NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | in_recoord | stage | program | type | subtype | subsubtype |
|
|
382168 |
1je4   |
5073 | cing | recoord | 4-filtered-FRED | Wattos | check | violation | distance |
data_1je4
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 838
_Distance_constraint_stats_list.Viol_count 16
_Distance_constraint_stats_list.Viol_total 0.075
_Distance_constraint_stats_list.Viol_max 0.038
_Distance_constraint_stats_list.Viol_rms 0.0014
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0001
_Distance_constraint_stats_list.Viol_average_violations_only 0.0047
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 2 PRO 0.000 0.000 . 0 "[ ]"
1 3 MET 0.055 0.038 1 0 "[ ]"
1 4 GLY 0.000 0.000 . 0 "[ ]"
1 5 SER 0.000 0.000 . 0 "[ ]"
1 6 ASP 0.000 0.000 . 0 "[ ]"
1 8 PRO 0.004 0.004 1 0 "[ ]"
1 9 THR 0.001 0.001 1 0 "[ ]"
1 10 ALA 0.000 0.000 1 0 "[ ]"
1 11 CYS 0.000 0.000 . 0 "[ ]"
1 12 CYS 0.002 0.001 1 0 "[ ]"
1 13 ALA 0.001 0.001 1 0 "[ ]"
1 14 SER 0.000 0.000 . 0 "[ ]"
1 15 TYR 0.004 0.002 1 0 "[ ]"
1 16 THR 0.002 0.002 1 0 "[ ]"
1 17 ALA 0.000 0.000 . 0 "[ ]"
1 18 ARG 0.000 0.000 . 0 "[ ]"
1 19 LYS 0.003 0.003 1 0 "[ ]"
1 20 LEU 0.000 0.000 . 0 "[ ]"
1 21 PRO 0.000 0.000 . 0 "[ ]"
1 22 ARG 0.000 0.000 . 0 "[ ]"
1 23 ASN 0.000 0.000 . 0 "[ ]"
1 24 PHE 0.000 0.000 . 0 "[ ]"
1 25 VAL 0.000 0.000 . 0 "[ ]"
1 26 VAL 0.000 0.000 . 0 "[ ]"
1 27 ASP 0.000 0.000 . 0 "[ ]"
1 28 TYR 0.000 0.000 . 0 "[ ]"
1 29 TYR 0.000 0.000 1 0 "[ ]"
1 30 GLU 0.000 0.000 1 0 "[ ]"
1 31 THR 0.000 0.000 . 0 "[ ]"
1 32 SER 0.000 0.000 . 0 "[ ]"
1 33 SER 0.000 0.000 . 0 "[ ]"
1 34 LEU 0.001 0.001 1 0 "[ ]"
1 35 CYS 0.000 0.000 . 0 "[ ]"
1 36 SER 0.000 0.000 . 0 "[ ]"
1 37 GLN 0.000 0.000 . 0 "[ ]"
1 38 PRO 0.000 0.000 . 0 "[ ]"
1 39 ALA 0.000 0.000 . 0 "[ ]"
1 40 VAL 0.000 0.000 . 0 "[ ]"
1 41 VAL 0.001 0.001 1 0 "[ ]"
1 42 PHE 0.000 0.000 . 0 "[ ]"
1 43 GLN 0.001 0.001 1 0 "[ ]"
1 44 THR 0.000 0.000 . 0 "[ ]"
1 45 LYS 0.000 0.000 . 0 "[ ]"
1 46 ARG 0.000 0.000 . 0 "[ ]"
1 47 SER 0.000 0.000 . 0 "[ ]"
1 48 LYS 0.003 0.003 1 0 "[ ]"
1 49 GLN 0.001 0.001 1 0 "[ ]"
1 50 VAL 0.000 0.000 . 0 "[ ]"
1 51 CYS 0.002 0.001 1 0 "[ ]"
1 52 ALA 0.000 0.000 . 0 "[ ]"
1 53 ASP 0.000 0.000 . 0 "[ ]"
1 54 PRO 0.000 0.000 . 0 "[ ]"
1 55 SER 0.000 0.000 . 0 "[ ]"
1 56 GLU 0.001 0.001 1 0 "[ ]"
1 57 SER 0.000 0.000 . 0 "[ ]"
1 58 TRP 0.003 0.003 1 0 "[ ]"
1 59 VAL 0.000 0.000 . 0 "[ ]"
1 60 GLN 0.000 0.000 . 0 "[ ]"
1 61 GLU 0.000 0.000 . 0 "[ ]"
1 62 TYR 0.000 0.000 . 0 "[ ]"
1 63 VAL 0.000 0.000 . 0 "[ ]"
1 64 TYR 0.000 0.000 . 0 "[ ]"
1 65 ASP 0.000 0.000 . 0 "[ ]"
1 66 LEU 0.000 0.000 . 0 "[ ]"
1 67 GLU 0.000 0.000 . 0 "[ ]"
1 68 LEU 0.000 0.000 . 0 "[ ]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 2 PRO HB3 1 2 PRO HG2 2.500 . 2.700 2.661 2.661 2.661 . 0 0 "[ ]" 1
2 1 2 PRO HB3 1 2 PRO HD2 4.000 . 5.000 3.912 3.912 3.912 . 0 0 "[ ]" 1
3 1 2 PRO HB2 1 2 PRO HG2 2.500 . 2.700 2.328 2.328 2.328 . 0 0 "[ ]" 1
4 1 2 PRO HB2 1 3 MET HB2 4.000 . 5.000 4.478 4.478 4.478 . 0 0 "[ ]" 1
5 1 2 PRO HB3 1 2 PRO HG3 2.500 . 2.700 2.319 2.319 2.319 . 0 0 "[ ]" 1
6 1 2 PRO HD2 1 2 PRO HG3 3.000 . 3.300 2.985 2.985 2.985 . 0 0 "[ ]" 1
7 1 2 PRO HD3 1 2 PRO HG3 2.500 . 2.700 2.305 2.305 2.305 . 0 0 "[ ]" 1
8 1 2 PRO HD2 1 2 PRO HG2 2.500 . 2.700 2.307 2.307 2.307 . 0 0 "[ ]" 1
9 1 2 PRO HA 1 2 PRO HD3 4.000 . 5.000 3.648 3.648 3.648 . 0 0 "[ ]" 1
10 1 2 PRO HB2 1 2 PRO HD3 4.000 . 5.000 3.874 3.874 3.874 . 0 0 "[ ]" 1
11 1 2 PRO HB2 1 2 PRO HD2 3.000 . 3.300 2.976 2.976 2.976 . 0 0 "[ ]" 1
12 1 3 MET HB3 1 3 MET HG2 3.000 . 3.300 2.904 2.904 2.904 . 0 0 "[ ]" 1
13 1 3 MET HB2 1 3 MET HG2 3.000 . 3.300 2.750 2.750 2.750 . 0 0 "[ ]" 1
14 1 2 PRO HB2 1 3 MET HG3 4.000 . 5.000 3.881 3.881 3.881 . 0 0 "[ ]" 1
15 1 3 MET HB3 1 3 MET HG3 2.500 . 2.700 2.738 2.738 2.738 0.038 1 0 "[ ]" 1
16 1 5 SER HA 1 6 ASP QB 4.000 . 5.500 5.241 5.241 5.241 . 0 0 "[ ]" 1
17 1 8 PRO HB2 1 8 PRO HG2 2.500 . 2.700 2.323 2.323 2.323 . 0 0 "[ ]" 1
18 1 8 PRO HA 1 8 PRO HB2 2.500 . 2.700 2.704 2.704 2.704 0.004 1 0 "[ ]" 1
19 1 8 PRO HD2 1 8 PRO HG3 3.000 . 3.300 2.712 2.712 2.712 . 0 0 "[ ]" 1
20 1 8 PRO HD3 1 8 PRO HG3 2.500 . 2.700 2.303 2.303 2.303 . 0 0 "[ ]" 1
21 1 8 PRO HD2 1 8 PRO HG2 2.500 . 2.700 2.303 2.303 2.303 . 0 0 "[ ]" 1
22 1 8 PRO HA 1 9 THR HA 4.000 . 5.000 4.375 4.375 4.375 . 0 0 "[ ]" 1
23 1 11 CYS HA 1 11 CYS HB2 3.000 . 3.300 3.015 3.015 3.015 . 0 0 "[ ]" 1
24 1 11 CYS HA 1 12 CYS HA 4.000 . 5.000 4.534 4.534 4.534 . 0 0 "[ ]" 1
25 1 12 CYS HA 1 12 CYS HB2 2.500 . 2.700 2.701 2.701 2.701 0.001 1 0 "[ ]" 1
26 1 15 TYR HA 1 15 TYR HB2 3.000 . 3.300 3.013 3.013 3.013 . 0 0 "[ ]" 1
27 1 16 THR HA 1 16 THR HG1 3.000 . 3.800 2.603 2.603 2.603 . 0 0 "[ ]" 1
28 1 16 THR HA 1 17 ALA MB 4.000 . 5.500 3.908 3.908 3.908 . 0 0 "[ ]" 1
29 1 17 ALA HA 1 18 ARG QG 4.000 . 5.500 4.600 4.600 4.600 . 0 0 "[ ]" 1
30 1 17 ALA HA 1 18 ARG HA 4.000 . 5.000 4.365 4.365 4.365 . 0 0 "[ ]" 1
31 1 17 ALA MB 1 18 ARG HA 4.000 . 5.500 4.291 4.291 4.291 . 0 0 "[ ]" 1
32 1 18 ARG HA 1 18 ARG QG 2.500 . 3.200 2.203 2.203 2.203 . 0 0 "[ ]" 1
33 1 18 ARG HA 1 18 ARG HB2 3.000 . 3.300 3.006 3.006 3.006 . 0 0 "[ ]" 1
34 1 18 ARG HB2 1 18 ARG QD 3.000 . 3.800 2.640 2.640 2.640 . 0 0 "[ ]" 1
35 1 18 ARG HB3 1 18 ARG QD 3.000 . 3.800 2.229 2.229 2.229 . 0 0 "[ ]" 1
36 1 18 ARG HA 1 18 ARG QD 4.000 . 5.500 3.654 3.654 3.654 . 0 0 "[ ]" 1
37 1 19 LYS HA 1 19 LYS HG2 3.000 . 3.300 2.942 2.942 2.942 . 0 0 "[ ]" 1
38 1 19 LYS HA 1 19 LYS HG3 3.000 . 3.300 2.688 2.688 2.688 . 0 0 "[ ]" 1
39 1 19 LYS HA 1 19 LYS HB2 2.500 . 2.700 2.468 2.468 2.468 . 0 0 "[ ]" 1
40 1 19 LYS HB3 1 19 LYS HG2 2.500 . 2.700 2.532 2.532 2.532 . 0 0 "[ ]" 1
41 1 19 LYS HB3 1 19 LYS HG3 3.000 . 3.300 3.002 3.002 3.002 . 0 0 "[ ]" 1
42 1 19 LYS HB3 1 19 LYS HD3 2.500 . 2.700 2.342 2.342 2.342 . 0 0 "[ ]" 1
43 1 19 LYS HB3 1 19 LYS HD2 3.000 . 3.300 2.970 2.970 2.970 . 0 0 "[ ]" 1
44 1 18 ARG HB3 1 19 LYS HB3 4.000 . 5.000 4.450 4.450 4.450 . 0 0 "[ ]" 1
45 1 19 LYS HB2 1 19 LYS HG2 3.000 . 3.300 3.003 3.003 3.003 . 0 0 "[ ]" 1
46 1 19 LYS HB2 1 19 LYS HD2 3.000 . 3.300 2.674 2.674 2.674 . 0 0 "[ ]" 1
47 1 19 LYS HB2 1 19 LYS HD3 3.000 . 3.300 3.142 3.142 3.142 . 0 0 "[ ]" 1
48 1 18 ARG HB3 1 19 LYS HB2 4.000 . 5.000 4.888 4.888 4.888 . 0 0 "[ ]" 1
49 1 19 LYS HD2 1 19 LYS HG3 2.500 . 2.700 2.411 2.411 2.411 . 0 0 "[ ]" 1
50 1 19 LYS HD2 1 19 LYS HG2 3.000 . 3.300 3.016 3.016 3.016 . 0 0 "[ ]" 1
51 1 19 LYS HD3 1 19 LYS HG3 3.000 . 3.300 3.017 3.017 3.017 . 0 0 "[ ]" 1
52 1 19 LYS HD3 1 19 LYS QE 2.500 . 3.200 2.377 2.377 2.377 . 0 0 "[ ]" 1
53 1 21 PRO HA 1 22 ARG QB 4.000 . 5.500 4.550 4.550 4.550 . 0 0 "[ ]" 1
54 1 21 PRO HB3 1 21 PRO HG3 2.500 . 2.700 2.321 2.321 2.321 . 0 0 "[ ]" 1
55 1 21 PRO HB3 1 21 PRO HG2 2.500 . 2.700 2.659 2.659 2.659 . 0 0 "[ ]" 1
56 1 21 PRO HB3 1 21 PRO HD2 4.000 . 5.000 3.925 3.925 3.925 . 0 0 "[ ]" 1
57 1 21 PRO HB2 1 21 PRO HG2 2.500 . 2.700 2.329 2.329 2.329 . 0 0 "[ ]" 1
58 1 21 PRO HB2 1 21 PRO HD3 4.000 . 5.000 3.871 3.871 3.871 . 0 0 "[ ]" 1
59 1 21 PRO HD3 1 21 PRO HG3 2.500 . 2.700 2.300 2.300 2.300 . 0 0 "[ ]" 1
60 1 21 PRO HD2 1 21 PRO HG3 3.000 . 3.300 2.980 2.980 2.980 . 0 0 "[ ]" 1
61 1 21 PRO HD2 1 21 PRO HG2 2.500 . 2.700 2.302 2.302 2.302 . 0 0 "[ ]" 1
62 1 21 PRO HA 1 21 PRO HG2 4.000 . 5.000 3.902 3.902 3.902 . 0 0 "[ ]" 1
63 1 20 LEU HA 1 21 PRO HD3 2.500 . 2.700 2.248 2.248 2.248 . 0 0 "[ ]" 1
64 1 21 PRO HB2 1 21 PRO HD2 3.000 . 3.300 2.991 2.991 2.991 . 0 0 "[ ]" 1
65 1 20 LEU HA 1 21 PRO HD2 2.500 . 2.700 2.288 2.288 2.288 . 0 0 "[ ]" 1
66 1 22 ARG HA 1 22 ARG HD3 4.000 . 5.000 4.867 4.867 4.867 . 0 0 "[ ]" 1
67 1 22 ARG QB 1 22 ARG HD2 2.500 . 3.200 2.274 2.274 2.274 . 0 0 "[ ]" 1
68 1 22 ARG QB 1 22 ARG HD3 2.500 . 3.200 2.457 2.457 2.457 . 0 0 "[ ]" 1
69 1 22 ARG HD2 1 22 ARG HG3 2.500 . 2.700 2.462 2.462 2.462 . 0 0 "[ ]" 1
70 1 22 ARG HD3 1 22 ARG HG3 3.000 . 3.300 3.017 3.017 3.017 . 0 0 "[ ]" 1
71 1 22 ARG HD2 1 22 ARG HG2 3.000 . 3.300 3.016 3.016 3.016 . 0 0 "[ ]" 1
72 1 22 ARG HG2 1 23 ASN HB2 4.000 . 5.000 4.987 4.987 4.987 . 0 0 "[ ]" 1
73 1 22 ARG HA 1 22 ARG HD2 4.000 . 5.000 4.641 4.641 4.641 . 0 0 "[ ]" 1
74 1 23 ASN HA 1 23 ASN HB2 2.500 . 2.700 2.647 2.647 2.647 . 0 0 "[ ]" 1
75 1 25 VAL HA 1 25 VAL MG2 2.500 . 3.200 2.384 2.384 2.384 . 0 0 "[ ]" 1
76 1 25 VAL HA 1 25 VAL MG1 2.500 . 3.200 2.209 2.209 2.209 . 0 0 "[ ]" 1
77 1 26 VAL MG1 1 27 ASP HA 4.000 . 5.500 3.987 3.987 3.987 . 0 0 "[ ]" 1
