NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
379890 |
1i6f   |
5029 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1i6f
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 755
_Distance_constraint_stats_list.Viol_count 7
_Distance_constraint_stats_list.Viol_total 0.207
_Distance_constraint_stats_list.Viol_max 0.067
_Distance_constraint_stats_list.Viol_rms 0.0036
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0003
_Distance_constraint_stats_list.Viol_average_violations_only 0.0296
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 1 LYS 0.000 0.000 . 0 "[ ]"
1 2 ASP 0.000 0.000 . 0 "[ ]"
1 3 GLY 0.009 0.009 1 0 "[ ]"
1 4 TYR 0.019 0.010 1 0 "[ ]"
1 5 PRO 0.000 0.000 . 0 "[ ]"
1 6 VAL 0.129 0.067 1 0 "[ ]"
1 7 ASP 0.062 0.062 1 0 "[ ]"
1 8 SER 0.000 0.000 . 0 "[ ]"
1 9 LYS 0.000 0.000 . 0 "[ ]"
1 10 GLY 0.000 0.000 . 0 "[ ]"
1 11 CYS 0.000 0.000 . 0 "[ ]"
1 12 LYS 0.000 0.000 . 0 "[ ]"
1 13 LEU 0.000 0.000 . 0 "[ ]"
1 14 SER 0.000 0.000 . 0 "[ ]"
1 15 CYS 0.000 0.000 . 0 "[ ]"
1 16 VAL 0.000 0.000 . 0 "[ ]"
1 17 ALA 0.000 0.000 . 0 "[ ]"
1 18 ASN 0.000 0.000 . 0 "[ ]"
1 19 ASN 0.000 0.000 . 0 "[ ]"
1 20 TYR 0.000 0.000 . 0 "[ ]"
1 21 CYS 0.000 0.000 . 0 "[ ]"
1 22 ASP 0.000 0.000 . 0 "[ ]"
1 23 ASN 0.009 0.009 1 0 "[ ]"
1 24 GLN 0.000 0.000 . 0 "[ ]"
1 25 CYS 0.030 0.030 1 0 "[ ]"
1 26 LYS 0.039 0.030 1 0 "[ ]"
1 27 MET 0.000 0.000 . 0 "[ ]"
1 28 LYS 0.000 0.000 . 0 "[ ]"
1 29 LYS 0.000 0.000 . 0 "[ ]"
1 30 ALA 0.000 0.000 . 0 "[ ]"
1 31 SER 0.000 0.000 . 0 "[ ]"
1 32 GLY 0.000 0.000 . 0 "[ ]"
1 33 GLY 0.000 0.000 . 0 "[ ]"
1 34 HIS 0.000 0.000 . 0 "[ ]"
1 35 CYS 0.000 0.000 . 0 "[ ]"
1 36 TYR 0.000 0.000 . 0 "[ ]"
1 37 ALA 0.000 0.000 . 0 "[ ]"
1 38 MET 0.000 0.000 . 0 "[ ]"
1 39 SER 0.000 0.000 . 0 "[ ]"
1 40 CYS 0.000 0.000 . 0 "[ ]"
1 41 TYR 0.000 0.000 . 0 "[ ]"
1 42 CYS 0.000 0.000 . 0 "[ ]"
1 43 GLU 0.000 0.000 . 0 "[ ]"
1 44 GLY 0.000 0.000 . 0 "[ ]"
1 45 LEU 0.019 0.019 1 0 "[ ]"
1 46 PRO 0.019 0.019 1 0 "[ ]"
1 47 GLU 0.000 0.000 . 0 "[ ]"
1 48 ASN 0.000 0.000 . 0 "[ ]"
1 49 ALA 0.000 0.000 . 0 "[ ]"
1 50 LYS 0.000 0.000 . 0 "[ ]"
1 51 VAL 0.000 0.000 . 0 "[ ]"
1 52 SER 0.067 0.067 1 0 "[ ]"
1 53 ASP 0.010 0.010 1 0 "[ ]"
1 54 SER 0.000 0.000 . 0 "[ ]"
1 55 ALA 0.000 0.000 . 0 "[ ]"
1 56 THR 0.000 0.000 . 0 "[ ]"
1 57 ASN 0.000 0.000 . 0 "[ ]"
1 58 ILE 0.000 0.000 . 0 "[ ]"
1 59 CYS 0.000 0.000 . 0 "[ ]"
1 60 GLY 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 1 LYS HA 1 1 LYS HB3 3.000 . 3.300 2.541 2.541 2.541 . 0 0 "[ ]" 1
2 1 1 LYS HA 1 1 LYS HB2 3.000 . 3.300 2.415 2.415 2.415 . 0 0 "[ ]" 1
3 1 1 LYS HA 1 2 ASP H 2.300 . 2.500 2.374 2.374 2.374 . 0 0 "[ ]" 1
4 1 1 LYS HB3 1 2 ASP H 4.000 . 5.000 4.092 4.092 4.092 . 0 0 "[ ]" 1
5 1 1 LYS HB2 1 2 ASP H 3.000 . 3.300 2.828 2.828 2.828 . 0 0 "[ ]" 1
6 1 1 LYS HG3 1 2 ASP H 4.000 . 5.000 3.562 3.562 3.562 . 0 0 "[ ]" 1
7 1 1 LYS HG2 1 2 ASP H 4.000 . 5.000 4.715 4.715 4.715 . 0 0 "[ ]" 1
8 1 1 LYS QB 1 47 GLU HA 4.000 . 6.000 3.042 3.042 3.042 . 0 0 "[ ]" 1
9 1 1 LYS QG 1 47 GLU HA 4.000 . 6.000 2.840 2.840 2.840 . 0 0 "[ ]" 1
10 1 1 LYS QD 1 47 GLU HA 4.000 . 6.000 1.910 1.910 1.910 . 0 0 "[ ]" 1
