272 . 0 0 "[ . 1 . 2]" 1
1582 1 80 TRP HZ2 1 85 SER HA 3.000 . 3.500 3.395 3.104 3.504 0.004 1 0 "[ . 1 . 2]" 1
1583 1 80 TRP HZ2 1 85 SER QB 4.000 . 4.750 4.367 3.881 4.755 0.005 16 0 "[ . 1 . 2]" 1
1584 1 80 TRP HH2 1 85 SER HA 5.000 . 6.000 5.029 4.802 5.274 . 0 0 "[ . 1 . 2]" 1
1585 1 80 TRP HH2 1 85 SER QB 5.000 . 6.000 5.325 4.894 5.735 . 0 0 "[ . 1 . 2]" 1
1586 1 80 TRP HE3 1 86 LYS HA 4.000 . 4.750 4.380 4.280 4.472 . 0 0 "[ . 1 . 2]" 1
1587 1 80 TRP HZ2 1 86 LYS H 5.000 . 6.000 3.880 3.705 4.067 . 0 0 "[ . 1 . 2]" 1
1588 1 80 TRP HZ2 1 86 LYS HA 4.000 . 4.750 3.547 3.306 3.777 . 0 0 "[ . 1 . 2]" 1
1589 1 80 TRP HH2 1 86 LYS H 5.000 . 6.000 4.548 4.331 4.779 . 0 0 "[ . 1 . 2]" 1
1590 1 80 TRP HH2 1 86 LYS HA 3.000 . 3.500 2.505 2.390 2.636 . 0 0 "[ . 1 . 2]" 1
1591 1 80 TRP HH2 1 86 LYS QB 4.000 . 4.750 4.140 4.070 4.265 . 0 0 "[ . 1 . 2]" 1
1592 1 80 TRP HH2 1 86 LYS QG 5.000 . 6.000 5.533 5.330 5.658 . 0 0 "[ . 1 . 2]" 1
1593 1 80 TRP HA 1 87 GLU QB 5.000 . 6.000 3.803 3.346 4.500 . 0 0 "[ . 1 . 2]" 1
1594 1 80 TRP HA 1 87 GLU QG 5.000 . 6.000 4.130 2.604 5.131 . 0 0 "[ . 1 . 2]" 1
1595 1 80 TRP HE3 1 87 GLU HA 4.000 . 4.750 2.388 2.057 2.628 . 0 0 "[ . 1 . 2]" 1
1596 1 80 TRP HE3 1 87 GLU QG 4.000 . 4.750 3.275 1.972 4.267 . 0 0 "[ . 1 . 2]" 1
1597 1 80 TRP HZ3 1 87 GLU H 4.000 . 4.750 2.855 2.443 3.175 . 0 0 "[ . 1 . 2]" 1
1598 1 80 TRP HZ3 1 87 GLU QB 3.000 . 3.500 2.491 2.236 2.710 . 0 0 "[ . 1 . 2]" 1
1599 1 80 TRP HZ3 1 87 GLU QG 4.000 . 4.750 3.668 3.054 4.145 . 0 0 "[ . 1 . 2]" 1
1600 1 80 TRP HH2 1 87 GLU H 4.000 . 4.750 4.117 3.823 4.266 . 0 0 "[ . 1 . 2]" 1
1601 1 80 TRP HH2 1 87 GLU HA 5.000 . 6.000 5.454 5.222 5.616 . 0 0 "[ . 1 . 2]" 1
1602 1 80 TRP HH2 1 87 GLU QB 4.000 . 4.750 4.697 4.509 4.757 0.007 12 0 "[ . 1 . 2]" 1
1603 1 80 TRP HH2 1 87 GLU QG 5.000 . 6.000 5.575 4.997 6.003 0.003 11 0 "[ . 1 . 2]" 1
1604 1 80 TRP H 1 88 VAL MG2 5.000 . 6.000 3.586 3.185 3.898 . 0 0 "[ . 1 . 2]" 1
1605 1 80 TRP HA 1 88 VAL H 4.000 . 4.750 2.628 2.348 2.941 . 0 0 "[ . 1 . 2]" 1
1606 1 80 TRP HA 1 88 VAL HB 5.000 . 6.000 5.789 5.359 6.007 0.007 6 0 "[ . 1 . 2]" 1
1607 1 80 TRP HA 1 88 VAL MG1 5.000 . 6.000 4.309 4.046 4.629 . 0 0 "[ . 1 . 2]" 1
1608 1 80 TRP HA 1 88 VAL MG2 5.000 . 6.000 2.965 2.635 3.117 . 0 0 "[ . 1 . 2]" 1
1609 1 80 TRP HE3 1 88 VAL H 4.000 . 4.750 4.325 3.941 4.577 . 0 0 "[ . 1 . 2]" 1