78 1 27 ASP HA 1 27 ASP HB2 3.000 . 3.300 2.998 2.998 2.998 . 0 0 "[ ]" 1
79 1 28 TYR HA 1 28 TYR HB2 2.500 . 2.700 2.503 2.503 2.503 . 0 0 "[ ]" 1
80 1 30 GLU HA 1 30 GLU HB2 3.000 . 3.300 2.971 2.971 2.971 . 0 0 "[ ]" 1
81 1 30 GLU HA 1 30 GLU HG3 2.500 . 2.700 2.219 2.219 2.219 . 0 0 "[ ]" 1
82 1 29 TYR HA 1 30 GLU HA 4.000 . 5.000 4.375 4.375 4.375 . 0 0 "[ ]" 1
83 1 30 GLU HB3 1 30 GLU HG3 2.500 . 2.700 2.579 2.579 2.579 . 0 0 "[ ]" 1
84 1 30 GLU HB3 1 30 GLU HG2 2.500 . 2.700 2.303 2.303 2.303 . 0 0 "[ ]" 1
85 1 30 GLU HB2 1 30 GLU HG2 2.500 . 2.700 2.572 2.572 2.572 . 0 0 "[ ]" 1
86 1 32 SER HA 1 32 SER HB2 2.500 . 2.700 2.508 2.508 2.508 . 0 0 "[ ]" 1
87 1 33 SER HA 1 33 SER HB2 2.500 . 2.700 2.629 2.629 2.629 . 0 0 "[ ]" 1
88 1 32 SER HA 1 33 SER HA 4.000 . 5.000 4.435 4.435 4.435 . 0 0 "[ ]" 1
89 1 34 LEU HA 1 34 LEU MD2 2.500 . 3.200 2.175 2.175 2.175 . 0 0 "[ ]" 1
90 1 34 LEU HA 1 34 LEU HG 3.000 . 3.300 2.625 2.625 2.625 . 0 0 "[ ]" 1
91 1 34 LEU QB 1 34 LEU MD2 2.500 . 3.700 2.170 2.170 2.170 . 0 0 "[ ]" 1
92 1 34 LEU QB 1 34 LEU MD1 2.500 . 3.700 2.050 2.050 2.050 . 0 0 "[ ]" 1
93 1 35 CYS HA 1 35 CYS HB2 3.000 . 3.300 3.005 3.005 3.005 . 0 0 "[ ]" 1
94 1 37 GLN HA 1 37 GLN HB2 2.500 . 2.700 2.517 2.517 2.517 . 0 0 "[ ]" 1
95 1 37 GLN HA 1 38 PRO HD3 2.500 . 2.700 2.398 2.398 2.398 . 0 0 "[ ]" 1
96 1 37 GLN HA 1 38 PRO HD2 2.500 . 2.700 2.344 2.344 2.344 . 0 0 "[ ]" 1
97 1 37 GLN HB3 1 37 GLN HG2 2.500 . 2.700 2.225 2.225 2.225 . 0 0 "[ ]" 1
98 1 37 GLN HB3 1 37 GLN HG3 3.000 . 3.300 2.910 2.910 2.910 . 0 0 "[ ]" 1
99 1 37 GLN HB3 1 38 PRO HD2 4.000 . 5.000 4.665 4.665 4.665 . 0 0 "[ ]" 1
100 1 37 GLN HB3 1 38 PRO HD3 4.000 . 5.000 4.661 4.661 4.661 . 0 0 "[ ]" 1
101 1 37 GLN HB2 1 37 GLN HG2 3.000 . 3.300 2.905 2.905 2.905 . 0 0 "[ ]" 1
102 1 37 GLN HB2 1 38 PRO HD2 4.000 . 5.000 4.280 4.280 4.280 . 0 0 "[ ]" 1
103 1 38 PRO HA 1 38 PRO HG2 4.000 . 5.000 3.918 3.918 3.918 . 0 0 "[ ]" 1
104 1 38 PRO HB3 1 38 PRO HG3 2.500 . 2.700 2.320 2.320 2.320 . 0 0 "[ ]" 1
105 1 38 PRO HB3 1 38 PRO HD2 4.000 . 5.000 3.913 3.913 3.913 . 0 0 "[ ]" 1
106 1 38 PRO HB3 1 38 PRO HD3 4.000 . 5.000 4.044 4.044 4.044 . 0 0 "[ ]" 1
107 1 38 PRO HB2 1 38 PRO HD3 4.000 . 5.000 3.873 3.873 3.873 . 0 0 "[ ]" 1
108 1 38 PRO HD2 1 38 PRO HG3 3.000 . 3.300 2.984 2.984 2.984 . 0 0 "[ ]" 1
109 1 38 PRO HD3 1 38 PRO HG3 2.500 . 2.700 2.305 2.305 2.305 . 0 0 "[ ]" 1
110 1 38 PRO HB3 1 38 PRO HG2 2.500 . 2.700 2.661 2.661 2.661 . 0 0 "[ ]" 1
111 1 38 PRO HD2 1 38 PRO HG2 2.500 . 2.700 2.306 2.306 2.306 . 0 0 "[ ]" 1
112 1 38 PRO HB2 1 38 PRO HD2 3.000 . 3.300 2.975 2.975 2.975 . 0 0 "[ ]" 1
113 1 37 GLN HB2 1 38 PRO HD3 4.000 . 5.000 4.672 4.672 4.672 . 0 0 "[ ]" 1
114 1 40 VAL HA 1 40 VAL MG1 2.500 . 3.200 2.379 2.379 2.379 . 0 0 "[ ]" 1
115 1 40 VAL HA 1 40 VAL MG2 2.500 . 3.200 2.330 2.330 2.330 . 0 0 "[ ]" 1
116 1 40 VAL HA 1 41 VAL HB 4.000 . 5.000 4.692 4.692 4.692 . 0 0 "[ ]" 1
117 1 40 VAL HA 1 41 VAL MG2 4.000 . 5.500 3.597 3.597 3.597 . 0 0 "[ ]" 1
118 1 40 VAL MG1 1 41 VAL HB 4.000 . 5.500 4.505 4.505 4.505 . 0 0 "[ ]" 1
119 1 40 VAL MG1 1 41 VAL MG2 4.000 . 6.000 4.342 4.342 4.342 . 0 0 "[ ]" 1
120 1 39 ALA HA 1 40 VAL MG2 4.000 . 5.500 3.642 3.642 3.642 . 0 0 "[ ]" 1
121 1 41 VAL HA 1 41 VAL MG1 2.500 . 3.200 2.336 2.336 2.336 . 0 0 "[ ]" 1
122 1 41 VAL HA 1 41 VAL MG2 2.500 . 3.200 2.434 2.434 2.434 . 0 0 "[ ]" 1
123 1 42 PHE HA 1 42 PHE HB2 3.000 . 3.300 2.978 2.978 2.978 . 0 0 "[ ]" 1
124 1 43 GLN HA 1 43 GLN HG2 2.500 . 2.700 2.189 2.189 2.189 . 0 0 "[ ]" 1
125 1 43 GLN QB 1 43 GLN HG2 2.500 . 3.200 2.453 2.453 2.453 . 0 0 "[ ]" 1
126 1 43 GLN HA 1 43 GLN HG3 3.000 . 3.300 3.056 3.056 3.056 . 0 0 "[ ]" 1
127 1 45 LYS HA 1 45 LYS HG2 2.500 . 2.700 2.330 2.330 2.330 . 0 0 "[ ]" 1
128 1 45 LYS HA 1 45 LYS HG3 3.000 . 3.300 3.108 3.108 3.108 . 0 0 "[ ]" 1
129 1 45 LYS HA 1 45 LYS HB2 3.000 . 3.300 3.010 3.010 3.010 . 0 0 "[ ]" 1
130 1 45 LYS HB3 1 45 LYS HG2 2.500 . 2.700 2.545 2.545 2.545 . 0 0 "[ ]" 1
131 1 45 LYS HB3 1 45 LYS HG3 3.000 . 3.300 2.998 2.998 2.998 . 0 0 "[ ]" 1
132 1 45 LYS HB2 1 45 LYS HG2 3.000 . 3.300 3.001 3.001 3.001 . 0 0 "[ ]" 1
133 1 45 LYS QD 1 45 LYS HG3 2.500 . 3.200 2.458 2.458 2.458 . 0 0 "[ ]" 1
134 1 45 LYS HA 1 45 LYS QD 4.000 . 5.500 3.832 3.832 3.832 . 0 0 "[ ]" 1
135 1 45 LYS QE 1 45 LYS HG3 3.000 . 3.800 2.274 2.274 2.274 . 0 0 "[ ]" 1
136 1 45 LYS HB2 1 45 LYS QE 3.000 . 3.800 3.711 3.711 3.711 . 0 0 "[ ]" 1
137 1 56 GLU HA 1 56 GLU HB2 3.000 . 3.300 3.022 3.022 3.022 . 0 0 "[ ]" 1
138 1 56 GLU HB2 1 56 GLU HG2 3.000 . 3.300 3.004 3.004 3.004 . 0 0 "[ ]" 1
139 1 46 ARG HA 1 46 ARG HG3 2.500 . 2.700 2.409 2.409 2.409 . 0 0 "[ ]" 1
140 1 45 LYS HB2 1 46 ARG HA 4.000 . 5.000 4.643 4.643 4.643 . 0 0 "[ ]" 1
141 1 46 ARG HA 1 46 ARG HB2 3.000 . 3.300 3.021 3.021 3.021 . 0 0 "[ ]" 1
142 1 46 ARG HA 1 47 SER HA 4.000 . 5.000 4.681 4.681 4.681 . 0 0 "[ ]" 1
143 1 46 ARG HB3 1 46 ARG HG2 2.500 . 2.700 2.211 2.211 2.211 . 0 0 "[ ]" 1
144 1 45 LYS HB2 1 46 ARG HB2 4.000 . 5.000 4.237 4.237 4.237 . 0 0 "[ ]" 1
145 1 46 ARG HB2 1 46 ARG HG2 3.000 . 3.300 2.855 2.855 2.855 . 0 0 "[ ]" 1
146 1 46 ARG HB2 1 46 ARG QD 2.500 . 3.200 1.976 1.976 1.976 . 0 0 "[ ]" 1
147 1 45 LYS QD 1 46 ARG HG3 4.000 . 5.500 4.666 4.666 4.666 . 0 0 "[ ]" 1
148 1 46 ARG QD 1 46 ARG HG3 2.500 . 3.200 2.179 2.179 2.179 . 0 0 "[ ]" 1
149 1 46 ARG HA 1 46 ARG HG2 3.000 . 3.300 3.157 3.157 3.157 . 0 0 "[ ]" 1
150 1 45 LYS HB2 1 46 ARG HG3 4.000 . 5.000 3.899 3.899 3.899 . 0 0 "[ ]" 1
151 1 45 LYS QD 1 46 ARG QD 4.000 . 6.000 3.702 3.702 3.702 . 0 0 "[ ]" 1
152 1 46 ARG HA 1 46 ARG QD 4.000 . 5.500 3.870 3.870 3.870 . 0 0 "[ ]" 1
153 1 45 LYS HB2 1 46 ARG QD 4.000 . 5.500 3.172 3.172 3.172 . 0 0 "[ ]" 1
154 1 48 LYS HA 1 48 LYS HG3 2.500 . 2.700 2.703 2.703 2.703 0.003 1 0 "[ ]" 1
155 1 48 LYS HA 1 48 LYS QD 4.000 . 5.500 4.052 4.052 4.052 . 0 0 "[ ]" 1
156 1 48 LYS HA 1 48 LYS HB2 3.000 . 3.300 3.017 3.017 3.017 . 0 0 "[ ]" 1
157 1 47 SER HA 1 48 LYS HA 4.000 . 5.000 4.321 4.321 4.321 . 0 0 "[ ]" 1
158 1 48 LYS HB3 1 48 LYS HG2 2.500 . 2.700 2.215 2.215 2.215 . 0 0 "[ ]" 1
159 1 48 LYS HB3 1 48 LYS HG3 3.000 . 3.300 2.878 2.878 2.878 . 0 0 "[ ]" 1
160 1 48 LYS HB3 1 48 LYS QD 3.000 . 3.800 2.921 2.921 2.921 . 0 0 "[ ]" 1
161 1 48 LYS HB2 1 48 LYS HG2 3.000 . 3.300 2.873 2.873 2.873 . 0 0 "[ ]" 1
162 1 48 LYS HB2 1 48 LYS QD 2.500 . 3.200 2.026 2.026 2.026 . 0 0 "[ ]" 1
163 1 48 LYS QD 1 48 LYS HG3 2.500 . 3.200 2.199 2.199 2.199 . 0 0 "[ ]" 1
164 1 47 SER HA 1 48 LYS HG3 4.000 . 5.000 3.503 3.503 3.503 . 0 0 "[ ]" 1
165 1 48 LYS HA 1 48 LYS HG2 4.000 . 5.000 3.220 3.220 3.220 . 0 0 "[ ]" 1
166 1 47 SER HA 1 48 LYS QD 4.000 . 5.500 4.038 4.038 4.038 . 0 0 "[ ]" 1
167 1 48 LYS QE 1 48 LYS HG2 3.000 . 3.800 2.217 2.217 2.217 . 0 0 "[ ]" 1
168 1 48 LYS QE 1 48 LYS HG3 3.000 . 3.800 2.726 2.726 2.726 . 0 0 "[ ]" 1
169 1 49 GLN HA 1 49 GLN HG3 2.500 . 2.700 2.572 2.572 2.572 . 0 0 "[ ]" 1
170 1 49 GLN HA 1 49 GLN HG2 2.500 . 2.700 2.669 2.669 2.669 . 0 0 "[ ]" 1
171 1 49 GLN QB 1 49 GLN HG2 2.500 . 3.200 2.246 2.246 2.246 . 0 0 "[ ]" 1
172 1 50 VAL HA 1 50 VAL MG2 2.500 . 3.200 2.452 2.452 2.452 . 0 0 "[ ]" 1
173 1 50 VAL HA 1 50 VAL MG1 2.500 . 3.200 2.410 2.410 2.410 . 0 0 "[ ]" 1
174 1 51 CYS HA 1 51 CYS HB2 3.000 . 3.300 3.008 3.008 3.008 . 0 0 "[ ]" 1
175 1 53 ASP HA 1 53 ASP HB2 3.000 . 3.300 3.015 3.015 3.015 . 0 0 "[ ]" 1
176 1 53 ASP HA 1 54 PRO HD2 2.500 . 2.700 2.430 2.430 2.430 . 0 0 "[ ]" 1
177 1 54 PRO HB2 1 54 PRO HD3 4.000 . 5.000 3.875 3.875 3.875 . 0 0 "[ ]" 1
178 1 54 PRO HB3 1 54 PRO HG3 2.500 . 2.700 2.319 2.319 2.319 . 0 0 "[ ]" 1
179 1 54 PRO HB3 1 54 PRO HD3 4.000 . 5.000 4.052 4.052 4.052 . 0 0 "[ ]" 1
180 1 54 PRO HD3 1 54 PRO HG3 2.500 . 2.700 2.313 2.313 2.313 . 0 0 "[ ]" 1
181 1 54 PRO HD2 1 54 PRO HG3 3.000 . 3.300 2.991 2.991 2.991 . 0 0 "[ ]" 1
182 1 54 PRO HB3 1 54 PRO HG2 2.500 . 2.700 2.664 2.664 2.664 . 0 0 "[ ]" 1
183 1 54 PRO HD2 1 54 PRO HG2 2.500 . 2.700 2.314 2.314 2.314 . 0 0 "[ ]" 1
184 1 53 ASP HB3 1 54 PRO HD3 4.000 . 5.000 4.303 4.303 4.303 . 0 0 "[ ]" 1
185 1 53 ASP HB3 1 54 PRO HD2 4.000 . 5.000 3.771 3.771 3.771 . 0 0 "[ ]" 1
186 1 56 GLU HA 1 56 GLU HG2 2.500 . 2.700 2.535 2.535 2.535 . 0 0 "[ ]" 1
187 1 56 GLU HA 1 56 GLU HG3 3.000 . 3.300 3.301 3.301 3.301 0.001 1 0 "[ ]" 1
188 1 56 GLU HB3 1 56 GLU HG3 3.000 . 3.300 3.003 3.003 3.003 . 0 0 "[ ]" 1
189 1 56 GLU HB3 1 56 GLU HG2 2.500 . 2.700 2.516 2.516 2.516 . 0 0 "[ ]" 1