11 1 1 LYS HE3 1 47 GLU HA 4.000 . 5.000 4.773 4.773 4.773 . 0 0 "[ ]" 1
12 1 1 LYS HE2 1 47 GLU HA 4.000 . 5.000 3.992 3.992 3.992 . 0 0 "[ ]" 1
13 1 1 LYS HE3 1 49 ALA MB 4.000 . 6.100 3.291 3.291 3.291 . 0 0 "[ ]" 1
14 1 1 LYS HE2 1 49 ALA MB 4.000 . 6.100 2.176 2.176 2.176 . 0 0 "[ ]" 1
15 1 1 LYS HE3 1 51 VAL MG1 4.000 . 6.100 3.574 3.574 3.574 . 0 0 "[ ]" 1
16 1 1 LYS HE2 1 51 VAL MG1 4.000 . 6.100 3.531 3.531 3.531 . 0 0 "[ ]" 1
17 1 1 LYS HE3 1 51 VAL MG2 4.000 . 6.100 1.959 1.959 1.959 . 0 0 "[ ]" 1
18 1 1 LYS HE2 1 51 VAL MG2 4.000 . 6.100 2.680 2.680 2.680 . 0 0 "[ ]" 1
19 1 2 ASP H 1 2 ASP HB3 4.000 . 5.000 3.654 3.654 3.654 . 0 0 "[ ]" 1
20 1 2 ASP H 1 2 ASP HB2 3.000 . 3.300 2.564 2.564 2.564 . 0 0 "[ ]" 1
21 1 2 ASP HA 1 2 ASP HB3 3.000 . 3.300 2.406 2.406 2.406 . 0 0 "[ ]" 1
22 1 2 ASP HA 1 3 GLY H 2.300 . 2.500 2.361 2.361 2.361 . 0 0 "[ ]" 1
23 1 2 ASP HB3 1 3 GLY H 3.000 . 3.300 2.876 2.876 2.876 . 0 0 "[ ]" 1
24 1 2 ASP HB2 1 3 GLY H 4.000 . 5.000 3.708 3.708 3.708 . 0 0 "[ ]" 1
25 1 2 ASP H 1 3 GLY H 4.000 . 5.000 4.587 4.587 4.587 . 0 0 "[ ]" 1
26 1 2 ASP HB3 1 41 TYR HE2 3.000 . 3.500 2.791 2.791 2.791 . 0 0 "[ ]" 1
27 1 2 ASP HB2 1 41 TYR HE2 4.000 . 5.000 4.112 4.112 4.112 . 0 0 "[ ]" 1
28 1 2 ASP HA 1 43 GLU HA 3.000 . 3.300 2.512 2.512 2.512 . 0 0 "[ ]" 1
29 1 2 ASP HB2 1 43 GLU HA 4.000 . 5.000 4.000 4.000 4.000 . 0 0 "[ ]" 1
30 1 2 ASP HB3 1 43 GLU HA 4.000 . 5.000 2.570 2.570 2.570 . 0 0 "[ ]" 1
31 1 2 ASP HA 1 44 GLY H 3.000 . 3.300 2.505 2.505 2.505 . 0 0 "[ ]" 1
32 1 2 ASP HB2 1 44 GLY H 4.000 . 5.000 4.718 4.718 4.718 . 0 0 "[ ]" 1
33 1 2 ASP HB3 1 44 GLY H 4.000 . 5.000 3.960 3.960 3.960 . 0 0 "[ ]" 1
34 1 2 ASP HA 1 45 LEU H 3.000 . 3.300 3.039 3.039 3.039 . 0 0 "[ ]" 1
35 1 3 GLY HA3 1 4 TYR H 2.500 . 2.700 2.516 2.516 2.516 . 0 0 "[ ]" 1
36 1 3 GLY HA2 1 4 TYR H 2.500 . 2.700 2.709 2.709 2.709 0.009 1 0 "[ ]" 1
37 1 3 GLY H 1 4 TYR H 4.000 . 5.000 4.394 4.394 4.394 . 0 0 "[ ]" 1
38 1 3 GLY HA2 1 41 TYR QE 2.500 . 4.700 1.877 1.877 1.877 . 0 0 "[ ]" 1
39 1 3 GLY HA3 1 41 TYR QE 4.000 . 7.000 3.596 3.596 3.596 . 0 0 "[ ]" 1
40 1 3 GLY HA2 1 41 TYR QD 4.000 . 7.000 3.356 3.356 3.356 . 0 0 "[ ]" 1
41 1 3 GLY H 1 41 TYR QD 4.000 . 7.000 3.942 3.942 3.942 . 0 0 "[ ]" 1
42 1 3 GLY H 1 41 TYR QE 4.000 . 7.000 3.236 3.236 3.236 . 0 0 "[ ]" 1
43 1 3 GLY H 1 42 CYS H 3.000 . 3.300 3.235 3.235 3.235 . 0 0 "[ ]" 1
44 1 3 GLY H 1 43 GLU HA 4.000 . 5.000 3.803 3.803 3.803 . 0 0 "[ ]" 1
45 1 3 GLY H 1 45 LEU MD1 3.000 . 4.200 2.713 2.713 2.713 . 0 0 "[ ]" 1
46 1 3 GLY HA3 1 51 VAL HB 4.000 . 5.000 3.019 3.019 3.019 . 0 0 "[ ]" 1
47 1 3 GLY HA3 1 51 VAL MG1 4.000 . 6.100 3.497 3.497 3.497 . 0 0 "[ ]" 1
48 1 3 GLY HA3 1 51 VAL MG2 4.000 . 6.100 2.714 2.714 2.714 . 0 0 "[ ]" 1
49 1 4 TYR H 1 4 TYR HB3 4.000 . 5.000 3.664 3.664 3.664 . 0 0 "[ ]" 1
50 1 4 TYR H 1 4 TYR HB2 2.500 . 2.700 2.515 2.515 2.515 . 0 0 "[ ]" 1
51 1 4 TYR HA 1 4 TYR HB3 3.000 . 3.300 2.434 2.434 2.434 . 0 0 "[ ]" 1
52 1 4 TYR H 1 4 TYR QD 3.000 . 5.300 1.873 1.873 1.873 . 0 0 "[ ]" 1
53 1 4 TYR H 1 4 TYR QE 4.000 . 7.000 4.040 4.040 4.040 . 0 0 "[ ]" 1