1610 1 81 CYS H 1 86 LYS H 3.000 . 3.500 3.280 3.169 3.361 . 0 0 "[ . 1 . 2]" 1
1611 1 81 CYS HB3 1 86 LYS H 4.000 . 4.750 3.102 2.926 3.240 . 0 0 "[ . 1 . 2]" 1
1612 1 81 CYS HB2 1 86 LYS H 5.000 . 6.000 4.646 4.412 4.777 . 0 0 "[ . 1 . 2]" 1
1613 1 81 CYS H 1 87 GLU HA 4.000 . 4.750 2.950 2.836 3.214 . 0 0 "[ . 1 . 2]" 1
1614 1 81 CYS H 1 88 VAL MG1 4.000 . 4.750 3.619 3.364 3.932 . 0 0 "[ . 1 . 2]" 1
1615 1 81 CYS H 1 88 VAL MG2 5.000 . 6.000 3.027 2.734 3.372 . 0 0 "[ . 1 . 2]" 1
1616 1 81 CYS HA 1 88 VAL MG1 5.000 . 6.000 4.492 4.207 4.782 . 0 0 "[ . 1 . 2]" 1
1617 1 81 CYS HA 1 88 VAL MG2 5.000 . 6.000 3.598 3.426 3.772 . 0 0 "[ . 1 . 2]" 1
1618 1 81 CYS HB3 1 88 VAL MG1 4.000 . 4.750 2.818 2.453 3.011 . 0 0 "[ . 1 . 2]" 1
1619 1 81 CYS HB3 1 88 VAL MG2 5.000 . 6.000 3.371 3.098 3.583 . 0 0 "[ . 1 . 2]" 1
1620 1 81 CYS HB2 1 88 VAL MG1 4.000 . 4.750 2.315 1.958 2.700 . 0 0 "[ . 1 . 2]" 1
1621 1 81 CYS HB2 1 88 VAL MG2 4.000 . 4.750 2.078 1.920 2.282 . 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 18
_Distance_constraint_stats_list.Viol_count 279
_Distance_constraint_stats_list.Viol_total 75.208
_Distance_constraint_stats_list.Viol_max 0.040
_Distance_constraint_stats_list.Viol_rms 0.0094
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0104
_Distance_constraint_stats_list.Viol_average_violations_only 0.0135
_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 6 CYS 0.872 0.033 8 0 "[ . 1 . 2]"
1 8 HIS 0.898 0.033 1 0 "[ . 1 . 2]"
1 28 CYS 0.367 0.022 3 0 "[ . 1 . 2]"
1 31 CYS 0.370 0.025 14 0 "[ . 1 . 2]"
1 41 CYS 0.374 0.022 16 0 "[ . 1 . 2]"
1 46 CYS 0.365 0.024 3 0 "[ . 1 . 2]"
1 51 CYS 0.460 0.025 14 0 "[ . 1 . 2]"
1 58 HIS 0.277 0.022 3 0 "[ . 1 . 2]"
1 62 HIS 0.408 0.021 10 0 "[ . 1 . 2]"
1 68 HIS 0.755 0.024 3 0 "[ . 1 . 2]"
1 81 CYS 0.936 0.040 20 0 "[ . 1 . 2]"
1 84 CYS 1.438 0.040 20 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 28 CYS SG 1 31 CYS SG 3.750 3.550 3.950 3.726 3.544 3.927 0.006 2 0 "[ . 1 . 2]" 2
2 1 28 CYS SG 1 51 CYS SG 3.750 3.550 3.950 3.947 3.860 3.963 0.013 16 0 "[ . 1 . 2]" 2
3 1 28 CYS SG 1 58 HIS ND1 3.450 3.250 3.650 3.662 3.654 3.672 0.022 3 0 "[ . 1 . 2]" 2
4 1 31 CYS SG 1 51 CYS SG 3.750 3.550 3.950 3.967 3.946 3.975 0.025 14 0 "[ . 1 . 2]" 2
5 1 31 CYS SG 1 58 HIS ND1 3.450 3.250 3.650 3.527 3.250 3.663 0.013 16 0 "[ . 1 . 2]" 2