190 1 59 VAL HA 1 59 VAL MG2 2.500 . 3.200 2.425 2.425 2.425 . 0 0 "[ ]" 1
191 1 59 VAL HA 1 59 VAL MG1 2.500 . 3.200 2.257 2.257 2.257 . 0 0 "[ ]" 1
192 1 59 VAL HA 1 60 GLN HA 4.000 . 5.000 4.776 4.776 4.776 . 0 0 "[ ]" 1
193 1 60 GLN HA 1 60 GLN HG2 2.500 . 2.700 2.605 2.605 2.605 . 0 0 "[ ]" 1
194 1 60 GLN HA 1 60 GLN HG3 3.000 . 3.300 2.718 2.718 2.718 . 0 0 "[ ]" 1
195 1 60 GLN HA 1 61 GLU HA 4.000 . 5.000 4.828 4.828 4.828 . 0 0 "[ ]" 1
196 1 60 GLN QB 1 60 GLN HG2 2.500 . 3.200 2.447 2.447 2.447 . 0 0 "[ ]" 1
197 1 60 GLN QB 1 61 GLU QB 4.000 . 6.000 4.454 4.454 4.454 . 0 0 "[ ]" 1
198 1 60 GLN HG2 1 61 GLU HA 4.000 . 5.000 4.528 4.528 4.528 . 0 0 "[ ]" 1
199 1 61 GLU HA 1 61 GLU HG2 2.500 . 2.700 2.552 2.552 2.552 . 0 0 "[ ]" 1
200 1 61 GLU HA 1 61 GLU HG3 2.500 . 2.700 2.610 2.610 2.610 . 0 0 "[ ]" 1
201 1 61 GLU QB 1 61 GLU HG2 2.500 . 3.200 2.287 2.287 2.287 . 0 0 "[ ]" 1
202 1 62 TYR HA 1 62 TYR HB2 3.000 . 3.300 3.023 3.023 3.023 . 0 0 "[ ]" 1
203 1 63 VAL HA 1 63 VAL MG2 2.500 . 3.200 2.477 2.477 2.477 . 0 0 "[ ]" 1
204 1 63 VAL HA 1 63 VAL MG1 2.500 . 3.200 2.228 2.228 2.228 . 0 0 "[ ]" 1
205 1 63 VAL HA 1 64 TYR HA 4.000 . 5.000 4.666 4.666 4.666 . 0 0 "[ ]" 1
206 1 64 TYR HA 1 64 TYR HB2 2.500 . 2.700 2.668 2.668 2.668 . 0 0 "[ ]" 1
207 1 64 TYR HB3 1 65 ASP HA 4.000 . 5.000 3.949 3.949 3.949 . 0 0 "[ ]" 1
208 1 65 ASP HA 1 65 ASP HB2 3.000 . 3.300 3.019 3.019 3.019 . 0 0 "[ ]" 1
209 1 66 LEU HA 1 66 LEU MD2 2.500 . 3.200 2.013 2.013 2.013 . 0 0 "[ ]" 1
210 1 66 LEU HA 1 66 LEU HB2 3.000 . 3.300 3.009 3.009 3.009 . 0 0 "[ ]" 1
211 1 66 LEU HB2 1 66 LEU MD1 2.500 . 3.200 2.113 2.113 2.113 . 0 0 "[ ]" 1
212 1 66 LEU HB3 1 66 LEU MD2 2.500 . 3.200 2.336 2.336 2.336 . 0 0 "[ ]" 1
213 1 66 LEU HB3 1 66 LEU MD1 2.500 . 3.200 2.540 2.540 2.540 . 0 0 "[ ]" 1
214 1 66 LEU HB3 1 66 LEU HG 3.000 . 3.300 3.012 3.012 3.012 . 0 0 "[ ]" 1
215 1 66 LEU HA 1 66 LEU HG 3.000 . 3.300 2.819 2.819 2.819 . 0 0 "[ ]" 1
216 1 66 LEU HA 1 66 LEU MD1 4.000 . 5.500 3.859 3.859 3.859 . 0 0 "[ ]" 1
217 1 67 GLU HA 1 67 GLU HB2 3.000 . 3.300 3.019 3.019 3.019 . 0 0 "[ ]" 1
218 1 67 GLU HA 1 67 GLU HG2 3.000 . 3.300 2.930 2.930 2.930 . 0 0 "[ ]" 1
219 1 67 GLU HA 1 67 GLU HG3 2.500 . 2.700 2.543 2.543 2.543 . 0 0 "[ ]" 1
220 1 67 GLU HB3 1 67 GLU HG2 2.500 . 2.700 2.245 2.245 2.245 . 0 0 "[ ]" 1
221 1 67 GLU HB3 1 67 GLU HG3 3.000 . 3.300 2.939 2.939 2.939 . 0 0 "[ ]" 1
222 1 66 LEU HB2 1 67 GLU HG3 4.000 . 5.000 3.539 3.539 3.539 . 0 0 "[ ]" 1
223 1 68 LEU HA 1 68 LEU MD1 4.000 . 5.500 3.915 3.915 3.915 . 0 0 "[ ]" 1
224 1 68 LEU HA 1 68 LEU MD2 2.500 . 3.200 2.351 2.351 2.351 . 0 0 "[ ]" 1
225 1 68 LEU HA 1 68 LEU HG 3.000 . 3.300 3.026 3.026 3.026 . 0 0 "[ ]" 1
226 1 68 LEU QB 1 68 LEU MD1 2.500 . 3.700 2.053 2.053 2.053 . 0 0 "[ ]" 1
227 1 68 LEU QB 1 68 LEU MD2 2.500 . 3.700 2.130 2.130 2.130 . 0 0 "[ ]" 1
228 1 34 LEU HA 1 34 LEU MD1 4.000 . 5.500 3.808 3.808 3.808 . 0 0 "[ ]" 1
229 1 13 ALA MB 1 14 SER HA 4.000 . 5.500 4.242 4.242 4.242 . 0 0 "[ ]" 1
230 1 26 VAL HA 1 26 VAL MG2 2.500 . 3.200 2.471 2.471 2.471 . 0 0 "[ ]" 1
231 1 26 VAL HA 1 26 VAL MG1 2.500 . 3.200 2.394 2.394 2.394 . 0 0 "[ ]" 1
232 1 33 SER HB2 1 34 LEU HA 4.000 . 5.000 4.563 4.563 4.563 . 0 0 "[ ]" 1
233 1 3 MET H 1 3 MET HG3 2.500 . 2.900 2.917 2.917 2.917 0.017 1 0 "[ ]" 1
234 1 3 MET H 1 3 MET HB3 4.000 . 5.200 3.580 3.580 3.580 . 0 0 "[ ]" 1
235 1 3 MET H 1 3 MET HB2 2.500 . 2.900 2.671 2.671 2.671 . 0 0 "[ ]" 1
236 1 3 MET HA 1 4 GLY H 2.500 . 2.900 2.167 2.167 2.167 . 0 0 "[ ]" 1
237 1 6 ASP H 1 6 ASP QB 3.000 . 4.000 2.842 2.842 2.842 . 0 0 "[ ]" 1
238 1 5 SER QB 1 6 ASP H 4.000 . 5.700 2.390 2.390 2.390 . 0 0 "[ ]" 1
239 1 5 SER HA 1 6 ASP H 4.000 . 5.200 3.565 3.565 3.565 . 0 0 "[ ]" 1
240 1 9 THR HG1 1 10 ALA H 4.000 . 5.700 2.313 2.313 2.313 . 0 0 "[ ]" 1
241 1 9 THR HB 1 10 ALA H 2.500 . 2.900 2.900 2.900 2.900 . 1 0 "[ ]" 1
242 1 11 CYS H 1 11 CYS HB2 3.000 . 3.500 2.666 2.666 2.666 . 0 0 "[ ]" 1
243 1 11 CYS H 1 11 CYS HB3 4.000 . 5.200 3.659 3.659 3.659 . 0 0 "[ ]" 1
244 1 10 ALA HA 1 11 CYS H 2.500 . 2.900 2.900 2.900 2.900 . 0 0 "[ ]" 1
245 1 11 CYS HB2 1 12 CYS H 2.500 . 2.900 2.772 2.772 2.772 . 0 0 "[ ]" 1
246 1 12 CYS H 1 12 CYS HB3 3.000 . 3.500 3.147 3.147 3.147 . 0 0 "[ ]" 1
247 1 12 CYS H 1 12 CYS HB2 2.500 . 2.900 2.879 2.879 2.879 . 0 0 "[ ]" 1
248 1 11 CYS HB3 1 12 CYS H 2.500 . 2.900 2.035 2.035 2.035 . 0 0 "[ ]" 1
249 1 11 CYS HA 1 12 CYS H 2.500 . 2.900 2.720 2.720 2.720 . 0 0 "[ ]" 1
250 1 13 ALA H 1 13 ALA MB 2.500 . 3.400 2.175 2.175 2.175 . 0 0 "[ ]" 1
251 1 12 CYS HB3 1 13 ALA H 3.000 . 3.500 3.501 3.501 3.501 0.001 1 0 "[ ]" 1
252 1 12 CYS HB2 1 13 ALA H 4.000 . 5.200 4.234 4.234 4.234 . 0 0 "[ ]" 1
253 1 13 ALA H 1 14 SER HA 4.000 . 5.200 4.864 4.864 4.864 . 0 0 "[ ]" 1
254 1 12 CYS HA 1 13 ALA H 2.500 . 2.900 2.248 2.248 2.248 . 0 0 "[ ]" 1
255 1 13 ALA H 1 14 SER H 2.500 . 3.100 2.190 2.190 2.190 . 0 0 "[ ]" 1
256 1 13 ALA MB 1 14 SER H 2.500 . 3.400 2.835 2.835 2.835 . 0 0 "[ ]" 1
257 1 14 SER H 1 14 SER QB 3.000 . 4.000 2.710 2.710 2.710 . 0 0 "[ ]" 1
258 1 13 ALA HA 1 14 SER H 4.000 . 5.200 3.493 3.493 3.493 . 0 0 "[ ]" 1
259 1 15 TYR H 1 15 TYR HB2 2.500 . 2.900 2.708 2.708 2.708 . 0 0 "[ ]" 1
260 1 15 TYR H 1 15 TYR HB3 4.000 . 5.200 3.698 3.698 3.698 . 0 0 "[ ]" 1
261 1 14 SER QB 1 15 TYR H 2.500 . 3.400 2.805 2.805 2.805 . 0 0 "[ ]" 1
262 1 14 SER HA 1 15 TYR H 2.500 . 2.900 2.256 2.256 2.256 . 0 0 "[ ]" 1
263 1 15 TYR H 1 16 THR HA 4.000 . 5.200 5.202 5.202 5.202 0.002 1 0 "[ ]" 1
264 1 16 THR H 1 16 THR HG1 4.000 . 5.700 1.984 1.984 1.984 . 0 0 "[ ]" 1
265 1 15 TYR HB3 1 16 THR H 2.500 . 2.900 2.070 2.070 2.070 . 0 0 "[ ]" 1
266 1 16 THR H 1 16 THR HB 2.500 . 2.900 2.825 2.825 2.825 . 0 0 "[ ]" 1
267 1 15 TYR HA 1 16 THR H 2.500 . 2.900 2.710 2.710 2.710 . 0 0 "[ ]" 1
268 1 16 THR HG1 1 17 ALA H 4.000 . 5.700 2.737 2.737 2.737 . 0 0 "[ ]" 1
269 1 17 ALA H 1 17 ALA MB 2.500 . 3.400 2.283 2.283 2.283 . 0 0 "[ ]" 1
270 1 17 ALA H 1 18 ARG H 2.500 . 3.100 3.003 3.003 3.003 . 0 0 "[ ]" 1
271 1 18 ARG H 1 18 ARG QG 3.000 . 4.000 3.505 3.505 3.505 . 0 0 "[ ]" 1
272 1 17 ALA HA 1 18 ARG H 4.000 . 5.200 2.832 2.832 2.832 . 0 0 "[ ]" 1
273 1 19 LYS H 1 19 LYS HG2 4.000 . 5.200 4.424 4.424 4.424 . 0 0 "[ ]" 1
274 1 19 LYS H 1 19 LYS HG3 4.000 . 5.200 4.691 4.691 4.691 . 0 0 "[ ]" 1
275 1 18 ARG HA 1 19 LYS H 2.500 . 2.900 2.612 2.612 2.612 . 0 0 "[ ]" 1
276 1 22 ARG H 1 22 ARG HG3 2.500 . 2.900 2.380 2.380 2.380 . 0 0 "[ ]" 1
277 1 22 ARG H 1 22 ARG HG2 2.500 . 2.900 2.277 2.277 2.277 . 0 0 "[ ]" 1
278 1 22 ARG H 1 22 ARG QB 2.500 . 3.400 2.661 2.661 2.661 . 0 0 "[ ]" 1
279 1 21 PRO HB3 1 22 ARG H 3.000 . 3.500 3.227 3.227 3.227 . 0 0 "[ ]" 1
280 1 21 PRO HA 1 22 ARG H 2.500 . 2.900 2.210 2.210 2.210 . 0 0 "[ ]" 1
281 1 22 ARG QB 1 23 ASN H 4.000 . 5.700 3.413 3.413 3.413 . 0 0 "[ ]" 1
282 1 23 ASN H 1 23 ASN HB2 2.500 . 2.900 2.216 2.216 2.216 . 0 0 "[ ]" 1
283 1 23 ASN H 1 23 ASN HB3 3.000 . 3.500 2.901 2.901 2.901 . 0 0 "[ ]" 1
284 1 22 ARG HA 1 23 ASN H 4.000 . 5.200 3.507 3.507 3.507 . 0 0 "[ ]" 1
285 1 23 ASN H 1 24 PHE H 2.500 . 3.100 2.645 2.645 2.645 . 0 0 "[ ]" 1
286 1 5 SER H 1 5 SER QB 3.000 . 4.000 2.272 2.272 2.272 . 0 0 "[ ]" 1
287 1 24 PHE H 1 25 VAL MG2 3.000 . 4.000 3.241 3.241 3.241 . 0 0 "[ ]" 1
288 1 23 ASN HB2 1 24 PHE H 4.000 . 5.200 3.800 3.800 3.800 . 0 0 "[ ]" 1
289 1 24 PHE H 1 24 PHE QB 2.500 . 3.400 2.193 2.193 2.193 . 0 0 "[ ]" 1
290 1 23 ASN HA 1 24 PHE H 4.000 . 5.200 3.471 3.471 3.471 . 0 0 "[ ]" 1
291 1 24 PHE H 1 25 VAL H 3.000 . 3.700 2.854 2.854 2.854 . 0 0 "[ ]" 1
292 1 25 VAL H 1 25 VAL MG2 3.000 . 4.000 2.890 2.890 2.890 . 0 0 "[ ]" 1
293 1 25 VAL H 1 25 VAL MG1 4.000 . 5.700 3.950 3.950 3.950 . 0 0 "[ ]" 1
294 1 25 VAL H 1 25 VAL HB 3.000 . 3.500 2.868 2.868 2.868 . 0 0 "[ ]" 1
295 1 24 PHE QB 1 25 VAL H 4.000 . 5.700 3.787 3.787 3.787 . 0 0 "[ ]" 1
296 1 26 VAL H 1 26 VAL MG2 2.500 . 3.400 2.301 2.301 2.301 . 0 0 "[ ]" 1
297 1 26 VAL H 1 26 VAL MG1 4.000 . 5.700 3.801 3.801 3.801 . 0 0 "[ ]" 1
298 1 26 VAL H 1 26 VAL HB 2.500 . 2.900 2.560 2.560 2.560 . 0 0 "[ ]" 1
299 1 25 VAL HA 1 26 VAL H 2.500 . 2.900 2.216 2.216 2.216 . 0 0 "[ ]" 1
300 1 26 VAL H 1 27 ASP H 2.500 . 3.100 2.614 2.614 2.614 . 0 0 "[ ]" 1
301 1 27 ASP H 1 27 ASP HB3 4.000 . 5.200 3.776 3.776 3.776 . 0 0 "[ ]" 1
302 1 26 VAL HA 1 27 ASP H 4.000 . 5.200 3.572 3.572 3.572 . 0 0 "[ ]" 1
303 1 27 ASP H 1 28 TYR H 4.000 . 5.400 4.385 4.385 4.385 . 0 0 "[ ]" 1