54 1 4 TYR HA 1 4 TYR QE 4.000 . 7.000 4.737 4.737 4.737 . 0 0 "[ ]" 1
55 1 4 TYR HA 1 4 TYR QD 3.000 . 5.300 3.113 3.113 3.113 . 0 0 "[ ]" 1
56 1 4 TYR HB2 1 4 TYR QD 3.000 . 5.300 2.508 2.508 2.508 . 0 0 "[ ]" 1
57 1 4 TYR HB3 1 4 TYR QD 3.000 . 5.300 2.341 2.341 2.341 . 0 0 "[ ]" 1
58 1 4 TYR HA 1 5 PRO HD3 2.500 . 2.700 2.187 2.187 2.187 . 0 0 "[ ]" 1
59 1 4 TYR HA 1 5 PRO HD2 2.500 . 2.700 2.182 2.182 2.182 . 0 0 "[ ]" 1
60 1 4 TYR HB3 1 5 PRO QD 4.000 . 6.000 2.782 2.782 2.782 . 0 0 "[ ]" 1
61 1 4 TYR HB2 1 5 PRO QD 4.000 . 6.000 3.915 3.915 3.915 . 0 0 "[ ]" 1
62 1 4 TYR HB3 1 12 LYS QE 4.000 . 6.000 4.280 4.280 4.280 . 0 0 "[ ]" 1
63 1 4 TYR HB2 1 12 LYS QE 4.000 . 6.000 4.569 4.569 4.569 . 0 0 "[ ]" 1
64 1 4 TYR QD 1 12 LYS QB 4.000 . 8.000 4.150 4.150 4.150 . 0 0 "[ ]" 1
65 1 4 TYR QD 1 12 LYS QG 4.000 . 8.000 4.687 4.687 4.687 . 0 0 "[ ]" 1
66 1 4 TYR QD 1 12 LYS HE3 4.000 . 7.000 4.397 4.397 4.397 . 0 0 "[ ]" 1
67 1 4 TYR QD 1 12 LYS HE2 4.000 . 7.000 5.670 5.670 5.670 . 0 0 "[ ]" 1
68 1 4 TYR QD 1 12 LYS QE 4.000 . 8.000 4.255 4.255 4.255 . 0 0 "[ ]" 1
69 1 4 TYR QE 1 36 TYR H 4.000 . 7.000 4.571 4.571 4.571 . 0 0 "[ ]" 1
70 1 4 TYR QE 1 36 TYR HB2 4.000 . 7.000 4.337 4.337 4.337 . 0 0 "[ ]" 1
71 1 4 TYR QE 1 36 TYR HB3 4.000 . 7.000 3.114 3.114 3.114 . 0 0 "[ ]" 1
72 1 4 TYR QD 1 39 SER HB2 3.000 . 5.300 2.853 2.853 2.853 . 0 0 "[ ]" 1
73 1 4 TYR QD 1 39 SER HB3 3.000 . 5.300 2.918 2.918 2.918 . 0 0 "[ ]" 1
74 1 4 TYR QD 1 39 SER H 4.000 . 7.000 5.009 5.009 5.009 . 0 0 "[ ]" 1
75 1 4 TYR QD 1 39 SER HA 4.000 . 7.000 4.613 4.613 4.613 . 0 0 "[ ]" 1
76 1 4 TYR QE 1 39 SER HB2 3.000 . 5.300 3.192 3.192 3.192 . 0 0 "[ ]" 1
77 1 4 TYR QE 1 39 SER HB3 4.000 . 7.000 4.331 4.331 4.331 . 0 0 "[ ]" 1
78 1 4 TYR QE 1 39 SER H 4.000 . 7.000 4.860 4.860 4.860 . 0 0 "[ ]" 1
79 1 4 TYR HA 1 41 TYR HA 2.500 . 2.700 2.301 2.301 2.301 . 0 0 "[ ]" 1
80 1 4 TYR HA 1 41 TYR HE1 4.000 . 5.000 4.906 4.906 4.906 . 0 0 "[ ]" 1
81 1 4 TYR HA 1 41 TYR HD1 4.000 . 5.000 3.235 3.235 3.235 . 0 0 "[ ]" 1
82 1 4 TYR H 1 41 TYR HD1 4.000 . 5.000 3.775 3.775 3.775 . 0 0 "[ ]" 1
83 1 4 TYR H 1 41 TYR HE1 4.000 . 5.000 3.962 3.962 3.962 . 0 0 "[ ]" 1
84 1 4 TYR QD 1 41 TYR H 4.000 . 7.000 4.508 4.508 4.508 . 0 0 "[ ]" 1
85 1 4 TYR QE 1 41 TYR H 4.000 . 7.000 5.197 5.197 5.197 . 0 0 "[ ]" 1
86 1 4 TYR QE 1 41 TYR HD1 3.000 . 5.300 2.804 2.804 2.804 . 0 0 "[ ]" 1
87 1 4 TYR QD 1 41 TYR HD1 3.000 . 5.300 2.840 2.840 2.840 . 0 0 "[ ]" 1
88 1 4 TYR QD 1 41 TYR HE1 4.000 . 7.000 3.416 3.416 3.416 . 0 0 "[ ]" 1
89 1 4 TYR QE 1 41 TYR HE1 4.000 . 7.000 2.630 2.630 2.630 . 0 0 "[ ]" 1
90 1 4 TYR QD 1 41 TYR HA 4.000 . 7.000 3.299 3.299 3.299 . 0 0 "[ ]" 1
91 1 4 TYR QE 1 41 TYR QB 4.000 . 9.000 2.402 2.402 2.402 . 0 0 "[ ]" 1
92 1 4 TYR HA 1 42 CYS H 4.000 . 5.000 3.268 3.268 3.268 . 0 0 "[ ]" 1
93 1 4 TYR H 1 51 VAL HA 4.000 . 5.000 4.376 4.376 4.376 . 0 0 "[ ]" 1
94 1 4 TYR H 1 51 VAL HB 3.000 . 3.300 2.368 2.368 2.368 . 0 0 "[ ]" 1
95 1 4 TYR H 1 51 VAL MG2 4.000 . 6.100 3.489 3.489 3.489 . 0 0 "[ ]" 1
96 1 4 TYR H 1 51 VAL MG1 3.000 . 4.400 3.594 3.594 3.594 . 0 0 "[ ]" 1