6 1 51 CYS SG 1 58 HIS ND1 3.450 3.250 3.650 3.380 3.240 3.586 0.010 14 0 "[ . 1 . 2]" 2
7 1 41 CYS SG 1 46 CYS SG 3.750 3.550 3.950 3.946 3.885 3.964 0.014 17 0 "[ . 1 . 2]" 2
8 1 41 CYS SG 1 62 HIS NE2 3.450 3.250 3.650 3.654 3.650 3.660 0.010 8 0 "[ . 1 . 2]" 2
9 1 41 CYS SG 1 68 HIS ND1 3.450 3.250 3.650 3.239 3.228 3.245 0.022 16 0 "[ . 1 . 2]" 2
10 1 46 CYS SG 1 62 HIS NE2 3.450 3.250 3.650 3.647 3.616 3.658 0.008 3 0 "[ . 1 . 2]" 2
11 1 46 CYS SG 1 68 HIS ND1 3.450 3.250 3.650 3.663 3.651 3.674 0.024 3 0 "[ . 1 . 2]" 2
12 1 62 HIS NE2 1 68 HIS ND1 3.150 2.950 3.350 3.364 3.360 3.371 0.021 10 0 "[ . 1 . 2]" 2
13 1 6 CYS SG 1 81 CYS SG 3.750 3.550 3.950 3.537 3.521 3.548 0.029 6 0 "[ . 1 . 2]" 2
14 1 6 CYS SG 1 84 CYS SG 3.750 3.550 3.950 3.964 3.896 3.983 0.033 8 0 "[ . 1 . 2]" 2
15 1 6 CYS SG 1 8 HIS ND1 3.450 3.250 3.650 3.236 3.226 3.242 0.024 16 0 "[ . 1 . 2]" 2
16 1 81 CYS SG 1 84 CYS SG 3.750 3.550 3.950 3.979 3.972 3.990 0.040 20 0 "[ . 1 . 2]" 2
17 1 8 HIS ND1 1 81 CYS SG 3.450 3.250 3.650 3.283 3.235 3.385 0.015 4 0 "[ . 1 . 2]" 2
18 1 8 HIS ND1 1 84 CYS SG 3.450 3.250 3.650 3.677 3.670 3.683 0.033 1 0 "[ . 1 . 2]" 2
stop_
save_
save_distance_constraint_statistics_3
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 3
_Distance_constraint_stats_list.Constraint_count 69
_Distance_constraint_stats_list.Viol_count 489
_Distance_constraint_stats_list.Viol_total 226.172
_Distance_constraint_stats_list.Viol_max 0.091
_Distance_constraint_stats_list.Viol_rms 0.0163
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0082
_Distance_constraint_stats_list.Viol_average_violations_only 0.0231
_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 6 CYS 0.643 0.042 6 0 "[ . 1 . 2]"
1 10 ASP 0.643 0.042 6 0 "[ . 1 . 2]"
1 16 THR 0.174 0.025 8 0 "[ . 1 . 2]"
1 17 LYS 0.006 0.004 3 0 "[ . 1 . 2]"
1 20 LEU 0.174 0.025 8 0 "[ . 1 . 2]"
1 21 ILE 0.006 0.004 3 0 "[ . 1 . 2]"
1 26 GLY 0.064 0.018 4 0 "[ . 1 . 2]"
1 29 GLN 0.060 0.010 8 0 "[ . 1 . 2]"
1 35 GLY 0.064 0.018 4 0 "[ . 1 . 2]"
1 38 LEU 0.530 0.033 5 0 "[ . 1 . 2]"
1 39 TRP 0.055 0.013 8 0 "[ . 1 . 2]"
1 40 ALA 0.109 0.010 19 0 "[ . 1 . 2]"
1 41 CYS 0.077 0.024 3 0 "[ . 1 . 2]"
1 42 LEU 0.147 0.026 3 0 "[ . 1 . 2]"
1 48 TYR 0.077 0.024 3 0 "[ . 1 . 2]"
1 49 VAL 0.060 0.010 8 0 "[ . 1 . 2]"