304 1 28 TYR H 1 28 TYR HB3 3.000 . 3.500 3.192 3.192 3.192 . 0 0 "[ ]" 1
305 1 27 ASP HB3 1 28 TYR H 2.500 . 2.900 2.044 2.044 2.044 . 0 0 "[ ]" 1
306 1 27 ASP HB2 1 28 TYR H 3.000 . 3.500 3.499 3.499 3.499 . 0 0 "[ ]" 1
307 1 27 ASP HA 1 28 TYR H 2.500 . 2.900 2.592 2.592 2.592 . 0 0 "[ ]" 1
308 1 28 TYR HB2 1 29 TYR H 2.500 . 2.900 2.154 2.154 2.154 . 0 0 "[ ]" 1
309 1 29 TYR H 1 29 TYR QB 3.000 . 4.000 2.781 2.781 2.781 . 0 0 "[ ]" 1
310 1 28 TYR HA 1 29 TYR H 2.500 . 2.900 2.535 2.535 2.535 . 0 0 "[ ]" 1
311 1 29 TYR H 1 30 GLU H 4.000 . 5.400 4.291 4.291 4.291 . 0 0 "[ ]" 1
312 1 30 GLU H 1 30 GLU HB2 2.500 . 2.900 2.300 2.300 2.300 . 0 0 "[ ]" 1
313 1 30 GLU H 1 30 GLU HB3 4.000 . 5.200 3.518 3.518 3.518 . 0 0 "[ ]" 1
314 1 30 GLU H 1 30 GLU HG3 4.000 . 5.200 4.128 4.128 4.128 . 0 0 "[ ]" 1
315 1 30 GLU H 1 30 GLU HG2 4.000 . 5.200 4.503 4.503 4.503 . 0 0 "[ ]" 1
316 1 29 TYR QB 1 30 GLU H 3.000 . 4.000 3.362 3.362 3.362 . 0 0 "[ ]" 1
317 1 29 TYR HA 1 30 GLU H 2.500 . 2.900 2.228 2.228 2.228 . 0 0 "[ ]" 1
318 1 31 THR H 1 31 THR HG1 2.500 . 3.400 2.518 2.518 2.518 . 0 0 "[ ]" 1
319 1 30 GLU HB2 1 31 THR H 4.000 . 5.200 3.941 3.941 3.941 . 0 0 "[ ]" 1
320 1 30 GLU HB3 1 31 THR H 2.500 . 2.900 2.586 2.586 2.586 . 0 0 "[ ]" 1
321 1 31 THR H 1 31 THR HB 4.000 . 5.200 3.651 3.651 3.651 . 0 0 "[ ]" 1
322 1 30 GLU HA 1 31 THR H 2.500 . 2.900 2.374 2.374 2.374 . 0 0 "[ ]" 1
323 1 30 GLU H 1 31 THR H 4.000 . 5.400 4.543 4.543 4.543 . 0 0 "[ ]" 1
324 1 31 THR H 1 32 SER H 4.000 . 5.400 4.579 4.579 4.579 . 0 0 "[ ]" 1
325 1 31 THR HG1 1 32 SER H 4.000 . 5.700 3.391 3.391 3.391 . 0 0 "[ ]" 1
326 1 32 SER H 1 32 SER HB2 2.500 . 2.900 2.437 2.437 2.437 . 0 0 "[ ]" 1
327 1 32 SER H 1 32 SER HB3 2.500 . 2.900 2.642 2.642 2.642 . 0 0 "[ ]" 1
328 1 31 THR HA 1 32 SER H 2.500 . 2.900 2.362 2.362 2.362 . 0 0 "[ ]" 1
329 1 32 SER HB2 1 33 SER H 4.000 . 5.200 3.534 3.534 3.534 . 0 0 "[ ]" 1
330 1 32 SER HA 1 33 SER H 2.500 . 2.900 2.714 2.714 2.714 . 0 0 "[ ]" 1
331 1 33 SER H 1 33 SER HB2 4.000 . 5.200 3.623 3.623 3.623 . 0 0 "[ ]" 1
332 1 33 SER H 1 34 LEU H 3.000 . 3.700 2.624 2.624 2.624 . 0 0 "[ ]" 1
333 1 34 LEU H 1 34 LEU MD1 4.000 . 5.700 3.867 3.867 3.867 . 0 0 "[ ]" 1
334 1 34 LEU H 1 34 LEU QB 3.000 . 4.000 2.281 2.281 2.281 . 0 0 "[ ]" 1
335 1 34 LEU H 1 34 LEU HG 3.000 . 3.500 3.416 3.416 3.416 . 0 0 "[ ]" 1
336 1 34 LEU H 1 35 CYS H 2.500 . 3.100 2.053 2.053 2.053 . 0 0 "[ ]" 1
337 1 34 LEU QB 1 35 CYS H 4.000 . 5.700 2.836 2.836 2.836 . 0 0 "[ ]" 1
338 1 34 LEU HG 1 35 CYS H 4.000 . 5.200 4.841 4.841 4.841 . 0 0 "[ ]" 1
339 1 35 CYS H 1 35 CYS HB2 2.500 . 2.900 2.276 2.276 2.276 . 0 0 "[ ]" 1
340 1 35 CYS H 1 35 CYS HB3 4.000 . 5.200 3.553 3.553 3.553 . 0 0 "[ ]" 1
341 1 34 LEU HA 1 35 CYS H 3.000 . 3.500 3.493 3.493 3.493 . 0 0 "[ ]" 1
342 1 35 CYS HB2 1 36 SER H 4.000 . 5.200 4.095 4.095 4.095 . 0 0 "[ ]" 1
343 1 35 CYS HB3 1 36 SER H 3.000 . 3.500 2.890 2.890 2.890 . 0 0 "[ ]" 1
344 1 36 SER H 1 36 SER QB 2.500 . 3.400 2.822 2.822 2.822 . 0 0 "[ ]" 1
345 1 35 CYS HA 1 36 SER H 2.500 . 2.900 2.246 2.246 2.246 . 0 0 "[ ]" 1
346 1 35 CYS H 1 36 SER H 4.000 . 5.400 4.596 4.596 4.596 . 0 0 "[ ]" 1
347 1 36 SER H 1 37 GLN H 3.000 . 3.700 2.824 2.824 2.824 . 0 0 "[ ]" 1
348 1 37 GLN H 1 37 GLN HB3 4.000 . 5.200 3.466 3.466 3.466 . 0 0 "[ ]" 1
349 1 37 GLN H 1 37 GLN HB2 4.000 . 5.200 3.882 3.882 3.882 . 0 0 "[ ]" 1
350 1 37 GLN H 1 37 GLN HG2 3.000 . 3.500 3.213 3.213 3.213 . 0 0 "[ ]" 1
351 1 37 GLN H 1 37 GLN HG3 2.500 . 2.900 2.379 2.379 2.379 . 0 0 "[ ]" 1
352 1 37 GLN H 1 38 PRO HD2 4.000 . 5.200 4.407 4.407 4.407 . 0 0 "[ ]" 1
353 1 36 SER QB 1 37 GLN H 4.000 . 5.700 3.806 3.806 3.806 . 0 0 "[ ]" 1
354 1 36 SER HA 1 37 GLN H 3.000 . 3.500 3.011 3.011 3.011 . 0 0 "[ ]" 1
355 1 37 GLN H 1 38 PRO HA 4.000 . 5.200 4.391 4.391 4.391 . 0 0 "[ ]" 1
356 1 39 ALA H 1 39 ALA MB 3.000 . 4.000 2.712 2.712 2.712 . 0 0 "[ ]" 1
357 1 38 PRO HB2 1 39 ALA H 4.000 . 5.200 3.440 3.440 3.440 . 0 0 "[ ]" 1
358 1 38 PRO HB3 1 39 ALA H 3.000 . 3.500 2.998 2.998 2.998 . 0 0 "[ ]" 1
359 1 38 PRO HA 1 39 ALA H 2.500 . 2.900 2.301 2.301 2.301 . 0 0 "[ ]" 1
360 1 40 VAL H 1 40 VAL MG1 4.000 . 5.700 3.808 3.808 3.808 . 0 0 "[ ]" 1
361 1 40 VAL H 1 40 VAL MG2 2.500 . 3.400 2.491 2.491 2.491 . 0 0 "[ ]" 1
362 1 40 VAL H 1 41 VAL MG2 4.000 . 5.700 4.712 4.712 4.712 . 0 0 "[ ]" 1
363 1 40 VAL H 1 40 VAL HB 2.500 . 2.900 2.557 2.557 2.557 . 0 0 "[ ]" 1
364 1 39 ALA MB 1 40 VAL H 3.000 . 4.000 3.025 3.025 3.025 . 0 0 "[ ]" 1
365 1 39 ALA HA 1 40 VAL H 2.500 . 2.900 2.165 2.165 2.165 . 0 0 "[ ]" 1
366 1 40 VAL MG1 1 41 VAL H 2.500 . 3.400 2.703 2.703 2.703 . 0 0 "[ ]" 1
367 1 40 VAL MG2 1 41 VAL H 4.000 . 5.700 4.140 4.140 4.140 . 0 0 "[ ]" 1
368 1 41 VAL H 1 41 VAL HB 2.500 . 2.900 2.561 2.561 2.561 . 0 0 "[ ]" 1
369 1 41 VAL H 1 41 VAL MG1 4.000 . 5.700 3.802 3.802 3.802 . 0 0 "[ ]" 1
370 1 41 VAL H 1 41 VAL MG2 2.500 . 3.400 2.237 2.237 2.237 . 0 0 "[ ]" 1
371 1 40 VAL HA 1 41 VAL H 2.500 . 2.900 2.144 2.144 2.144 . 0 0 "[ ]" 1
372 1 41 VAL HB 1 42 PHE H 4.000 . 5.200 3.675 3.675 3.675 . 0 0 "[ ]" 1
373 1 41 VAL MG1 1 42 PHE H 2.500 . 3.400 1.978 1.978 1.978 . 0 0 "[ ]" 1
374 1 41 VAL MG2 1 42 PHE H 4.000 . 5.700 3.852 3.852 3.852 . 0 0 "[ ]" 1
375 1 42 PHE H 1 42 PHE HB2 2.500 . 2.900 2.684 2.684 2.684 . 0 0 "[ ]" 1
376 1 42 PHE H 1 42 PHE HB3 4.000 . 5.200 3.705 3.705 3.705 . 0 0 "[ ]" 1
377 1 41 VAL HA 1 42 PHE H 2.500 . 2.900 2.326 2.326 2.326 . 0 0 "[ ]" 1
378 1 43 GLN H 1 43 GLN QB 2.500 . 3.400 2.159 2.159 2.159 . 0 0 "[ ]" 1
379 1 43 GLN H 1 43 GLN HG2 4.000 . 5.200 3.730 3.730 3.730 . 0 0 "[ ]" 1
380 1 42 PHE HB2 1 43 GLN H 4.000 . 5.200 4.597 4.597 4.597 . 0 0 "[ ]" 1
381 1 42 PHE HB3 1 43 GLN H 4.000 . 5.200 3.962 3.962 3.962 . 0 0 "[ ]" 1
382 1 42 PHE HA 1 43 GLN H 2.500 . 2.900 2.211 2.211 2.211 . 0 0 "[ ]" 1
383 1 44 THR H 1 44 THR HG1 2.500 . 3.400 2.909 2.909 2.909 . 0 0 "[ ]" 1
384 1 43 GLN QB 1 44 THR H 4.000 . 5.700 3.375 3.375 3.375 . 0 0 "[ ]" 1
385 1 43 GLN HG2 1 44 THR H 4.000 . 5.200 3.834 3.834 3.834 . 0 0 "[ ]" 1
386 1 43 GLN HA 1 44 THR H 2.500 . 2.900 2.142 2.142 2.142 . 0 0 "[ ]" 1
387 1 44 THR HG1 1 45 LYS H 4.000 . 5.700 2.577 2.577 2.577 . 0 0 "[ ]" 1
388 1 45 LYS H 1 45 LYS HG2 3.000 . 3.500 3.473 3.473 3.473 . 0 0 "[ ]" 1
389 1 45 LYS H 1 45 LYS HG3 2.500 . 2.900 2.539 2.539 2.539 . 0 0 "[ ]" 1
390 1 45 LYS H 1 45 LYS HB2 2.500 . 2.900 2.344 2.344 2.344 . 0 0 "[ ]" 1
391 1 45 LYS H 1 45 LYS HB3 4.000 . 5.200 3.563 3.563 3.563 . 0 0 "[ ]" 1
392 1 44 THR HA 1 45 LYS H 2.500 . 2.900 2.378 2.378 2.378 . 0 0 "[ ]" 1
393 1 45 LYS H 1 46 ARG H 2.500 . 3.100 2.983 2.983 2.983 . 0 0 "[ ]" 1
394 1 45 LYS HB2 1 46 ARG H 2.500 . 2.900 2.226 2.226 2.226 . 0 0 "[ ]" 1
395 1 46 ARG H 1 46 ARG HB3 4.000 . 5.200 3.617 3.617 3.617 . 0 0 "[ ]" 1
396 1 45 LYS HB3 1 46 ARG H 3.000 . 3.500 2.926 2.926 2.926 . 0 0 "[ ]" 1
397 1 46 ARG H 1 46 ARG HB2 2.500 . 2.900 2.398 2.398 2.398 . 0 0 "[ ]" 1
398 1 45 LYS HA 1 46 ARG H 4.000 . 5.200 3.570 3.570 3.570 . 0 0 "[ ]" 1
399 1 46 ARG H 1 47 SER H 2.500 . 3.100 2.279 2.279 2.279 . 0 0 "[ ]" 1
400 1 46 ARG HB3 1 47 SER H 4.000 . 5.200 3.694 3.694 3.694 . 0 0 "[ ]" 1
401 1 46 ARG HG3 1 47 SER H 4.000 . 5.200 4.623 4.623 4.623 . 0 0 "[ ]" 1
402 1 47 SER H 1 47 SER QB 2.500 . 3.400 2.161 2.161 2.161 . 0 0 "[ ]" 1
403 1 46 ARG HA 1 47 SER H 4.000 . 5.200 3.514 3.514 3.514 . 0 0 "[ ]" 1
404 1 47 SER H 1 48 LYS H 4.000 . 5.400 4.590 4.590 4.590 . 0 0 "[ ]" 1
405 1 48 LYS H 1 48 LYS HG2 4.000 . 5.200 3.733 3.733 3.733 . 0 0 "[ ]" 1
406 1 48 LYS H 1 48 LYS HG3 2.500 . 2.900 2.258 2.258 2.258 . 0 0 "[ ]" 1
407 1 48 LYS H 1 48 LYS QD 2.500 . 3.400 2.649 2.649 2.649 . 0 0 "[ ]" 1
408 1 48 LYS H 1 48 LYS HB3 4.000 . 5.200 3.620 3.620 3.620 . 0 0 "[ ]" 1
409 1 48 LYS H 1 48 LYS HB2 2.500 . 2.900 2.636 2.636 2.636 . 0 0 "[ ]" 1
410 1 47 SER QB 1 48 LYS H 2.500 . 3.400 2.454 2.454 2.454 . 0 0 "[ ]" 1
411 1 47 SER HA 1 48 LYS H 2.500 . 2.900 2.420 2.420 2.420 . 0 0 "[ ]" 1
412 1 48 LYS HG2 1 49 GLN H 4.000 . 5.200 4.153 4.153 4.153 . 0 0 "[ ]" 1
413 1 49 GLN H 1 49 GLN QB 2.500 . 3.400 2.249 2.249 2.249 . 0 0 "[ ]" 1
414 1 48 LYS HB3 1 49 GLN H 2.500 . 2.900 1.965 1.965 1.965 . 0 0 "[ ]" 1
415 1 49 GLN H 1 49 GLN HG3 2.500 . 2.900 2.670 2.670 2.670 . 0 0 "[ ]" 1
416 1 49 GLN H 1 49 GLN HG2 4.000 . 5.200 3.967 3.967 3.967 . 0 0 "[ ]" 1
417 1 48 LYS HA 1 49 GLN H 3.000 . 3.500 2.785 2.785 2.785 . 0 0 "[ ]" 1
418 1 50 VAL H 1 50 VAL MG2 3.000 . 4.000 2.741 2.741 2.741 . 0 0 "[ ]" 1