97 1 4 TYR H 1 52 SER HB3 4.000 . 5.000 3.992 3.992 3.992 . 0 0 "[ ]" 1
98 1 4 TYR HD1 1 52 SER H 4.000 . 5.000 3.908 3.908 3.908 . 0 0 "[ ]" 1
99 1 4 TYR HB3 1 52 SER H 4.000 . 5.000 4.439 4.439 4.439 . 0 0 "[ ]" 1
100 1 4 TYR HB2 1 52 SER H 3.000 . 3.300 2.903 2.903 2.903 . 0 0 "[ ]" 1
101 1 4 TYR HB3 1 52 SER HB3 4.000 . 5.000 4.458 4.458 4.458 . 0 0 "[ ]" 1
102 1 4 TYR HB2 1 52 SER HB3 3.000 . 3.300 2.867 2.867 2.867 . 0 0 "[ ]" 1
103 1 4 TYR HB2 1 52 SER HB2 4.000 . 5.000 4.213 4.213 4.213 . 0 0 "[ ]" 1
104 1 4 TYR H 1 52 SER H 3.000 . 3.300 3.076 3.076 3.076 . 0 0 "[ ]" 1
105 1 4 TYR HD1 1 52 SER HB3 4.000 . 5.000 3.701 3.701 3.701 . 0 0 "[ ]" 1
106 1 4 TYR HD1 1 53 ASP HA 4.000 . 5.000 5.010 5.010 5.010 0.010 1 0 "[ ]" 1
107 1 4 TYR HD1 1 54 SER H 4.000 . 5.000 4.631 4.631 4.631 . 0 0 "[ ]" 1
108 1 4 TYR QE 1 55 ALA MB 4.000 . 6.100 3.853 3.853 3.853 . 0 0 "[ ]" 1
109 1 5 PRO HA 1 6 VAL H 2.500 . 2.700 2.270 2.270 2.270 . 0 0 "[ ]" 1
110 1 5 PRO HB3 1 6 VAL H 4.000 . 5.000 3.890 3.890 3.890 . 0 0 "[ ]" 1
111 1 5 PRO HB2 1 6 VAL H 3.000 . 3.300 3.283 3.283 3.283 . 0 0 "[ ]" 1
112 1 5 PRO HB2 1 13 LEU MD2 4.000 . 6.100 3.456 3.456 3.456 . 0 0 "[ ]" 1
113 1 5 PRO HB3 1 28 LYS QE 4.000 . 6.000 3.139 3.139 3.139 . 0 0 "[ ]" 1
114 1 5 PRO HB2 1 28 LYS QE 4.000 . 6.000 3.238 3.238 3.238 . 0 0 "[ ]" 1
115 1 5 PRO QG 1 28 LYS QE 4.000 . 7.000 4.212 4.212 4.212 . 0 0 "[ ]" 1
116 1 5 PRO HD3 1 41 TYR HA 4.000 . 5.000 2.918 2.918 2.918 . 0 0 "[ ]" 1
117 1 5 PRO HD2 1 41 TYR HA 4.000 . 5.000 3.160 3.160 3.160 . 0 0 "[ ]" 1
118 1 5 PRO HD3 1 42 CYS H 4.000 . 5.000 2.891 2.891 2.891 . 0 0 "[ ]" 1
119 1 5 PRO HD2 1 42 CYS H 4.000 . 5.000 4.179 4.179 4.179 . 0 0 "[ ]" 1
120 1 5 PRO HB3 1 45 LEU MD1 4.000 . 6.100 3.595 3.595 3.595 . 0 0 "[ ]" 1
121 1 5 PRO HB3 1 45 LEU MD2 4.000 . 6.100 3.745 3.745 3.745 . 0 0 "[ ]" 1
122 1 5 PRO HA 1 51 VAL MG2 4.000 . 6.100 4.541 4.541 4.541 . 0 0 "[ ]" 1
123 1 5 PRO HA 1 51 VAL MG1 3.000 . 4.400 1.909 1.909 1.909 . 0 0 "[ ]" 1
124 1 5 PRO HA 1 52 SER H 4.000 . 5.000 4.682 4.682 4.682 . 0 0 "[ ]" 1
125 1 6 VAL H 1 6 VAL HB 4.000 . 5.000 3.635 3.635 3.635 . 0 0 "[ ]" 1
126 1 6 VAL H 1 6 VAL MG2 2.500 . 3.400 1.810 1.810 1.810 . 0 0 "[ ]" 1
127 1 6 VAL H 1 6 VAL MG1 4.000 . 6.100 2.911 2.911 2.911 . 0 0 "[ ]" 1
128 1 6 VAL HA 1 6 VAL HB 2.500 . 2.700 2.565 2.565 2.565 . 0 0 "[ ]" 1
129 1 6 VAL HA 1 6 VAL MG1 2.500 . 3.400 2.265 2.265 2.265 . 0 0 "[ ]" 1
130 1 6 VAL H 1 7 ASP H 4.000 . 5.000 4.536 4.536 4.536 . 0 0 "[ ]" 1
131 1 6 VAL HA 1 7 ASP H 2.300 . 2.500 2.456 2.456 2.456 . 0 0 "[ ]" 1
132 1 6 VAL HB 1 7 ASP H 2.300 . 2.500 2.562 2.562 2.562 0.062 1 0 "[ ]" 1
133 1 6 VAL MG1 1 7 ASP H 3.000 . 4.400 3.664 3.664 3.664 . 0 0 "[ ]" 1
134 1 6 VAL MG2 1 7 ASP H 3.000 . 4.400 3.698 3.698 3.698 . 0 0 "[ ]" 1
135 1 6 VAL HA 1 10 GLY H 4.000 . 5.000 4.982 4.982 4.982 . 0 0 "[ ]" 1
136 1 6 VAL HB 1 10 GLY H 4.000 . 5.000 3.161 3.161 3.161 . 0 0 "[ ]" 1
137 1 6 VAL HB 1 10 GLY HA3 4.000 . 5.000 3.567 3.567 3.567 . 0 0 "[ ]" 1
138 1 6 VAL HB 1 10 GLY HA2 4.000 . 5.000 2.044 2.044 2.044 . 0 0 "[ ]" 1
139 1 6 VAL MG1 1 10 GLY H 4.000 . 6.100 4.577 4.577 4.577 . 0 0 "[ ]" 1