1 50 GLY 0.055 0.013 8 0 "[ . 1 . 2]"
1 51 CYS 2.763 0.067 12 0 "[ . 1 . 2]"
1 52 GLY 0.025 0.006 13 0 "[ . 1 . 2]"
1 57 ASP 0.857 0.034 18 0 "[ . 1 . 2]"
1 58 HIS 2.271 0.067 12 0 "[ . 1 . 2]"
1 59 SER 0.958 0.034 12 0 "[ . 1 . 2]"
1 60 THR 0.987 0.034 18 0 "[ . 1 . 2]"
1 61 ILE 0.313 0.027 8 0 "[ . 1 . 2]"
1 62 HIS 0.031 0.012 13 0 "[ . 1 . 2]"
1 63 SER 2.287 0.091 10 0 "[ . 1 . 2]"
1 64 GLN 1.215 0.063 13 0 "[ . 1 . 2]"
1 65 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 66 THR 0.025 0.012 13 0 "[ . 1 . 2]"
1 67 LYS 0.749 0.063 13 0 "[ . 1 . 2]"
1 68 HIS 1.827 0.091 10 0 "[ . 1 . 2]"
1 69 TYR 0.012 0.006 13 0 "[ . 1 . 2]"
1 70 LEU 0.147 0.026 3 0 "[ . 1 . 2]"
1 71 THR 1.152 0.048 6 0 "[ . 1 . 2]"
1 72 VAL 0.109 0.010 19 0 "[ . 1 . 2]"
1 73 ASN 0.782 0.061 14 0 "[ . 1 . 2]"
1 74 LEU 0.311 0.033 5 0 "[ . 1 . 2]"
1 75 THR 0.219 0.026 8 0 "[ . 1 . 2]"
1 77 LEU 0.715 0.061 14 0 "[ . 1 . 2]"
1 78 ARG 0.068 0.015 18 0 "[ . 1 . 2]"
1 79 VAL 0.008 0.003 12 0 "[ . 1 . 2]"
1 80 TRP 1.152 0.048 6 0 "[ . 1 . 2]"
1 81 CYS 0.337 0.025 12 0 "[ . 1 . 2]"
1 82 TYR 0.012 0.006 13 0 "[ . 1 . 2]"
1 85 SER 0.000 0.000 14 0 "[ . 1 . 2]"
1 86 LYS 0.336 0.025 12 0 "[ . 1 . 2]"
1 88 VAL 0.008 0.003 12 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 6 CYS O 1 10 ASP H 1.950 . 2.100 2.132 2.124 2.142 0.042 6 0 "[ . 1 . 2]" 3
2 1 6 CYS O 1 10 ASP N 2.900 2.700 3.100 2.976 2.938 3.023 . 0 0 "[ . 1 . 2]" 3
3 1 16 THR O 1 20 LEU H 1.950 . 2.100 2.106 2.065 2.125 0.025 8 0 "[ . 1 . 2]" 3
4 1 16 THR O 1 20 LEU N 2.900 2.700 3.100 3.060 3.011 3.094 . 0 0 "[ . 1 . 2]" 3
5 1 17 LYS O 1 21 ILE H 1.950 . 2.100 1.912 1.817 2.101 0.001 20 0 "[ . 1 . 2]" 3
6 1 17 LYS O 1 21 ILE N 2.900 2.700 3.100 2.772 2.696 2.927 0.004 3 0 "[ . 1 . 2]" 3
7 1 29 GLN H 1 49 VAL O 1.950 . 2.100 2.051 1.814 2.107 0.007 8 0 "[ . 1 . 2]" 3
8 1 29 GLN N 1 49 VAL O 2.900 2.700 3.100 2.932 2.703 3.016 . 0 0 "[ . 1 . 2]" 3
9 1 26 GLY O 1 35 GLY H 1.950 . 2.100 1.957 1.782 2.113 0.018 4 0 "[ . 1 . 2]" 3
10 1 26 GLY O 1 35 GLY N 2.900 2.700 3.100 2.841 2.727 3.011 . 0 0 "[ . 1 . 2]" 3
11 1 38 LEU H 1 75 THR OG1 1.950 . 2.100 2.111 2.102 2.126 0.026 8 0 "[ . 1 . 2]" 3
12 1 38 LEU N 1 75 THR OG1 2.900 2.700 3.100 3.004 2.931 3.043 . 0 0 "[ . 1 . 2]" 3
13 1 39 TRP H 1 50 GLY O 1.950 . 2.100 2.053 1.964 2.108 0.008 18 0 "[ . 1 . 2]" 3