419 1 50 VAL H 1 50 VAL MG1 4.000 . 5.700 3.887 3.887 3.887 . 0 0 "[ ]" 1
420 1 49 GLN QB 1 50 VAL H 2.500 . 3.400 2.794 2.794 2.794 . 0 0 "[ ]" 1
421 1 50 VAL H 1 50 VAL HB 3.000 . 3.500 2.723 2.723 2.723 . 0 0 "[ ]" 1
422 1 49 GLN HA 1 50 VAL H 2.500 . 2.900 2.262 2.262 2.262 . 0 0 "[ ]" 1
423 1 50 VAL MG2 1 51 CYS H 4.000 . 5.700 4.199 4.199 4.199 . 0 0 "[ ]" 1
424 1 50 VAL MG1 1 51 CYS H 3.000 . 4.000 3.083 3.083 3.083 . 0 0 "[ ]" 1
425 1 51 CYS H 1 51 CYS HB3 4.000 . 5.200 3.566 3.566 3.566 . 0 0 "[ ]" 1
426 1 51 CYS H 1 51 CYS HB2 2.500 . 2.900 2.297 2.297 2.297 . 0 0 "[ ]" 1
427 1 50 VAL HA 1 51 CYS H 2.500 . 2.900 2.156 2.156 2.156 . 0 0 "[ ]" 1
428 1 52 ALA H 1 52 ALA MB 3.000 . 4.000 2.559 2.559 2.559 . 0 0 "[ ]" 1
429 1 51 CYS HA 1 52 ALA H 2.500 . 2.900 2.209 2.209 2.209 . 0 0 "[ ]" 1
430 1 52 ALA MB 1 53 ASP H 3.000 . 4.000 2.996 2.996 2.996 . 0 0 "[ ]" 1
431 1 53 ASP H 1 53 ASP HB3 4.000 . 5.200 3.574 3.574 3.574 . 0 0 "[ ]" 1
432 1 53 ASP H 1 53 ASP HB2 2.500 . 2.900 2.384 2.384 2.384 . 0 0 "[ ]" 1
433 1 52 ALA HA 1 53 ASP H 2.500 . 2.900 2.181 2.181 2.181 . 0 0 "[ ]" 1
434 1 56 GLU H 1 56 GLU HG2 3.000 . 3.500 3.015 3.015 3.015 . 0 0 "[ ]" 1
435 1 56 GLU H 1 56 GLU HG3 2.500 . 2.900 2.080 2.080 2.080 . 0 0 "[ ]" 1
436 1 55 SER QB 1 56 GLU H 3.000 . 4.000 2.687 2.687 2.687 . 0 0 "[ ]" 1
437 1 56 GLU HB3 1 57 SER H 2.500 . 2.900 2.449 2.449 2.449 . 0 0 "[ ]" 1
438 1 56 GLU HG2 1 57 SER H 4.000 . 5.200 4.244 4.244 4.244 . 0 0 "[ ]" 1
439 1 57 SER H 1 57 SER QB 2.500 . 3.400 2.330 2.330 2.330 . 0 0 "[ ]" 1
440 1 56 GLU HA 1 57 SER H 2.500 . 2.900 2.414 2.414 2.414 . 0 0 "[ ]" 1
441 1 56 GLU H 1 57 SER H 4.000 . 5.400 4.636 4.636 4.636 . 0 0 "[ ]" 1
442 1 57 SER H 1 58 TRP H 2.500 . 3.100 2.347 2.347 2.347 . 0 0 "[ ]" 1
443 1 58 TRP H 1 58 TRP QB 2.500 . 3.400 2.320 2.320 2.320 . 0 0 "[ ]" 1
444 1 57 SER QB 1 58 TRP H 3.000 . 4.000 2.623 2.623 2.623 . 0 0 "[ ]" 1
445 1 58 TRP H 1 58 TRP HD1 2.500 . 2.900 2.166 2.166 2.166 . 0 0 "[ ]" 1
446 1 59 VAL MG2 1 60 GLN H 4.000 . 5.700 3.614 3.614 3.614 . 0 0 "[ ]" 1
447 1 59 VAL MG1 1 60 GLN H 4.000 . 5.700 3.287 3.287 3.287 . 0 0 "[ ]" 1
448 1 59 VAL HB 1 60 GLN H 2.500 . 2.900 2.255 2.255 2.255 . 0 0 "[ ]" 1
449 1 60 GLN H 1 60 GLN QB 2.500 . 3.400 2.189 2.189 2.189 . 0 0 "[ ]" 1
450 1 60 GLN H 1 60 GLN HG2 4.000 . 5.200 4.464 4.464 4.464 . 0 0 "[ ]" 1
451 1 60 GLN H 1 61 GLU QB 4.000 . 5.700 4.457 4.457 4.457 . 0 0 "[ ]" 1
452 1 60 GLN H 1 60 GLN HG3 4.000 . 5.200 4.278 4.278 4.278 . 0 0 "[ ]" 1
453 1 59 VAL H 1 60 GLN H 2.500 . 3.100 2.798 2.798 2.798 . 0 0 "[ ]" 1
454 1 60 GLN QB 1 61 GLU H 3.000 . 4.000 2.791 2.791 2.791 . 0 0 "[ ]" 1
455 1 60 GLN HG2 1 61 GLU H 4.000 . 5.200 4.419 4.419 4.419 . 0 0 "[ ]" 1
456 1 61 GLU H 1 61 GLU QB 2.500 . 3.400 2.182 2.182 2.182 . 0 0 "[ ]" 1
457 1 61 GLU H 1 61 GLU HG3 3.000 . 3.500 2.836 2.836 2.836 . 0 0 "[ ]" 1
458 1 60 GLN H 1 61 GLU H 2.500 . 3.100 2.658 2.658 2.658 . 0 0 "[ ]" 1
459 1 61 GLU H 1 62 TYR H 2.500 . 3.100 2.823 2.823 2.823 . 0 0 "[ ]" 1
460 1 61 GLU QB 1 62 TYR H 3.000 . 4.000 2.438 2.438 2.438 . 0 0 "[ ]" 1
461 1 62 TYR H 1 62 TYR HB3 4.000 . 5.200 3.587 3.587 3.587 . 0 0 "[ ]" 1
462 1 62 TYR H 1 62 TYR HB2 2.500 . 2.900 2.441 2.441 2.441 . 0 0 "[ ]" 1
463 1 61 GLU HA 1 62 TYR H 4.000 . 5.200 3.566 3.566 3.566 . 0 0 "[ ]" 1
464 1 63 VAL H 1 63 VAL MG2 2.500 . 3.400 1.955 1.955 1.955 . 0 0 "[ ]" 1
465 1 63 VAL H 1 63 VAL MG1 4.000 . 5.700 3.762 3.762 3.762 . 0 0 "[ ]" 1
466 1 63 VAL H 1 63 VAL HB 2.500 . 2.900 2.653 2.653 2.653 . 0 0 "[ ]" 1
467 1 62 TYR HB3 1 63 VAL H 4.000 . 5.200 3.672 3.672 3.672 . 0 0 "[ ]" 1
468 1 62 TYR HB2 1 63 VAL H 2.500 . 2.900 2.707 2.707 2.707 . 0 0 "[ ]" 1
469 1 62 TYR HA 1 63 VAL H 4.000 . 5.200 3.524 3.524 3.524 . 0 0 "[ ]" 1
470 1 63 VAL MG2 1 64 TYR H 4.000 . 5.700 3.821 3.821 3.821 . 0 0 "[ ]" 1
471 1 63 VAL MG1 1 64 TYR H 4.000 . 5.700 3.790 3.790 3.790 . 0 0 "[ ]" 1
472 1 63 VAL HB 1 64 TYR H 2.500 . 2.900 2.850 2.850 2.850 . 0 0 "[ ]" 1
473 1 64 TYR H 1 64 TYR HB3 3.000 . 3.500 2.875 2.875 2.875 . 0 0 "[ ]" 1
474 1 64 TYR H 1 65 ASP HB2 4.000 . 5.200 4.395 4.395 4.395 . 0 0 "[ ]" 1
475 1 64 TYR H 1 64 TYR HB2 2.500 . 2.900 2.353 2.353 2.353 . 0 0 "[ ]" 1
476 1 63 VAL H 1 64 TYR H 2.500 . 3.100 2.665 2.665 2.665 . 0 0 "[ ]" 1
477 1 64 TYR H 1 65 ASP H 2.500 . 3.100 2.330 2.330 2.330 . 0 0 "[ ]" 1
478 1 65 ASP H 1 66 LEU HG 4.000 . 5.200 4.542 4.542 4.542 . 0 0 "[ ]" 1
479 1 65 ASP H 1 65 ASP HB3 4.000 . 5.200 3.577 3.577 3.577 . 0 0 "[ ]" 1
480 1 64 TYR HB3 1 65 ASP H 2.500 . 2.900 2.774 2.774 2.774 . 0 0 "[ ]" 1
481 1 65 ASP H 1 65 ASP HB2 2.500 . 2.900 2.378 2.378 2.378 . 0 0 "[ ]" 1
482 1 65 ASP H 1 66 LEU H 2.500 . 3.100 2.602 2.602 2.602 . 0 0 "[ ]" 1
483 1 66 LEU H 1 66 LEU MD2 4.000 . 5.700 3.709 3.709 3.709 . 0 0 "[ ]" 1
484 1 66 LEU H 1 66 LEU MD1 4.000 . 5.700 3.505 3.505 3.505 . 0 0 "[ ]" 1
485 1 66 LEU H 1 66 LEU HB3 4.000 . 5.200 3.565 3.565 3.565 . 0 0 "[ ]" 1
486 1 66 LEU H 1 66 LEU HG 2.500 . 2.900 2.489 2.489 2.489 . 0 0 "[ ]" 1
487 1 66 LEU H 1 66 LEU HB2 2.500 . 2.900 2.360 2.360 2.360 . 0 0 "[ ]" 1
488 1 65 ASP HB3 1 66 LEU H 4.000 . 5.200 3.710 3.710 3.710 . 0 0 "[ ]" 1
489 1 65 ASP HB2 1 66 LEU H 3.000 . 3.500 2.846 2.846 2.846 . 0 0 "[ ]" 1
490 1 66 LEU H 1 67 GLU H 2.500 . 3.100 2.709 2.709 2.709 . 0 0 "[ ]" 1
491 1 66 LEU MD2 1 67 GLU H 4.000 . 5.700 4.716 4.716 4.716 . 0 0 "[ ]" 1
492 1 67 GLU H 1 67 GLU HB3 4.000 . 5.200 3.581 3.581 3.581 . 0 0 "[ ]" 1
493 1 67 GLU H 1 67 GLU HB2 3.000 . 3.500 2.379 2.379 2.379 . 0 0 "[ ]" 1
494 1 67 GLU H 1 67 GLU HG3 2.500 . 2.900 2.599 2.599 2.599 . 0 0 "[ ]" 1
495 1 67 GLU H 1 68 LEU H 2.500 . 3.100 2.504 2.504 2.504 . 0 0 "[ ]" 1
496 1 68 LEU H 1 68 LEU MD1 4.000 . 5.700 3.491 3.491 3.491 . 0 0 "[ ]" 1
497 1 68 LEU H 1 68 LEU MD2 4.000 . 5.700 3.538 3.538 3.538 . 0 0 "[ ]" 1
498 1 68 LEU H 1 68 LEU QB 2.500 . 3.400 2.461 2.461 2.461 . 0 0 "[ ]" 1
499 1 68 LEU H 1 68 LEU HG 2.500 . 2.900 2.307 2.307 2.307 . 0 0 "[ ]" 1
500 1 67 GLU HA 1 68 LEU H 4.000 . 5.200 3.493 3.493 3.493 . 0 0 "[ ]" 1
501 1 9 THR H 1 9 THR HG1 3.000 . 4.000 2.560 2.560 2.560 . 0 0 "[ ]" 1
502 1 8 PRO HB2 1 9 THR H 2.500 . 2.900 2.898 2.898 2.898 . 0 0 "[ ]" 1
503 1 9 THR H 1 9 THR HB 3.000 . 3.500 3.465 3.465 3.465 . 0 0 "[ ]" 1
504 1 8 PRO HA 1 9 THR H 2.500 . 2.900 2.291 2.291 2.291 . 0 0 "[ ]" 1
505 1 54 PRO HB2 1 55 SER H 3.000 . 3.500 3.024 3.024 3.024 . 0 0 "[ ]" 1
506 1 54 PRO HD3 1 55 SER H 4.000 . 5.200 3.939 3.939 3.939 . 0 0 "[ ]" 1
507 1 55 SER H 1 55 SER QB 2.500 . 3.400 2.392 2.392 2.392 . 0 0 "[ ]" 1
508 1 54 PRO HA 1 55 SER H 4.000 . 5.200 3.483 3.483 3.483 . 0 0 "[ ]" 1
509 1 54 PRO HD2 1 55 SER H 2.500 . 2.900 2.794 2.794 2.794 . 0 0 "[ ]" 1
510 1 58 TRP H 1 59 VAL H 2.500 . 3.100 2.801 2.801 2.801 . 0 0 "[ ]" 1
511 1 10 ALA MB 1 11 CYS H 4.000 . 5.700 3.642 3.642 3.642 . 0 0 "[ ]" 1
512 1 18 ARG H 1 18 ARG HB3 4.000 . 5.200 3.827 3.827 3.827 . 0 0 "[ ]" 1
513 1 19 LYS H 1 19 LYS HB2 3.000 . 3.500 2.912 2.912 2.912 . 0 0 "[ ]" 1
514 1 19 LYS H 1 19 LYS HB3 2.500 . 2.900 2.570 2.570 2.570 . 0 0 "[ ]" 1
515 1 18 ARG HB2 1 19 LYS H 3.000 . 3.500 3.422 3.422 3.422 . 0 0 "[ ]" 1
516 1 18 ARG QG 1 19 LYS H 4.000 . 5.700 3.607 3.607 3.607 . 0 0 "[ ]" 1
517 1 18 ARG HB3 1 19 LYS H 2.500 . 2.900 1.999 1.999 1.999 . 0 0 "[ ]" 1
518 1 24 PHE H 1 25 VAL HB 4.000 . 5.200 4.642 4.642 4.642 . 0 0 "[ ]" 1
519 1 26 VAL HB 1 27 ASP H 2.500 . 2.900 2.072 2.072 2.072 . 0 0 "[ ]" 1
520 1 56 GLU H 1 56 GLU HB2 2.500 . 2.900 2.612 2.612 2.612 . 0 0 "[ ]" 1
521 1 56 GLU H 1 56 GLU HB3 4.000 . 5.200 3.588 3.588 3.588 . 0 0 "[ ]" 1
522 1 55 SER HA 1 56 GLU H 4.000 . 5.200 3.521 3.521 3.521 . 0 0 "[ ]" 1
523 1 66 LEU HA 1 67 GLU H 4.000 . 5.200 3.536 3.536 3.536 . 0 0 "[ ]" 1
524 1 19 LYS HA 1 20 LEU H 2.500 . 2.900 2.225 2.225 2.225 . 0 0 "[ ]" 1
525 1 15 TYR H 1 15 TYR QD 2.500 . 3.400 2.681 2.681 2.681 . 0 0 "[ ]" 1
526 1 28 TYR H 1 28 TYR QD 2.500 . 3.400 2.639 2.639 2.639 . 0 0 "[ ]" 1
527 1 28 TYR QD 1 29 TYR H 3.000 . 4.000 3.158 3.158 3.158 . 0 0 "[ ]" 1
528 1 29 TYR H 1 29 TYR QD 4.000 . 5.700 4.278 4.278 4.278 . 0 0 "[ ]" 1
529 1 29 TYR QD 1 30 GLU H 2.500 . 3.400 3.400 3.400 3.400 0.000 1 0 "[ ]" 1
530 1 42 PHE H 1 42 PHE QD 4.000 . 5.700 4.007 4.007 4.007 . 0 0 "[ ]" 1
531 1 42 PHE QD 1 43 GLN H 4.000 . 5.700 3.837 3.837 3.837 . 0 0 "[ ]" 1
532 1 62 TYR H 1 62 TYR QD 3.000 . 4.000 3.242 3.242 3.242 . 0 0 "[ ]" 1
533 1 62 TYR QD 1 63 VAL H 4.000 . 5.700 4.454 4.454 4.454 . 0 0 "[ ]" 1