140 1 6 VAL MG2 1 10 GLY H 4.000 . 6.100 3.871 3.871 3.871 . 0 0 "[ ]" 1
141 1 6 VAL MG2 1 10 GLY HA3 4.000 . 6.100 3.760 3.760 3.760 . 0 0 "[ ]" 1
142 1 6 VAL MG2 1 10 GLY HA2 4.000 . 6.100 2.296 2.296 2.296 . 0 0 "[ ]" 1
143 1 6 VAL HA 1 11 CYS H 4.000 . 5.000 4.050 4.050 4.050 . 0 0 "[ ]" 1
144 1 6 VAL MG1 1 11 CYS H 4.000 . 6.100 3.729 3.729 3.729 . 0 0 "[ ]" 1
145 1 6 VAL MG2 1 11 CYS H 4.000 . 6.100 4.330 4.330 4.330 . 0 0 "[ ]" 1
146 1 6 VAL HA 1 12 LYS HA 3.000 . 3.300 2.680 2.680 2.680 . 0 0 "[ ]" 1
147 1 6 VAL MG1 1 12 LYS HA 3.000 . 4.400 2.395 2.395 2.395 . 0 0 "[ ]" 1
148 1 6 VAL MG1 1 12 LYS H 4.000 . 6.100 3.111 3.111 3.111 . 0 0 "[ ]" 1
149 1 6 VAL MG1 1 12 LYS QG 4.000 . 7.100 2.701 2.701 2.701 . 0 0 "[ ]" 1
150 1 6 VAL MG1 1 12 LYS QD 4.000 . 7.100 4.068 4.068 4.068 . 0 0 "[ ]" 1
151 1 6 VAL HA 1 13 LEU H 4.000 . 6.000 3.167 3.167 3.167 . 0 0 "[ ]" 1
152 1 6 VAL MG2 1 50 LYS QB 4.000 . 7.100 2.649 2.649 2.649 . 0 0 "[ ]" 1
153 1 6 VAL MG2 1 50 LYS HG3 4.000 . 6.100 2.181 2.181 2.181 . 0 0 "[ ]" 1
154 1 6 VAL MG2 1 50 LYS HG2 4.000 . 6.100 1.893 1.893 1.893 . 0 0 "[ ]" 1
155 1 6 VAL MG2 1 50 LYS QD 4.000 . 7.100 3.542 3.542 3.542 . 0 0 "[ ]" 1
156 1 6 VAL H 1 51 VAL HA 3.000 . 3.300 3.046 3.046 3.046 . 0 0 "[ ]" 1
157 1 6 VAL H 1 51 VAL MG1 3.000 . 4.400 3.460 3.460 3.460 . 0 0 "[ ]" 1
158 1 6 VAL MG2 1 51 VAL HA 3.000 . 4.400 2.293 2.293 2.293 . 0 0 "[ ]" 1
159 1 6 VAL MG1 1 51 VAL HA 3.000 . 4.400 2.522 2.522 2.522 . 0 0 "[ ]" 1
160 1 6 VAL H 1 52 SER H 4.000 . 5.000 5.067 5.067 5.067 0.067 1 0 "[ ]" 1
161 1 6 VAL MG2 1 52 SER H 4.000 . 6.100 3.973 3.973 3.973 . 0 0 "[ ]" 1
162 1 6 VAL MG1 1 52 SER H 3.000 . 4.400 2.780 2.780 2.780 . 0 0 "[ ]" 1
163 1 6 VAL MG1 1 52 SER HA 3.000 . 4.400 3.534 3.534 3.534 . 0 0 "[ ]" 1
164 1 6 VAL MG1 1 52 SER HB3 3.000 . 4.400 3.465 3.465 3.465 . 0 0 "[ ]" 1
165 1 6 VAL MG1 1 52 SER HB2 3.000 . 4.400 2.670 2.670 2.670 . 0 0 "[ ]" 1
166 1 7 ASP H 1 7 ASP HB3 3.000 . 3.300 2.733 2.733 2.733 . 0 0 "[ ]" 1
167 1 7 ASP H 1 7 ASP HB2 4.000 . 5.000 3.559 3.559 3.559 . 0 0 "[ ]" 1
168 1 7 ASP HA 1 7 ASP HB3 2.500 . 2.700 2.434 2.434 2.434 . 0 0 "[ ]" 1
169 1 7 ASP HA 1 7 ASP HB2 2.500 . 2.700 2.520 2.520 2.520 . 0 0 "[ ]" 1
170 1 7 ASP HB3 1 8 SER H 4.000 . 5.000 3.606 3.606 3.606 . 0 0 "[ ]" 1
171 1 7 ASP HB2 1 8 SER H 2.300 . 2.500 2.116 2.116 2.116 . 0 0 "[ ]" 1
172 1 7 ASP HA 1 8 SER H 3.000 . 3.300 2.681 2.681 2.681 . 0 0 "[ ]" 1
173 1 7 ASP H 1 9 LYS H 4.000 . 5.000 3.956 3.956 3.956 . 0 0 "[ ]" 1
174 1 7 ASP HA 1 9 LYS H 4.000 . 5.000 4.127 4.127 4.127 . 0 0 "[ ]" 1
175 1 7 ASP HB3 1 9 LYS H 4.000 . 5.000 4.160 4.160 4.160 . 0 0 "[ ]" 1
176 1 7 ASP HB2 1 9 LYS H 3.000 . 3.300 2.992 2.992 2.992 . 0 0 "[ ]" 1
177 1 7 ASP HA 1 10 GLY H 4.000 . 5.000 4.410 4.410 4.410 . 0 0 "[ ]" 1
178 1 7 ASP H 1 10 GLY H 4.000 . 5.000 3.049 3.049 3.049 . 0 0 "[ ]" 1
179 1 8 SER H 1 8 SER HA 3.000 . 3.300 2.839 2.839 2.839 . 0 0 "[ ]" 1
180 1 8 SER H 1 8 SER HB3 4.000 . 5.000 2.448 2.448 2.448 . 0 0 "[ ]" 1
181 1 8 SER H 1 8 SER HB2 4.000 . 5.000 3.525 3.525 3.525 . 0 0 "[ ]" 1