14 1 39 TRP N 1 50 GLY O 2.900 2.700 3.100 2.841 2.777 2.947 . 0 0 "[ . 1 . 2]" 3
15 1 40 ALA H 1 72 VAL O 1.950 . 2.100 2.088 1.976 2.110 0.010 19 0 "[ . 1 . 2]" 3
16 1 40 ALA N 1 72 VAL O 2.900 2.700 3.100 2.971 2.867 3.082 . 0 0 "[ . 1 . 2]" 3
17 1 41 CYS H 1 48 TYR O 1.950 . 2.100 2.035 1.850 2.124 0.024 3 0 "[ . 1 . 2]" 3
18 1 41 CYS N 1 48 TYR O 2.900 2.700 3.100 3.003 2.808 3.105 0.005 3 0 "[ . 1 . 2]" 3
19 1 42 LEU H 1 70 LEU O 1.950 . 2.100 2.078 1.973 2.126 0.026 3 0 "[ . 1 . 2]" 3
20 1 42 LEU N 1 70 LEU O 2.900 2.700 3.100 3.026 2.924 3.089 . 0 0 "[ . 1 . 2]" 3
21 1 29 GLN OE1 1 49 VAL H 1.950 . 2.100 2.093 1.950 2.110 0.010 8 0 "[ . 1 . 2]" 3
22 1 29 GLN OE1 1 49 VAL N 2.900 2.700 3.100 2.840 2.698 3.006 0.002 1 0 "[ . 1 . 2]" 3
23 1 39 TRP O 1 50 GLY H 1.950 . 2.100 2.004 1.815 2.113 0.013 8 0 "[ . 1 . 2]" 3
24 1 39 TRP O 1 50 GLY N 2.900 2.700 3.100 2.870 2.720 2.991 . 0 0 "[ . 1 . 2]" 3
25 1 52 GLY O 1 57 ASP H 1.950 . 2.100 1.897 1.829 2.032 . 0 0 "[ . 1 . 2]" 3
26 1 52 GLY O 1 57 ASP N 2.900 2.700 3.100 2.710 2.694 2.763 0.006 13 0 "[ . 1 . 2]" 3
27 1 51 CYS O 1 58 HIS H 1.950 . 2.100 2.158 2.152 2.167 0.067 12 0 "[ . 1 . 2]" 3
28 1 51 CYS O 1 58 HIS N 2.900 2.700 3.100 2.645 2.638 2.654 0.062 1 0 "[ . 1 . 2]" 3
29 1 51 CYS O 1 59 SER H 1.950 . 2.100 2.125 2.117 2.134 0.034 12 0 "[ . 1 . 2]" 3
30 1 51 CYS O 1 59 SER N 2.900 2.700 3.100 3.069 3.048 3.087 . 0 0 "[ . 1 . 2]" 3
31 1 57 ASP O 1 60 THR H 1.950 . 2.100 2.126 2.119 2.134 0.034 18 0 "[ . 1 . 2]" 3
32 1 57 ASP O 1 60 THR N 2.900 2.700 3.100 2.830 2.820 2.839 . 0 0 "[ . 1 . 2]" 3
33 1 57 ASP O 1 61 ILE H 1.950 . 2.100 2.114 2.076 2.127 0.027 8 0 "[ . 1 . 2]" 3
34 1 57 ASP O 1 61 ILE N 2.900 2.700 3.100 3.073 3.035 3.087 . 0 0 "[ . 1 . 2]" 3
35 1 58 HIS O 1 62 HIS H 1.950 . 2.100 1.834 1.794 1.892 0.006 13 0 "[ . 1 . 2]" 3
36 1 58 HIS O 1 62 HIS N 2.900 2.700 3.100 2.800 2.756 2.864 . 0 0 "[ . 1 . 2]" 3
37 1 59 SER O 1 63 SER H 1.950 . 2.100 2.123 2.115 2.130 0.030 18 0 "[ . 1 . 2]" 3
38 1 59 SER O 1 63 SER N 2.900 2.700 3.100 2.940 2.901 2.968 . 0 0 "[ . 1 . 2]" 3
39 1 60 THR O 1 64 GLN H 1.950 . 2.100 2.123 2.117 2.131 0.031 10 0 "[ . 1 . 2]" 3
40 1 60 THR O 1 64 GLN N 2.900 2.700 3.100 3.024 3.008 3.040 . 0 0 "[ . 1 . 2]" 3
41 1 61 ILE O 1 65 GLU H 1.950 . 2.100 1.973 1.901 2.069 . 0 0 "[ . 1 . 2]" 3
42 1 61 ILE O 1 65 GLU N 2.900 2.700 3.100 2.952 2.881 3.049 . 0 0 "[ . 1 . 2]" 3