534 1 15 TYR HA 1 15 TYR QD 4.000 . 5.500 2.799 2.799 2.799 . 0 0 "[ ]" 1
535 1 15 TYR HB3 1 15 TYR QD 2.500 . 3.200 2.489 2.489 2.489 . 0 0 "[ ]" 1
536 1 15 TYR HB2 1 15 TYR QD 2.500 . 3.200 2.326 2.326 2.326 . 0 0 "[ ]" 1
537 1 28 TYR HB3 1 28 TYR QD 2.500 . 3.200 2.414 2.414 2.414 . 0 0 "[ ]" 1
538 1 28 TYR HB2 1 28 TYR QD 2.500 . 3.200 2.381 2.381 2.381 . 0 0 "[ ]" 1
539 1 28 TYR QD 1 29 TYR HA 3.000 . 3.800 3.361 3.361 3.361 . 0 0 "[ ]" 1
540 1 29 TYR HA 1 29 TYR QD 3.000 . 3.800 2.012 2.012 2.012 . 0 0 "[ ]" 1
541 1 28 TYR QD 1 29 TYR QB 4.000 . 6.000 4.773 4.773 4.773 . 0 0 "[ ]" 1
542 1 29 TYR QB 1 29 TYR QD 2.500 . 3.700 2.192 2.192 2.192 . 0 0 "[ ]" 1
543 1 42 PHE HA 1 42 PHE QD 2.500 . 3.200 2.335 2.335 2.335 . 0 0 "[ ]" 1
544 1 42 PHE HB3 1 42 PHE QD 2.500 . 3.200 2.625 2.625 2.625 . 0 0 "[ ]" 1
545 1 62 TYR HA 1 62 TYR QD 2.500 . 3.200 1.999 1.999 1.999 . 0 0 "[ ]" 1
546 1 62 TYR HB2 1 62 TYR QD 2.500 . 3.200 2.317 2.317 2.317 . 0 0 "[ ]" 1
547 1 62 TYR HB3 1 62 TYR QD 3.000 . 3.800 2.750 2.750 2.750 . 0 0 "[ ]" 1
548 1 62 TYR QD 1 63 VAL MG2 4.000 . 6.000 4.625 4.625 4.625 . 0 0 "[ ]" 1
549 1 64 TYR HB3 1 64 TYR QD 2.500 . 3.200 2.643 2.643 2.643 . 0 0 "[ ]" 1
550 1 64 TYR HB2 1 64 TYR QD 2.500 . 3.200 2.278 2.278 2.278 . 0 0 "[ ]" 1
551 1 9 THR HG1 1 34 LEU QB 4.000 . 6.000 2.700 2.700 2.700 . 0 0 "[ ]" 1
552 1 10 ALA MB 1 32 SER HA 4.000 . 5.500 3.361 3.361 3.361 . 0 0 "[ ]" 1
553 1 12 CYS HB2 1 39 ALA MB 4.000 . 5.500 2.864 2.864 2.864 . 0 0 "[ ]" 1
554 1 12 CYS HB3 1 39 ALA MB 4.000 . 5.500 3.269 3.269 3.269 . 0 0 "[ ]" 1
555 1 12 CYS HB3 1 15 TYR HA 4.000 . 5.000 4.762 4.762 4.762 . 0 0 "[ ]" 1
556 1 15 TYR HA 1 51 CYS HB3 2.500 . 2.700 2.701 2.701 2.701 0.001 1 0 "[ ]" 1
557 1 15 TYR HB3 1 51 CYS HA 4.000 . 5.000 5.001 5.001 5.001 0.001 1 0 "[ ]" 1
558 1 15 TYR HB3 1 52 ALA HA 2.500 . 2.700 2.429 2.429 2.429 . 0 0 "[ ]" 1
559 1 15 TYR HB2 1 51 CYS HB3 4.000 . 5.000 4.934 4.934 4.934 . 0 0 "[ ]" 1
560 1 16 THR HB 1 50 VAL MG1 2.500 . 3.200 2.127 2.127 2.127 . 0 0 "[ ]" 1
561 1 16 THR HG1 1 18 ARG HB2 4.000 . 5.500 2.706 2.706 2.706 . 0 0 "[ ]" 1
562 1 16 THR HG1 1 50 VAL MG1 4.000 . 6.000 2.045 2.045 2.045 . 0 0 "[ ]" 1
563 1 19 LYS QE 1 21 PRO HD3 4.000 . 5.500 3.535 3.535 3.535 . 0 0 "[ ]" 1
564 1 21 PRO HB3 1 24 PHE QB 4.000 . 5.500 4.339 4.339 4.339 . 0 0 "[ ]" 1
565 1 21 PRO HB2 1 24 PHE QB 2.500 . 3.200 2.658 2.658 2.658 . 0 0 "[ ]" 1
566 1 21 PRO HG3 1 24 PHE QB 4.000 . 5.500 4.831 4.831 4.831 . 0 0 "[ ]" 1
567 1 21 PRO HG2 1 24 PHE QB 4.000 . 5.500 3.673 3.673 3.673 . 0 0 "[ ]" 1
568 1 21 PRO HD2 1 24 PHE QB 3.000 . 3.800 2.935 2.935 2.935 . 0 0 "[ ]" 1
569 1 22 ARG QB 1 65 ASP HB3 4.000 . 5.500 4.288 4.288 4.288 . 0 0 "[ ]" 1
570 1 22 ARG QB 1 62 TYR HB2 4.000 . 5.500 4.538 4.538 4.538 . 0 0 "[ ]" 1
571 1 22 ARG HD2 1 65 ASP HB3 4.000 . 5.000 3.912 3.912 3.912 . 0 0 "[ ]" 1
572 1 22 ARG HD2 1 65 ASP HB2 4.000 . 5.000 4.599 4.599 4.599 . 0 0 "[ ]" 1
573 1 22 ARG HD2 1 66 LEU HA 4.000 . 5.000 4.747 4.747 4.747 . 0 0 "[ ]" 1
574 1 22 ARG HD3 1 65 ASP HB2 4.000 . 5.000 2.971 2.971 2.971 . 0 0 "[ ]" 1
575 1 24 PHE HA 1 45 LYS HG3 4.000 . 5.000 3.925 3.925 3.925 . 0 0 "[ ]" 1
576 1 21 PRO HB2 1 24 PHE HA 4.000 . 5.000 4.947 4.947 4.947 . 0 0 "[ ]" 1
577 1 24 PHE HA 1 45 LYS QD 4.000 . 5.500 4.212 4.212 4.212 . 0 0 "[ ]" 1
578 1 15 TYR HB2 1 52 ALA HA 4.000 . 5.000 3.934 3.934 3.934 . 0 0 "[ ]" 1
579 1 25 VAL HA 1 44 THR HA 2.500 . 2.700 2.542 2.542 2.542 . 0 0 "[ ]" 1
580 1 25 VAL MG1 1 43 GLN QB 4.000 . 6.000 3.975 3.975 3.975 . 0 0 "[ ]" 1
581 1 25 VAL MG1 1 28 TYR HB3 4.000 . 5.500 4.172 4.172 4.172 . 0 0 "[ ]" 1
582 1 25 VAL MG1 1 42 PHE HB2 4.000 . 5.500 3.816 3.816 3.816 . 0 0 "[ ]" 1
583 1 25 VAL MG1 1 42 PHE HB3 2.500 . 3.200 2.271 2.271 2.271 . 0 0 "[ ]" 1
584 1 27 ASP HA 1 66 LEU MD2 4.000 . 5.500 3.927 3.927 3.927 . 0 0 "[ ]" 1
585 1 25 VAL MG1 1 27 ASP HA 4.000 . 5.500 3.643 3.643 3.643 . 0 0 "[ ]" 1
586 1 27 ASP HA 1 66 LEU MD1 4.000 . 5.500 3.854 3.854 3.854 . 0 0 "[ ]" 1
587 1 28 TYR HA 1 40 VAL MG1 4.000 . 5.500 4.641 4.641 4.641 . 0 0 "[ ]" 1
588 1 28 TYR HA 1 43 GLN HG3 4.000 . 5.000 4.726 4.726 4.726 . 0 0 "[ ]" 1
589 1 28 TYR HA 1 42 PHE HB2 4.000 . 5.000 4.998 4.998 4.998 . 0 0 "[ ]" 1
590 1 28 TYR HA 1 42 PHE HA 2.500 . 2.700 2.088 2.088 2.088 . 0 0 "[ ]" 1
591 1 28 TYR HB3 1 40 VAL MG1 4.000 . 5.500 3.909 3.909 3.909 . 0 0 "[ ]" 1
592 1 28 TYR HB2 1 40 VAL MG1 3.000 . 3.800 3.018 3.018 3.018 . 0 0 "[ ]" 1
593 1 30 GLU HA 1 40 VAL MG2 4.000 . 5.500 4.333 4.333 4.333 . 0 0 "[ ]" 1
594 1 30 GLU HA 1 41 VAL HB 4.000 . 5.000 4.610 4.610 4.610 . 0 0 "[ ]" 1
595 1 30 GLU HA 1 41 VAL MG2 4.000 . 5.500 3.725 3.725 3.725 . 0 0 "[ ]" 1
596 1 30 GLU HA 1 40 VAL HA 3.000 . 3.300 3.206 3.206 3.206 . 0 0 "[ ]" 1
597 1 31 THR HB 1 38 PRO HA 4.000 . 5.000 4.352 4.352 4.352 . 0 0 "[ ]" 1
598 1 31 THR HG1 1 39 ALA MB 4.000 . 6.000 1.965 1.965 1.965 . 0 0 "[ ]" 1
599 1 31 THR HG1 1 38 PRO HA 3.000 . 3.800 2.532 2.532 2.532 . 0 0 "[ ]" 1
600 1 10 ALA HA 1 32 SER HB2 4.000 . 5.000 4.726 4.726 4.726 . 0 0 "[ ]" 1
601 1 9 THR HB 1 34 LEU QB 4.000 . 5.500 4.254 4.254 4.254 . 0 0 "[ ]" 1
602 1 11 CYS HB3 1 35 CYS HB2 4.000 . 5.000 3.521 3.521 3.521 . 0 0 "[ ]" 1
603 1 35 CYS HB3 1 37 GLN HG3 2.500 . 2.700 2.430 2.430 2.430 . 0 0 "[ ]" 1
604 1 31 THR HG1 1 38 PRO HB3 4.000 . 5.500 3.877 3.877 3.877 . 0 0 "[ ]" 1
605 1 39 ALA HA 1 54 PRO HD2 3.000 . 3.300 3.011 3.011 3.011 . 0 0 "[ ]" 1
606 1 39 ALA HA 1 54 PRO HD3 2.500 . 2.700 2.079 2.079 2.079 . 0 0 "[ ]" 1
607 1 39 ALA MB 1 41 VAL MG2 4.000 . 6.000 3.457 3.457 3.457 . 0 0 "[ ]" 1
608 1 39 ALA MB 1 51 CYS HA 4.000 . 5.500 4.011 4.011 4.011 . 0 0 "[ ]" 1
609 1 40 VAL HB 1 59 VAL MG1 2.500 . 3.200 2.296 2.296 2.296 . 0 0 "[ ]" 1
610 1 40 VAL MG1 1 59 VAL MG1 3.000 . 4.300 2.437 2.437 2.437 . 0 0 "[ ]" 1
611 1 40 VAL MG1 1 63 VAL MG2 3.000 . 4.300 2.770 2.770 2.770 . 0 0 "[ ]" 1
612 1 40 VAL MG1 1 63 VAL MG1 4.000 . 6.000 3.908 3.908 3.908 . 0 0 "[ ]" 1
613 1 40 VAL MG1 1 42 PHE HB2 4.000 . 5.500 4.850 4.850 4.850 . 0 0 "[ ]" 1
614 1 40 VAL MG2 1 59 VAL MG1 2.500 . 3.700 2.306 2.306 2.306 . 0 0 "[ ]" 1
615 1 40 VAL MG2 1 54 PRO HG3 2.500 . 3.200 1.947 1.947 1.947 . 0 0 "[ ]" 1
616 1 40 VAL MG2 1 59 VAL HB 4.000 . 5.500 4.190 4.190 4.190 . 0 0 "[ ]" 1
617 1 40 VAL MG2 1 54 PRO HB2 4.000 . 5.500 3.631 3.631 3.631 . 0 0 "[ ]" 1
618 1 40 VAL MG2 1 54 PRO HB3 2.500 . 3.200 2.246 2.246 2.246 . 0 0 "[ ]" 1
619 1 40 VAL MG2 1 54 PRO HA 3.000 . 3.800 2.540 2.540 2.540 . 0 0 "[ ]" 1
620 1 41 VAL HA 1 51 CYS HA 2.500 . 2.700 2.197 2.197 2.197 . 0 0 "[ ]" 1
621 1 41 VAL HB 1 49 GLN QB 4.000 . 5.500 4.415 4.415 4.415 . 0 0 "[ ]" 1
622 1 41 VAL MG1 1 49 GLN QB 2.500 . 3.700 1.880 1.880 1.880 . 0 0 "[ ]" 1
623 1 41 VAL MG1 1 51 CYS HA 4.000 . 5.500 3.382 3.382 3.382 . 0 0 "[ ]" 1
624 1 41 VAL MG2 1 49 GLN QB 4.000 . 6.000 3.521 3.521 3.521 . 0 0 "[ ]" 1
625 1 41 VAL MG2 1 49 GLN HG2 4.000 . 5.500 4.066 4.066 4.066 . 0 0 "[ ]" 1
626 1 31 THR HA 1 41 VAL MG2 4.000 . 5.500 4.363 4.363 4.363 . 0 0 "[ ]" 1
627 1 41 VAL MG2 1 51 CYS HA 3.000 . 3.800 3.033 3.033 3.033 . 0 0 "[ ]" 1
628 1 40 VAL MG1 1 42 PHE HA 4.000 . 5.500 4.592 4.592 4.592 . 0 0 "[ ]" 1
629 1 28 TYR HB3 1 42 PHE HA 4.000 . 5.000 3.342 3.342 3.342 . 0 0 "[ ]" 1
630 1 25 VAL MG2 1 42 PHE HB2 4.000 . 5.500 4.345 4.345 4.345 . 0 0 "[ ]" 1
631 1 25 VAL MG2 1 42 PHE HB3 3.000 . 3.800 3.055 3.055 3.055 . 0 0 "[ ]" 1
632 1 42 PHE HB3 1 50 VAL HB 3.000 . 3.300 2.957 2.957 2.957 . 0 0 "[ ]" 1
633 1 43 GLN HA 1 49 GLN HG2 4.000 . 5.000 3.600 3.600 3.600 . 0 0 "[ ]" 1
634 1 26 VAL MG2 1 43 GLN QB 4.000 . 6.000 3.918 3.918 3.918 . 0 0 "[ ]" 1
635 1 26 VAL HB 1 43 GLN QB 3.000 . 3.800 3.272 3.272 3.272 . 0 0 "[ ]" 1
636 1 43 GLN QB 1 49 GLN HG2 4.000 . 5.500 4.177 4.177 4.177 . 0 0 "[ ]" 1
637 1 43 GLN HG2 1 49 GLN QB 4.000 . 5.500 3.818 3.818 3.818 . 0 0 "[ ]" 1
638 1 26 VAL MG2 1 44 THR HA 3.000 . 3.800 3.568 3.568 3.568 . 0 0 "[ ]" 1
639 1 44 THR HB 1 47 SER HA 4.000 . 5.000 4.146 4.146 4.146 . 0 0 "[ ]" 1
640 1 26 VAL MG2 1 45 LYS HA 2.500 . 3.200 2.080 2.080 2.080 . 0 0 "[ ]" 1
641 1 44 THR HG1 1 47 SER HA 4.000 . 5.500 4.078 4.078 4.078 . 0 0 "[ ]" 1
642 1 56 GLU HB2 1 59 VAL HB 4.000 . 5.000 3.866 3.866 3.866 . 0 0 "[ ]" 1
643 1 53 ASP HB2 1 56 GLU HB2 4.000 . 5.000 4.089 4.089 4.089 . 0 0 "[ ]" 1
644 1 41 VAL MG1 1 49 GLN HA 3.000 . 3.800 2.987 2.987 2.987 . 0 0 "[ ]" 1
645 1 43 GLN HG3 1 49 GLN HA 4.000 . 5.000 3.616 3.616 3.616 . 0 0 "[ ]" 1