182 1 8 SER HA 1 8 SER HB3 2.500 . 2.700 2.454 2.454 2.454 . 0 0 "[ ]" 1
183 1 8 SER HA 1 8 SER HB2 2.500 . 2.700 2.496 2.496 2.496 . 0 0 "[ ]" 1
184 1 8 SER HA 1 9 LYS H 4.000 . 5.000 3.445 3.445 3.445 . 0 0 "[ ]" 1
185 1 8 SER H 1 9 LYS H 3.000 . 3.300 2.724 2.724 2.724 . 0 0 "[ ]" 1
186 1 8 SER HB3 1 9 LYS H 4.000 . 5.000 4.171 4.171 4.171 . 0 0 "[ ]" 1
187 1 8 SER HB2 1 9 LYS H 4.000 . 5.000 4.059 4.059 4.059 . 0 0 "[ ]" 1
188 1 8 SER H 1 10 GLY H 4.000 . 5.000 4.229 4.229 4.229 . 0 0 "[ ]" 1
189 1 8 SER HA 1 10 GLY H 4.000 . 5.000 4.162 4.162 4.162 . 0 0 "[ ]" 1
190 1 9 LYS H 1 9 LYS HA 3.000 . 3.300 2.965 2.965 2.965 . 0 0 "[ ]" 1
191 1 9 LYS H 1 9 LYS HB3 3.000 . 3.300 2.544 2.544 2.544 . 0 0 "[ ]" 1
192 1 9 LYS H 1 9 LYS HB2 3.000 . 3.300 2.506 2.506 2.506 . 0 0 "[ ]" 1
193 1 9 LYS HA 1 9 LYS HB2 3.000 . 3.300 2.556 2.556 2.556 . 0 0 "[ ]" 1
194 1 9 LYS HA 1 9 LYS HG3 4.000 . 5.000 2.212 2.212 2.212 . 0 0 "[ ]" 1
195 1 9 LYS HA 1 9 LYS HG2 4.000 . 5.000 3.468 3.468 3.468 . 0 0 "[ ]" 1
196 1 9 LYS HA 1 9 LYS QD 4.000 . 6.000 3.254 3.254 3.254 . 0 0 "[ ]" 1
197 1 9 LYS H 1 10 GLY H 3.000 . 3.300 2.255 2.255 2.255 . 0 0 "[ ]" 1
198 1 9 LYS HA 1 10 GLY H 4.000 . 5.000 3.481 3.481 3.481 . 0 0 "[ ]" 1
199 1 9 LYS HB3 1 10 GLY H 4.000 . 5.000 2.977 2.977 2.977 . 0 0 "[ ]" 1
200 1 9 LYS HB2 1 10 GLY H 4.000 . 5.000 3.955 3.955 3.955 . 0 0 "[ ]" 1
201 1 9 LYS H 1 11 CYS H 4.000 . 5.000 3.554 3.554 3.554 . 0 0 "[ ]" 1
202 1 10 GLY H 1 10 GLY HA3 3.000 . 3.300 2.976 2.976 2.976 . 0 0 "[ ]" 1
203 1 10 GLY H 1 10 GLY HA2 3.000 . 3.300 2.431 2.431 2.431 . 0 0 "[ ]" 1
204 1 10 GLY HA3 1 11 CYS H 4.000 . 5.000 3.465 3.465 3.465 . 0 0 "[ ]" 1
205 1 10 GLY HA2 1 11 CYS H 4.000 . 5.000 3.068 3.068 3.068 . 0 0 "[ ]" 1
206 1 10 GLY H 1 11 CYS H 2.300 . 2.500 2.135 2.135 2.135 . 0 0 "[ ]" 1
207 1 11 CYS H 1 11 CYS HB3 4.000 . 5.000 3.631 3.631 3.631 . 0 0 "[ ]" 1
208 1 11 CYS H 1 11 CYS HB2 3.000 . 3.300 2.501 2.501 2.501 . 0 0 "[ ]" 1
209 1 11 CYS HA 1 11 CYS HB3 3.000 . 3.300 2.429 2.429 2.429 . 0 0 "[ ]" 1
210 1 11 CYS HA 1 12 LYS H 2.300 . 2.500 2.247 2.247 2.247 . 0 0 "[ ]" 1
211 1 11 CYS HB3 1 12 LYS H 3.000 . 3.300 3.251 3.251 3.251 . 0 0 "[ ]" 1
212 1 11 CYS HB2 1 12 LYS H 4.000 . 5.000 4.050 4.050 4.050 . 0 0 "[ ]" 1
213 1 11 CYS HA 1 59 CYS H 4.000 . 5.000 4.973 4.973 4.973 . 0 0 "[ ]" 1
214 1 11 CYS CB 1 59 CYS SG 3.000 2.900 3.100 3.025 3.025 3.025 . 0 0 "[ ]" 1
215 1 11 CYS SG 1 59 CYS SG 2.000 . 2.100 2.020 2.020 2.020 . 0 0 "[ ]" 1
216 1 11 CYS SG 1 59 CYS CB 3.000 2.900 3.100 3.025 3.025 3.025 . 0 0 "[ ]" 1
217 1 12 LYS H 1 12 LYS HB3 4.000 . 5.000 3.531 3.531 3.531 . 0 0 "[ ]" 1
218 1 12 LYS H 1 12 LYS HB2 2.500 . 2.700 2.487 2.487 2.487 . 0 0 "[ ]" 1
219 1 12 LYS H 1 12 LYS QG 4.000 . 6.000 2.042 2.042 2.042 . 0 0 "[ ]" 1
220 1 12 LYS HA 1 12 LYS HB3 2.500 . 2.700 2.482 2.482 2.482 . 0 0 "[ ]" 1
221 1 12 LYS HA 1 12 LYS QD 4.000 . 6.000 3.596 3.596 3.596 . 0 0 "[ ]" 1
222 1 12 LYS HA 1 13 LEU H 2.300 . 2.500 2.261 2.261 2.261 . 0 0 "[ ]" 1
223 1 12 LYS H 1 13 LEU H 4.000 . 5.000 4.671 4.671 4.671 . 0 0 "[ ]" 1
224 1 12 LYS HB2 1 13 LEU H 4.000 . 5.000 4.089 4.089 4.089 . 0 0 "[ ]" 1