43 1 62 HIS O 1 66 THR H 1.950 . 2.100 2.081 2.049 2.112 0.012 13 0 "[ . 1 . 2]" 3
44 1 62 HIS O 1 66 THR N 2.900 2.700 3.100 3.051 3.021 3.076 . 0 0 "[ . 1 . 2]" 3
45 1 64 GLN O 1 67 LYS H 1.950 . 2.100 2.137 2.129 2.163 0.063 13 0 "[ . 1 . 2]" 3
46 1 64 GLN O 1 67 LYS N 2.900 2.700 3.100 3.033 3.017 3.053 . 0 0 "[ . 1 . 2]" 3
47 1 63 SER O 1 68 HIS H 1.950 . 2.100 2.106 2.078 2.124 0.024 9 0 "[ . 1 . 2]" 3
48 1 63 SER O 1 68 HIS N 2.900 2.700 3.100 2.617 2.609 2.627 0.091 10 0 "[ . 1 . 2]" 3
49 1 71 THR H 1 80 TRP O 1.950 . 2.100 2.136 2.123 2.148 0.048 6 0 "[ . 1 . 2]" 3
50 1 71 THR N 1 80 TRP O 2.900 2.700 3.100 3.102 3.085 3.109 0.009 20 0 "[ . 1 . 2]" 3
51 1 40 ALA O 1 72 VAL H 1.950 . 2.100 1.988 1.808 2.107 0.007 5 0 "[ . 1 . 2]" 3
52 1 40 ALA O 1 72 VAL N 2.900 2.700 3.100 2.963 2.781 3.084 . 0 0 "[ . 1 . 2]" 3
53 1 73 ASN H 1 78 ARG O 1.950 . 2.100 2.043 1.894 2.115 0.015 18 0 "[ . 1 . 2]" 3
54 1 73 ASN N 1 78 ARG O 2.900 2.700 3.100 2.889 2.756 2.985 . 0 0 "[ . 1 . 2]" 3
55 1 38 LEU O 1 74 LEU H 1.950 . 2.100 2.113 2.050 2.133 0.033 5 0 "[ . 1 . 2]" 3
56 1 38 LEU O 1 74 LEU N 2.900 2.700 3.100 2.943 2.885 3.002 . 0 0 "[ . 1 . 2]" 3
57 1 73 ASN O 1 77 LEU H 1.950 . 2.100 1.969 1.909 2.067 . 0 0 "[ . 1 . 2]" 3
58 1 73 ASN O 1 77 LEU N 2.900 2.700 3.100 2.664 2.639 2.682 0.061 14 0 "[ . 1 . 2]" 3
59 1 73 ASN OD1 1 78 ARG H 1.950 . 2.100 1.954 1.793 2.110 0.010 10 0 "[ . 1 . 2]" 3
60 1 73 ASN OD1 1 78 ARG N 2.900 2.700 3.100 2.889 2.708 3.057 . 0 0 "[ . 1 . 2]" 3
61 1 71 THR O 1 80 TRP H 1.950 . 2.100 1.833 1.795 1.899 0.005 6 0 "[ . 1 . 2]" 3
62 1 71 THR O 1 80 TRP N 2.900 2.700 3.100 2.683 2.672 2.692 0.028 20 0 "[ . 1 . 2]" 3
63 1 81 CYS H 1 86 LYS O 1.950 . 2.100 1.846 1.792 1.982 0.008 3 0 "[ . 1 . 2]" 3
64 1 81 CYS N 1 86 LYS O 2.900 2.700 3.100 2.794 2.736 2.931 . 0 0 "[ . 1 . 2]" 3
65 1 69 TYR O 1 82 TYR H 1.950 . 2.100 2.007 1.853 2.106 0.006 13 0 "[ . 1 . 2]" 3
66 1 69 TYR O 1 82 TYR N 2.900 2.700 3.100 2.938 2.801 3.019 . 0 0 "[ . 1 . 2]" 3
67 1 81 CYS O 1 85 SER H 1.950 . 2.100 2.063 2.031 2.100 0.000 14 0 "[ . 1 . 2]" 3
68 1 81 CYS O 1 86 LYS H 1.950 . 2.100 2.116 2.112 2.125 0.025 12 0 "[ . 1 . 2]" 3
69 1 79 VAL O 1 88 VAL N 2.900 2.700 3.100 2.967 2.697 3.103 0.003 12 0 "[ . 1 . 2]" 3
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