646 1 43 GLN HG2 1 49 GLN HA 2.500 . 2.700 2.614 2.614 2.614 . 0 0 "[ ]" 1
647 1 43 GLN HG3 1 49 GLN QB 4.000 . 5.500 4.321 4.321 4.321 . 0 0 "[ ]" 1
648 1 41 VAL MG1 1 49 GLN HG3 4.000 . 5.500 3.355 3.355 3.355 . 0 0 "[ ]" 1
649 1 43 GLN HG3 1 49 GLN HG3 3.000 . 3.300 2.883 2.883 2.883 . 0 0 "[ ]" 1
650 1 43 GLN HG2 1 49 GLN HG3 2.500 . 2.700 1.999 1.999 1.999 . 0 0 "[ ]" 1
651 1 41 VAL HB 1 49 GLN HG2 4.000 . 5.000 4.040 4.040 4.040 . 0 0 "[ ]" 1
652 1 41 VAL MG1 1 49 GLN HG2 2.500 . 3.200 1.980 1.980 1.980 . 0 0 "[ ]" 1
653 1 44 THR HG1 1 50 VAL HB 4.000 . 5.500 4.019 4.019 4.019 . 0 0 "[ ]" 1
654 1 42 PHE HB2 1 50 VAL HB 2.500 . 2.700 2.229 2.229 2.229 . 0 0 "[ ]" 1
655 1 16 THR HB 1 50 VAL HB 4.000 . 5.000 4.962 4.962 4.962 . 0 0 "[ ]" 1
656 1 44 THR HG1 1 50 VAL MG2 2.500 . 3.700 2.171 2.171 2.171 . 0 0 "[ ]" 1
657 1 16 THR HB 1 50 VAL MG2 4.000 . 5.500 4.130 4.130 4.130 . 0 0 "[ ]" 1
658 1 41 VAL HB 1 51 CYS HA 4.000 . 5.000 5.001 5.001 5.001 0.001 1 0 "[ ]" 1
659 1 15 TYR HA 1 51 CYS HB2 2.500 . 2.700 2.139 2.139 2.139 . 0 0 "[ ]" 1
660 1 52 ALA MB 1 59 VAL MG2 2.500 . 3.700 2.229 2.229 2.229 . 0 0 "[ ]" 1
661 1 40 VAL MG1 1 52 ALA MB 4.000 . 6.000 3.804 3.804 3.804 . 0 0 "[ ]" 1
662 1 52 ALA MB 1 59 VAL MG1 4.000 . 6.000 3.055 3.055 3.055 . 0 0 "[ ]" 1
663 1 39 ALA MB 1 53 ASP HA 4.000 . 5.500 4.180 4.180 4.180 . 0 0 "[ ]" 1
664 1 53 ASP HA 1 56 GLU HG3 4.000 . 5.000 4.595 4.595 4.595 . 0 0 "[ ]" 1
665 1 39 ALA HA 1 53 ASP HA 4.000 . 5.000 3.943 3.943 3.943 . 0 0 "[ ]" 1
666 1 53 ASP HB2 1 56 GLU HG3 2.500 . 2.700 2.143 2.143 2.143 . 0 0 "[ ]" 1
667 1 54 PRO HA 1 59 VAL MG1 2.500 . 3.200 2.452 2.452 2.452 . 0 0 "[ ]" 1
668 1 54 PRO HA 1 56 GLU HB2 4.000 . 5.000 4.774 4.774 4.774 . 0 0 "[ ]" 1
669 1 54 PRO HA 1 59 VAL HB 3.000 . 3.300 3.167 3.167 3.167 . 0 0 "[ ]" 1
670 1 54 PRO HB2 1 59 VAL MG1 4.000 . 5.500 4.862 4.862 4.862 . 0 0 "[ ]" 1
671 1 39 ALA MB 1 54 PRO HD3 3.000 . 3.800 3.227 3.227 3.227 . 0 0 "[ ]" 1
672 1 39 ALA MB 1 54 PRO HD2 4.000 . 5.500 4.006 4.006 4.006 . 0 0 "[ ]" 1
673 1 53 ASP HB2 1 56 GLU HB3 4.000 . 5.000 4.998 4.998 4.998 . 0 0 "[ ]" 1
674 1 53 ASP HB2 1 56 GLU HG2 4.000 . 5.000 3.574 3.574 3.574 . 0 0 "[ ]" 1
675 1 47 SER QB 1 50 VAL MG2 4.000 . 6.000 3.276 3.276 3.276 . 0 0 "[ ]" 1
676 1 58 TRP HA 1 61 GLU QB 2.500 . 3.200 2.303 2.303 2.303 . 0 0 "[ ]" 1
677 1 54 PRO HG3 1 59 VAL MG2 4.000 . 5.500 4.732 4.732 4.732 . 0 0 "[ ]" 1
678 1 56 GLU HB2 1 59 VAL MG2 2.500 . 3.200 1.917 1.917 1.917 . 0 0 "[ ]" 1
679 1 54 PRO HG3 1 59 VAL MG1 4.000 . 5.500 3.912 3.912 3.912 . 0 0 "[ ]" 1
680 1 56 GLU HB2 1 59 VAL MG1 4.000 . 5.500 4.586 4.586 4.586 . 0 0 "[ ]" 1
681 1 60 GLN HA 1 63 VAL MG2 2.500 . 3.200 2.204 2.204 2.204 . 0 0 "[ ]" 1
682 1 60 GLN HA 1 63 VAL MG1 4.000 . 5.500 3.837 3.837 3.837 . 0 0 "[ ]" 1
683 1 60 GLN HA 1 63 VAL HB 2.500 . 2.700 2.538 2.538 2.538 . 0 0 "[ ]" 1
684 1 57 SER HA 1 60 GLN QB 4.000 . 5.500 3.427 3.427 3.427 . 0 0 "[ ]" 1
685 1 61 GLU HA 1 64 TYR HB3 4.000 . 5.000 3.682 3.682 3.682 . 0 0 "[ ]" 1
686 1 61 GLU HA 1 64 TYR HB2 4.000 . 5.000 3.629 3.629 3.629 . 0 0 "[ ]" 1
687 1 62 TYR HA 1 65 ASP HB3 4.000 . 5.000 3.968 3.968 3.968 . 0 0 "[ ]" 1
688 1 62 TYR HA 1 65 ASP HB2 2.500 . 2.700 2.318 2.318 2.318 . 0 0 "[ ]" 1
689 1 63 VAL HA 1 66 LEU HG 4.000 . 5.000 3.760 3.760 3.760 . 0 0 "[ ]" 1
690 1 65 ASP HA 1 68 LEU MD1 2.500 . 3.200 2.216 2.216 2.216 . 0 0 "[ ]" 1
691 1 65 ASP HA 1 68 LEU QB 2.500 . 3.200 2.522 2.522 2.522 . 0 0 "[ ]" 1
692 1 65 ASP HA 1 68 LEU HG 4.000 . 5.000 3.373 3.373 3.373 . 0 0 "[ ]" 1
693 1 22 ARG QB 1 66 LEU HA 4.000 . 5.500 4.502 4.502 4.502 . 0 0 "[ ]" 1
694 1 63 VAL HB 1 66 LEU MD1 4.000 . 5.500 4.982 4.982 4.982 . 0 0 "[ ]" 1
695 1 28 TYR HB3 1 66 LEU MD1 4.000 . 5.500 3.305 3.305 3.305 . 0 0 "[ ]" 1
696 1 62 TYR HB3 1 66 LEU MD1 4.000 . 5.500 3.301 3.301 3.301 . 0 0 "[ ]" 1
697 1 63 VAL HA 1 66 LEU MD1 2.500 . 3.200 2.393 2.393 2.393 . 0 0 "[ ]" 1
698 1 25 VAL HB 1 66 LEU MD2 4.000 . 5.500 3.670 3.670 3.670 . 0 0 "[ ]" 1
699 1 64 TYR HB3 1 68 LEU HG 4.000 . 5.000 4.583 4.583 4.583 . 0 0 "[ ]" 1
700 1 64 TYR HA 1 68 LEU HG 4.000 . 5.000 4.361 4.361 4.361 . 0 0 "[ ]" 1
701 1 9 THR HA 1 34 LEU MD1 4.000 . 5.500 4.583 4.583 4.583 . 0 0 "[ ]" 1
702 1 9 THR HB 1 34 LEU MD1 4.000 . 5.500 3.448 3.448 3.448 . 0 0 "[ ]" 1
703 1 9 THR HB 1 32 SER HB3 4.000 . 5.000 2.943 2.943 2.943 . 0 0 "[ ]" 1
704 1 26 VAL MG1 1 45 LYS HA 4.000 . 5.500 4.406 4.406 4.406 . 0 0 "[ ]" 1
705 1 26 VAL MG2 1 45 LYS HG2 2.500 . 3.200 1.940 1.940 1.940 . 0 0 "[ ]" 1
706 1 64 TYR HA 1 68 LEU MD1 4.000 . 5.500 4.457 4.457 4.457 . 0 0 "[ ]" 1
707 1 10 ALA H 1 32 SER HB3 4.000 . 5.200 3.407 3.407 3.407 . 0 0 "[ ]" 1
708 1 12 CYS HB3 1 14 SER H 4.000 . 5.200 3.661 3.661 3.661 . 0 0 "[ ]" 1
709 1 12 CYS HB2 1 14 SER H 4.000 . 5.200 4.938 4.938 4.938 . 0 0 "[ ]" 1
710 1 12 CYS HA 1 14 SER H 4.000 . 5.200 3.997 3.997 3.997 . 0 0 "[ ]" 1
711 1 16 THR H 1 51 CYS HA 4.000 . 5.200 5.177 5.177 5.177 . 0 0 "[ ]" 1
712 1 16 THR HG1 1 18 ARG H 4.000 . 5.700 1.939 1.939 1.939 . 0 0 "[ ]" 1
713 1 16 THR HA 1 18 ARG H 4.000 . 5.200 3.939 3.939 3.939 . 0 0 "[ ]" 1
714 1 16 THR HB 1 18 ARG H 4.000 . 5.200 4.504 4.504 4.504 . 0 0 "[ ]" 1
715 1 21 PRO HB2 1 23 ASN H 3.000 . 3.500 3.128 3.128 3.128 . 0 0 "[ ]" 1
716 1 21 PRO HB2 1 24 PHE H 2.500 . 2.900 2.645 2.645 2.645 . 0 0 "[ ]" 1
717 1 22 ARG QB 1 24 PHE H 4.000 . 5.700 4.803 4.803 4.803 . 0 0 "[ ]" 1
718 1 22 ARG H 1 24 PHE H 4.000 . 5.400 4.153 4.153 4.153 . 0 0 "[ ]" 1
719 1 23 ASN HA 1 25 VAL H 4.000 . 5.200 3.599 3.599 3.599 . 0 0 "[ ]" 1
720 1 26 VAL H 1 45 LYS HA 4.000 . 5.200 4.580 4.580 4.580 . 0 0 "[ ]" 1
721 1 26 VAL H 1 44 THR HA 3.000 . 3.500 2.958 2.958 2.958 . 0 0 "[ ]" 1
722 1 25 VAL MG1 1 27 ASP H 3.000 . 4.000 2.932 2.932 2.932 . 0 0 "[ ]" 1
723 1 25 VAL HA 1 27 ASP H 4.000 . 5.200 4.641 4.641 4.641 . 0 0 "[ ]" 1
724 1 27 ASP H 1 43 GLN H 4.000 . 5.400 3.912 3.912 3.912 . 0 0 "[ ]" 1
725 1 28 TYR H 1 66 LEU MD1 4.000 . 5.700 4.271 4.271 4.271 . 0 0 "[ ]" 1
726 1 29 TYR H 1 40 VAL MG1 4.000 . 5.700 3.501 3.501 3.501 . 0 0 "[ ]" 1
727 1 29 TYR H 1 41 VAL HB 3.000 . 3.500 2.719 2.719 2.719 . 0 0 "[ ]" 1
728 1 29 TYR H 1 41 VAL MG1 4.000 . 5.700 3.727 3.727 3.727 . 0 0 "[ ]" 1
729 1 29 TYR H 1 41 VAL MG2 4.000 . 5.700 4.117 4.117 4.117 . 0 0 "[ ]" 1
730 1 29 TYR H 1 41 VAL H 3.000 . 3.700 3.123 3.123 3.123 . 0 0 "[ ]" 1
731 1 31 THR H 1 40 VAL MG2 4.000 . 5.700 5.032 5.032 5.032 . 0 0 "[ ]" 1
732 1 31 THR H 1 41 VAL MG2 4.000 . 5.700 4.404 4.404 4.404 . 0 0 "[ ]" 1
733 1 31 THR H 1 40 VAL HA 4.000 . 5.200 4.465 4.465 4.465 . 0 0 "[ ]" 1
734 1 31 THR H 1 38 PRO HA 4.000 . 5.200 4.788 4.788 4.788 . 0 0 "[ ]" 1
735 1 31 THR H 1 41 VAL H 4.000 . 5.400 4.958 4.958 4.958 . 0 0 "[ ]" 1
736 1 10 ALA HA 1 32 SER H 4.000 . 5.200 4.260 4.260 4.260 . 0 0 "[ ]" 1
737 1 32 SER HB2 1 34 LEU H 4.000 . 5.200 4.299 4.299 4.299 . 0 0 "[ ]" 1
738 1 9 THR HB 1 34 LEU H 4.000 . 5.200 5.201 5.201 5.201 0.001 1 0 "[ ]" 1
739 1 35 CYS HB2 1 37 GLN H 3.000 . 3.500 3.382 3.382 3.382 . 0 0 "[ ]" 1
740 1 35 CYS HB3 1 37 GLN H 2.500 . 2.900 2.411 2.411 2.411 . 0 0 "[ ]" 1
741 1 35 CYS HA 1 37 GLN H 4.000 . 5.200 3.913 3.913 3.913 . 0 0 "[ ]" 1
742 1 31 THR HG1 1 39 ALA H 4.000 . 5.700 2.210 2.210 2.210 . 0 0 "[ ]" 1
743 1 39 ALA H 1 54 PRO HG2 4.000 . 5.200 3.603 3.603 3.603 . 0 0 "[ ]" 1
744 1 40 VAL H 1 54 PRO HD3 2.500 . 2.900 2.552 2.552 2.552 . 0 0 "[ ]" 1
745 1 40 VAL H 1 54 PRO HD2 4.000 . 5.200 4.073 4.073 4.073 . 0 0 "[ ]" 1
746 1 40 VAL H 1 51 CYS HA 4.000 . 5.200 4.865 4.865 4.865 . 0 0 "[ ]" 1
747 1 30 GLU HA 1 41 VAL H 3.000 . 3.500 3.293 3.293 3.293 . 0 0 "[ ]" 1
748 1 42 PHE H 1 50 VAL HB 3.000 . 3.500 3.033 3.033 3.033 . 0 0 "[ ]" 1
749 1 25 VAL MG1 1 43 GLN H 4.000 . 5.700 3.677 3.677 3.677 . 0 0 "[ ]" 1
750 1 43 GLN H 1 49 GLN HG2 4.000 . 5.200 4.139 4.139 4.139 . 0 0 "[ ]" 1
751 1 28 TYR HB3 1 43 GLN H 4.000 . 5.200 4.724 4.724 4.724 . 0 0 "[ ]" 1
752 1 27 ASP HB2 1 43 GLN H 4.000 . 5.200 4.859 4.859 4.859 . 0 0 "[ ]" 1
753 1 28 TYR HA 1 43 GLN H 3.000 . 3.500 2.604 2.604 2.604 . 0 0 "[ ]" 1
754 1 44 THR H 1 48 LYS H 4.000 . 5.400 4.990 4.990 4.990 . 0 0 "[ ]" 1
755 1 26 VAL MG2 1 45 LYS H 3.000 . 4.000 3.077 3.077 3.077 . 0 0 "[ ]" 1
756 1 25 VAL HA 1 45 LYS H 4.000 . 5.200 3.351 3.351 3.351 . 0 0 "[ ]" 1
757 1 45 LYS HB2 1 47 SER H 4.000 . 5.200 4.252 4.252 4.252 . 0 0 "[ ]" 1
758 1 43 GLN HG3 1 49 GLN H 4.000 . 5.200 5.201 5.201 5.201 0.001 1 0 "[ ]" 1