225 1 12 LYS HB3 1 13 LEU H 3.000 . 3.300 3.163 3.163 3.163 . 0 0 "[ ]" 1
226 1 12 LYS QE 1 52 SER HB3 4.000 . 6.000 4.776 4.776 4.776 . 0 0 "[ ]" 1
227 1 12 LYS QE 1 52 SER HB2 4.000 . 6.000 5.232 5.232 5.232 . 0 0 "[ ]" 1
228 1 13 LEU H 1 13 LEU HG 4.000 . 5.000 4.389 4.389 4.389 . 0 0 "[ ]" 1
229 1 13 LEU H 1 13 LEU QD 4.000 . 7.600 3.675 3.675 3.675 . 0 0 "[ ]" 1
230 1 13 LEU HA 1 13 LEU HG 4.000 . 5.000 2.899 2.899 2.899 . 0 0 "[ ]" 1
231 1 13 LEU HA 1 13 LEU MD1 4.000 . 6.100 2.008 2.008 2.008 . 0 0 "[ ]" 1
232 1 13 LEU HA 1 13 LEU MD2 4.000 . 6.100 3.828 3.828 3.828 . 0 0 "[ ]" 1
233 1 13 LEU HA 1 14 SER H 2.300 . 2.500 2.229 2.229 2.229 . 0 0 "[ ]" 1
234 1 13 LEU QB 1 14 SER H 4.000 . 6.000 3.966 3.966 3.966 . 0 0 "[ ]" 1
235 1 13 LEU H 1 14 SER H 4.000 . 5.000 4.404 4.404 4.404 . 0 0 "[ ]" 1
236 1 13 LEU QB 1 20 TYR QE 3.000 . 6.300 4.873 4.873 4.873 . 0 0 "[ ]" 1
237 1 13 LEU HG 1 20 TYR QE 3.000 . 5.300 3.219 3.219 3.219 . 0 0 "[ ]" 1
238 1 13 LEU MD1 1 20 TYR QE 4.000 . 8.100 3.910 3.910 3.910 . 0 0 "[ ]" 1
239 1 13 LEU MD2 1 20 TYR QE 3.000 . 4.200 3.124 3.124 3.124 . 0 0 "[ ]" 1
240 1 13 LEU MD1 1 28 LYS QE 4.000 . 7.100 5.953 5.953 5.953 . 0 0 "[ ]" 1
241 1 13 LEU MD2 1 28 LYS QE 4.000 . 7.100 4.639 4.639 4.639 . 0 0 "[ ]" 1
242 1 13 LEU H 1 39 SER HB3 4.000 . 5.000 4.601 4.601 4.601 . 0 0 "[ ]" 1
243 1 13 LEU HA 1 40 CYS H 4.000 . 5.000 4.926 4.926 4.926 . 0 0 "[ ]" 1
244 1 13 LEU H 1 40 CYS H 4.000 . 5.000 3.942 3.942 3.942 . 0 0 "[ ]" 1
245 1 13 LEU HB3 1 40 CYS H 4.000 . 5.000 3.419 3.419 3.419 . 0 0 "[ ]" 1
246 1 13 LEU QD 1 40 CYS H 4.000 . 7.600 4.321 4.321 4.321 . 0 0 "[ ]" 1
247 1 14 SER H 1 14 SER HB3 4.000 . 5.000 3.521 3.521 3.521 . 0 0 "[ ]" 1
248 1 14 SER H 1 14 SER HB2 3.000 . 3.300 2.555 2.555 2.555 . 0 0 "[ ]" 1
249 1 14 SER HA 1 14 SER HB3 3.000 . 3.300 2.434 2.434 2.434 . 0 0 "[ ]" 1
250 1 14 SER H 1 15 CYS H 4.000 . 5.000 4.661 4.661 4.661 . 0 0 "[ ]" 1
251 1 14 SER HB3 1 15 CYS H 4.000 . 5.000 3.220 3.220 3.220 . 0 0 "[ ]" 1
252 1 14 SER HB2 1 15 CYS H 4.000 . 5.000 4.042 4.042 4.042 . 0 0 "[ ]" 1
253 1 14 SER HA 1 15 CYS H 2.300 . 2.500 2.252 2.252 2.252 . 0 0 "[ ]" 1
254 1 14 SER HA 1 39 SER HA 3.000 . 3.300 2.324 2.324 2.324 . 0 0 "[ ]" 1
255 1 14 SER HA 1 40 CYS H 4.000 . 5.000 3.570 3.570 3.570 . 0 0 "[ ]" 1
256 1 15 CYS H 1 15 CYS HB3 3.000 . 3.300 2.970 2.970 2.970 . 0 0 "[ ]" 1
257 1 15 CYS H 1 15 CYS HB2 4.000 . 5.000 3.744 3.744 3.744 . 0 0 "[ ]" 1
258 1 15 CYS HA 1 15 CYS HB3 3.000 . 3.300 2.494 2.494 2.494 . 0 0 "[ ]" 1
259 1 15 CYS HA 1 15 CYS HB2 3.000 . 3.300 2.457 2.457 2.457 . 0 0 "[ ]" 1
260 1 15 CYS H 1 16 VAL H 4.000 . 5.000 4.467 4.467 4.467 . 0 0 "[ ]" 1
261 1 15 CYS HA 1 16 VAL H 2.500 . 2.700 2.264 2.264 2.264 . 0 0 "[ ]" 1
262 1 15 CYS HB3 1 16 VAL H 4.000 . 5.000 4.223 4.223 4.223 . 0 0 "[ ]" 1
263 1 15 CYS HB2 1 16 VAL H 3.000 . 3.300 3.158 3.158 3.158 . 0 0 "[ ]" 1
264 1 15 CYS HA 1 17 ALA H 4.000 . 5.000 3.752 3.752 3.752 . 0 0 "[ ]" 1
265 1 15 CYS HB2 1 17 ALA H 4.000 . 5.000 3.332 3.332 3.332 . 0 0 "[ ]" 1
266 1 15 CYS HA 1 20 TYR QD 3.000 . 5.300 2.507 2.507 2.507 . 0 0 "[ ]" 1