759 1 43 GLN HG2 1 49 GLN H 4.000 . 5.200 3.717 3.717 3.717 . 0 0 "[ ]" 1
760 1 41 VAL HB 1 50 VAL H 4.000 . 5.200 4.925 4.925 4.925 . 0 0 "[ ]" 1
761 1 41 VAL MG1 1 50 VAL H 2.500 . 3.400 2.315 2.315 2.315 . 0 0 "[ ]" 1
762 1 41 VAL MG2 1 50 VAL H 4.000 . 5.700 4.595 4.595 4.595 . 0 0 "[ ]" 1
763 1 44 THR HG1 1 50 VAL H 4.000 . 5.700 4.856 4.856 4.856 . 0 0 "[ ]" 1
764 1 16 THR HB 1 51 CYS H 4.000 . 5.200 3.771 3.771 3.771 . 0 0 "[ ]" 1
765 1 15 TYR HA 1 51 CYS H 4.000 . 5.200 3.768 3.768 3.768 . 0 0 "[ ]" 1
766 1 41 VAL MG1 1 52 ALA H 4.000 . 5.700 5.115 5.115 5.115 . 0 0 "[ ]" 1
767 1 41 VAL MG2 1 52 ALA H 4.000 . 5.700 4.332 4.332 4.332 . 0 0 "[ ]" 1
768 1 40 VAL HB 1 52 ALA H 4.000 . 5.200 3.830 3.830 3.830 . 0 0 "[ ]" 1
769 1 39 ALA MB 1 52 ALA H 3.000 . 4.000 3.594 3.594 3.594 . 0 0 "[ ]" 1
770 1 41 VAL HA 1 52 ALA H 4.000 . 5.200 3.524 3.524 3.524 . 0 0 "[ ]" 1
771 1 15 TYR HA 1 52 ALA H 4.000 . 5.200 4.761 4.761 4.761 . 0 0 "[ ]" 1
772 1 39 ALA HA 1 52 ALA H 4.000 . 5.200 4.615 4.615 4.615 . 0 0 "[ ]" 1
773 1 40 VAL H 1 52 ALA H 4.000 . 5.400 3.329 3.329 3.329 . 0 0 "[ ]" 1
774 1 53 ASP H 1 59 VAL MG2 4.000 . 5.700 3.985 3.985 3.985 . 0 0 "[ ]" 1
775 1 53 ASP H 1 56 GLU HG3 4.000 . 5.200 4.041 4.041 4.041 . 0 0 "[ ]" 1
776 1 56 GLU H 1 59 VAL MG2 3.000 . 4.000 3.360 3.360 3.360 . 0 0 "[ ]" 1
777 1 53 ASP HB3 1 56 GLU H 3.000 . 3.500 3.180 3.180 3.180 . 0 0 "[ ]" 1
778 1 53 ASP HB2 1 56 GLU H 4.000 . 5.200 3.485 3.485 3.485 . 0 0 "[ ]" 1
779 1 54 PRO HA 1 56 GLU H 4.000 . 5.200 4.080 4.080 4.080 . 0 0 "[ ]" 1
780 1 56 GLU HB2 1 58 TRP H 4.000 . 5.200 3.921 3.921 3.921 . 0 0 "[ ]" 1
781 1 56 GLU HB3 1 58 TRP H 3.000 . 3.500 3.096 3.096 3.096 . 0 0 "[ ]" 1
782 1 56 GLU HA 1 58 TRP H 4.000 . 5.200 4.450 4.450 4.450 . 0 0 "[ ]" 1
783 1 57 SER HA 1 60 GLN H 4.000 . 5.200 3.490 3.490 3.490 . 0 0 "[ ]" 1
784 1 57 SER QB 1 60 GLN H 4.000 . 5.700 4.878 4.878 4.878 . 0 0 "[ ]" 1
785 1 63 VAL H 1 66 LEU HG 4.000 . 5.200 5.049 5.049 5.049 . 0 0 "[ ]" 1
786 1 63 VAL H 1 65 ASP HB2 4.000 . 5.200 5.112 5.112 5.112 . 0 0 "[ ]" 1
787 1 60 GLN HA 1 63 VAL H 4.000 . 5.200 3.414 3.414 3.414 . 0 0 "[ ]" 1
788 1 60 GLN H 1 63 VAL H 4.000 . 5.400 4.865 4.865 4.865 . 0 0 "[ ]" 1
789 1 63 VAL H 1 65 ASP H 4.000 . 5.400 4.109 4.109 4.109 . 0 0 "[ ]" 1
790 1 61 GLU H 1 64 TYR H 4.000 . 5.400 4.815 4.815 4.815 . 0 0 "[ ]" 1
791 1 64 TYR H 1 66 LEU H 4.000 . 5.400 3.858 3.858 3.858 . 0 0 "[ ]" 1
792 1 63 VAL HB 1 65 ASP H 4.000 . 5.200 5.081 5.081 5.081 . 0 0 "[ ]" 1
793 1 63 VAL HA 1 65 ASP H 4.000 . 5.200 4.574 4.574 4.574 . 0 0 "[ ]" 1
794 1 62 TYR HA 1 65 ASP H 3.000 . 3.500 3.169 3.169 3.169 . 0 0 "[ ]" 1
795 1 66 LEU H 1 68 LEU QB 4.000 . 5.700 5.066 5.066 5.066 . 0 0 "[ ]" 1
796 1 62 TYR HB3 1 66 LEU H 4.000 . 5.200 4.836 4.836 4.836 . 0 0 "[ ]" 1
797 1 63 VAL HA 1 66 LEU H 4.000 . 5.200 3.842 3.842 3.842 . 0 0 "[ ]" 1
798 1 64 TYR HB3 1 66 LEU H 4.000 . 5.200 4.990 4.990 4.990 . 0 0 "[ ]" 1
799 1 64 TYR HA 1 66 LEU H 4.000 . 5.200 4.152 4.152 4.152 . 0 0 "[ ]" 1
800 1 66 LEU H 1 68 LEU H 4.000 . 5.400 3.988 3.988 3.988 . 0 0 "[ ]" 1
801 1 64 TYR HA 1 68 LEU H 4.000 . 5.200 4.637 4.637 4.637 . 0 0 "[ ]" 1
802 1 66 LEU HA 1 68 LEU H 4.000 . 5.200 4.281 4.281 4.281 . 0 0 "[ ]" 1
803 1 9 THR H 1 11 CYS H 4.000 . 5.400 3.195 3.195 3.195 . 0 0 "[ ]" 1
804 1 56 GLU HA 1 59 VAL H 4.000 . 5.200 5.059 5.059 5.059 . 0 0 "[ ]" 1
805 1 16 THR H 1 50 VAL MG1 4.000 . 5.700 3.960 3.960 3.960 . 0 0 "[ ]" 1
806 1 16 THR H 1 52 ALA MB 4.000 . 5.700 3.928 3.928 3.928 . 0 0 "[ ]" 1
807 1 27 ASP H 1 43 GLN QB 3.000 . 3.800 2.933 2.933 2.933 . 0 0 "[ ]" 1
808 1 45 LYS HA 1 47 SER H 4.000 . 5.200 4.922 4.922 4.922 . 0 0 "[ ]" 1
809 1 15 TYR HB3 1 53 ASP H 3.000 . 3.500 3.132 3.132 3.132 . 0 0 "[ ]" 1
810 1 56 GLU H 1 59 VAL HB 4.000 . 5.200 4.739 4.739 4.739 . 0 0 "[ ]" 1
811 1 54 PRO HB2 1 56 GLU H 4.000 . 5.200 5.172 5.172 5.172 . 0 0 "[ ]" 1
812 1 54 PRO HD2 1 56 GLU H 4.000 . 5.200 5.097 5.097 5.097 . 0 0 "[ ]" 1
813 1 58 TRP H 1 60 GLN H 4.000 . 5.400 4.781 4.781 4.781 . 0 0 "[ ]" 1
814 1 64 TYR HA 1 67 GLU H 4.000 . 5.200 3.558 3.558 3.558 . 0 0 "[ ]" 1
815 1 28 TYR QD 1 30 GLU H 4.000 . 5.700 4.345 4.345 4.345 . 0 0 "[ ]" 1
816 1 28 TYR QD 1 41 VAL H 4.000 . 5.700 5.098 5.098 5.098 . 0 0 "[ ]" 1
817 1 15 TYR QD 1 53 ASP H 3.000 . 4.000 3.904 3.904 3.904 . 0 0 "[ ]" 1
818 1 19 LYS HA 1 58 TRP HZ2 4.000 . 5.000 5.003 5.003 5.003 0.003 1 0 "[ ]" 1
819 1 19 LYS HA 1 58 TRP HH2 3.000 . 3.300 2.805 2.805 2.805 . 0 0 "[ ]" 1
820 1 19 LYS HB2 1 58 TRP HH2 4.000 . 5.000 4.942 4.942 4.942 . 0 0 "[ ]" 1
821 1 19 LYS HG3 1 58 TRP HH2 4.000 . 5.000 4.692 4.692 4.692 . 0 0 "[ ]" 1
822 1 25 VAL MG1 1 42 PHE QD 2.500 . 3.700 2.223 2.223 2.223 . 0 0 "[ ]" 1
823 1 25 VAL MG2 1 42 PHE QD 4.000 . 6.000 3.753 3.753 3.753 . 0 0 "[ ]" 1
824 1 28 TYR HA 1 42 PHE QD 3.000 . 3.800 3.029 3.029 3.029 . 0 0 "[ ]" 1
825 1 28 TYR HB3 1 42 PHE QD 3.000 . 3.800 2.572 2.572 2.572 . 0 0 "[ ]" 1
826 1 28 TYR HB2 1 42 PHE QD 4.000 . 5.500 3.831 3.831 3.831 . 0 0 "[ ]" 1
827 1 15 TYR QD 1 39 ALA MB 4.000 . 6.000 3.184 3.184 3.184 . 0 0 "[ ]" 1
828 1 40 VAL HB 1 42 PHE QD 4.000 . 5.500 4.515 4.515 4.515 . 0 0 "[ ]" 1
829 1 28 TYR QD 1 40 VAL MG1 4.000 . 6.000 3.818 3.818 3.818 . 0 0 "[ ]" 1
830 1 29 TYR QD 1 41 VAL MG1 4.000 . 6.000 3.950 3.950 3.950 . 0 0 "[ ]" 1
831 1 15 TYR QD 1 52 ALA MB 4.000 . 6.000 4.630 4.630 4.630 . 0 0 "[ ]" 1
832 1 42 PHE QD 1 52 ALA MB 3.000 . 4.300 2.871 2.871 2.871 . 0 0 "[ ]" 1
833 1 52 ALA MB 1 58 TRP HZ2 2.500 . 3.200 2.578 2.578 2.578 . 0 0 "[ ]" 1
834 1 42 PHE QD 1 59 VAL MG1 4.000 . 6.000 4.106 4.106 4.106 . 0 0 "[ ]" 1
835 1 28 TYR QD 1 63 VAL MG1 4.000 . 6.000 4.383 4.383 4.383 . 0 0 "[ ]" 1
836 1 28 TYR QD 1 66 LEU HB3 4.000 . 5.500 4.423 4.423 4.423 . 0 0 "[ ]" 1
837 1 28 TYR QD 1 66 LEU MD1 2.500 . 3.700 2.113 2.113 2.113 . 0 0 "[ ]" 1
838 1 28 TYR QD 1 66 LEU MD2 4.000 . 6.000 3.697 3.697 3.697 . 0 0 "[ ]" 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 20
_Distance_constraint_stats_list.Viol_count 2
_Distance_constraint_stats_list.Viol_total 0.006
_Distance_constraint_stats_list.Viol_max 0.005
_Distance_constraint_stats_list.Viol_rms 0.0011
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0003
_Distance_constraint_stats_list.Viol_average_violations_only 0.0030
_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 21 PRO 0.000 0.000 . 0 "[ ]"
1 22 ARG 0.000 0.000 . 0 "[ ]"
1 24 PHE 0.000 0.000 . 0 "[ ]"
1 25 VAL 0.000 0.000 . 0 "[ ]"
1 44 THR 0.005 0.005 1 0 "[ ]"
1 48 LYS 0.005 0.005 1 0 "[ ]"
1 53 ASP 0.000 0.000 . 0 "[ ]"
1 56 GLU 0.000 0.000 . 0 "[ ]"
1 57 SER 0.000 0.000 . 0 "[ ]"
1 58 TRP 0.000 0.000 . 0 "[ ]"
1 59 VAL 0.000 0.000 . 0 "[ ]"
1 60 GLN 0.000 0.000 . 0 "[ ]"
1 61 GLU 0.001 0.001 1 0 "[ ]"
1 62 TYR 0.000 0.000 . 0 "[ ]"
1 63 VAL 0.000 0.000 . 0 "[ ]"
1 64 TYR 0.000 0.000 . 0 "[ ]"
1 65 ASP 0.001 0.001 1 0 "[ ]"
1 66 LEU 0.000 0.000 . 0 "[ ]"
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 21 PRO O 1 24 PHE H 2.200 . 2.400 2.079 2.079 2.079 . 0 0 "[ ]" 2
2 1 22 ARG O 1 25 VAL H 2.200 . 2.400 2.249 2.249 2.249 . 0 0 "[ ]" 2
3 1 44 THR H 1 48 LYS O 2.200 . 2.400 2.405 2.405 2.405 0.005 1 0 "[ ]" 2
4 1 53 ASP O 1 56 GLU H 2.200 . 2.400 2.137 2.137 2.137 . 0 0 "[ ]" 2
5 1 57 SER O 1 61 GLU H 2.200 . 2.400 2.208 2.208 2.208 . 0 0 "[ ]" 2
6 1 58 TRP O 1 62 TYR H 2.200 . 2.400 2.278 2.278 2.278 . 0 0 "[ ]" 2
7 1 59 VAL O 1 63 VAL H 2.200 . 2.400 2.140 2.140 2.140 . 0 0 "[ ]" 2
8 1 60 GLN O 1 64 TYR H 2.200 . 2.400 2.258 2.258 2.258 . 0 0 "[ ]" 2
9 1 61 GLU O 1 65 ASP H 2.200 . 2.400 1.999 1.999 1.999 0.001 1 0 "[ ]" 2
10 1 62 TYR O 1 66 LEU H 2.200 . 2.400 2.013 2.013 2.013 . 0 0 "[ ]" 2
11 1 21 PRO O 1 24 PHE N 3.200 2.700 3.400 2.917 2.917 2.917 . 0 0 "[ ]" 2
12 1 22 ARG O 1 25 VAL N 3.200 2.700 3.400 2.996 2.996 2.996 . 0 0 "[ ]" 2
13 1 44 THR N 1 48 LYS O 3.200 2.700 3.400 3.354 3.354 3.354 . 0 0 "[ ]" 2
14 1 53 ASP O 1 56 GLU N 3.200 2.700 3.400 3.003 3.003 3.003 . 0 0 "[ ]" 2
15 1 57 SER O 1 61 GLU N 3.200 2.700 3.400 3.122 3.122 3.122 . 0 0 "[ ]" 2
16 1 58 TRP O 1 62 TYR N 3.200 2.700 3.400 3.238 3.238 3.238 . 0 0 "[ ]" 2
17 1 59 VAL O 1 63 VAL N 3.200 2.700 3.400 3.085 3.085 3.085 . 0 0 "[ ]" 2
18 1 60 GLN O 1 64 TYR N 3.200 2.700 3.400 3.039 3.039 3.039 . 0 0 "[ ]" 2
19 1 61 GLU O 1 65 ASP N 3.200 2.700 3.400 2.910 2.910 2.910 . 0 0 "[ ]" 2
20 1 62 TYR O 1 66 LEU N 3.200 2.700 3.400 2.908 2.908 2.908 . 0 0 "[ ]" 2
stop_
save_
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