267 1 15 CYS HA 1 20 TYR QE 4.000 . 7.000 2.681 2.681 2.681 . 0 0 "[ ]" 1
268 1 15 CYS QB 1 20 TYR QD 3.000 . 6.500 3.091 3.091 3.091 . 0 0 "[ ]" 1
269 1 15 CYS QB 1 20 TYR QE 4.000 . 8.000 3.764 3.764 3.764 . 0 0 "[ ]" 1
270 1 15 CYS CB 1 35 CYS SG 3.000 2.900 3.100 3.025 3.025 3.025 . 0 0 "[ ]" 1
271 1 15 CYS SG 1 35 CYS SG 2.000 . 2.100 2.020 2.020 2.020 . 0 0 "[ ]" 1
272 1 15 CYS SG 1 35 CYS CB 3.000 2.900 3.100 3.025 3.025 3.025 . 0 0 "[ ]" 1
273 1 15 CYS H 1 39 SER HA 3.000 . 3.300 2.786 2.786 2.786 . 0 0 "[ ]" 1
274 1 15 CYS H 1 40 CYS H 4.000 . 5.000 3.687 3.687 3.687 . 0 0 "[ ]" 1
275 1 16 VAL H 1 16 VAL HB 4.000 . 5.000 2.828 2.828 2.828 . 0 0 "[ ]" 1
276 1 16 VAL H 1 16 VAL MG1 2.500 . 3.400 1.909 1.909 1.909 . 0 0 "[ ]" 1
277 1 16 VAL H 1 16 VAL MG2 4.000 . 6.100 3.836 3.836 3.836 . 0 0 "[ ]" 1
278 1 16 VAL HA 1 16 VAL MG2 2.500 . 3.400 2.217 2.217 2.217 . 0 0 "[ ]" 1
279 1 16 VAL HA 1 16 VAL HB 2.500 . 2.700 2.529 2.529 2.529 . 0 0 "[ ]" 1
280 1 16 VAL H 1 17 ALA H 2.300 . 2.500 1.938 1.938 1.938 . 0 0 "[ ]" 1
281 1 16 VAL HA 1 17 ALA H 4.000 . 5.000 3.430 3.430 3.430 . 0 0 "[ ]" 1
282 1 16 VAL HB 1 17 ALA H 4.000 . 5.000 4.089 4.089 4.089 . 0 0 "[ ]" 1
283 1 16 VAL MG1 1 17 ALA H 3.000 . 4.400 2.276 2.276 2.276 . 0 0 "[ ]" 1
284 1 16 VAL MG2 1 17 ALA H 4.000 . 6.000 4.026 4.026 4.026 . 0 0 "[ ]" 1
285 1 16 VAL H 1 20 TYR QD 4.000 . 7.000 2.472 2.472 2.472 . 0 0 "[ ]" 1
286 1 16 VAL H 1 20 TYR QE 4.000 . 7.000 3.997 3.997 3.997 . 0 0 "[ ]" 1
287 1 17 ALA H 1 17 ALA MB 2.500 . 3.400 2.583 2.583 2.583 . 0 0 "[ ]" 1
288 1 17 ALA H 1 18 ASN H 4.000 . 5.000 4.427 4.427 4.427 . 0 0 "[ ]" 1
289 1 17 ALA HA 1 18 ASN H 2.300 . 2.500 2.336 2.336 2.336 . 0 0 "[ ]" 1
290 1 17 ALA MB 1 18 ASN H 3.000 . 4.400 2.811 2.811 2.811 . 0 0 "[ ]" 1
291 1 17 ALA HA 1 19 ASN H 4.000 . 5.000 4.436 4.436 4.436 . 0 0 "[ ]" 1
292 1 17 ALA MB 1 19 ASN H 3.000 . 4.400 3.191 3.191 3.191 . 0 0 "[ ]" 1
293 1 17 ALA MB 1 20 TYR H 3.000 . 4.400 2.505 2.505 2.505 . 0 0 "[ ]" 1
294 1 17 ALA MB 1 20 TYR QD 4.000 . 8.100 4.024 4.024 4.024 . 0 0 "[ ]" 1
295 1 17 ALA MB 1 20 TYR QE 4.000 . 8.100 5.840 5.840 5.840 . 0 0 "[ ]" 1
296 1 17 ALA H 1 20 TYR HB3 4.000 . 5.000 3.069 3.069 3.069 . 0 0 "[ ]" 1
297 1 17 ALA MB 1 20 TYR HB3 4.000 . 6.100 2.854 2.854 2.854 . 0 0 "[ ]" 1
298 1 17 ALA MB 1 20 TYR HB2 4.000 . 6.100 2.746 2.746 2.746 . 0 0 "[ ]" 1
299 1 18 ASN H 1 18 ASN HA 3.000 . 3.300 2.890 2.890 2.890 . 0 0 "[ ]" 1
300 1 18 ASN H 1 18 ASN HB2 3.000 . 3.300 2.121 2.121 2.121 . 0 0 "[ ]" 1
301 1 18 ASN H 1 18 ASN HB3 4.000 . 5.000 3.467 3.467 3.467 . 0 0 "[ ]" 1
302 1 18 ASN HA 1 18 ASN HB3 3.000 . 3.300 2.635 2.635 2.635 . 0 0 "[ ]" 1
303 1 18 ASN HB3 1 18 ASN HD21 3.000 . 3.300 2.989 2.989 2.989 . 0 0 "[ ]" 1
304 1 18 ASN HB3 1 18 ASN HD22 4.000 . 5.000 3.818 3.818 3.818 . 0 0 "[ ]" 1
305 1 18 ASN HB2 1 18 ASN HD21 2.500 . 2.700 2.380 2.380 2.380 . 0 0 "[ ]" 1
306 1 18 ASN HB2 1 18 ASN HD22 4.000 . 5.000 3.563 3.563 3.563 . 0 0 "[ ]" 1
307 1 18 ASN H 1 19 ASN H 3.000 . 3.300 2.666 2.666 2.666 . 0 0 "[ ]" 1
308 1 18 ASN HA 1 19 ASN H 4.000 . 5.000 3.580 3.580 3.580 . 0 0 "[ ]" 1
309 1 18 ASN HB3 1 19 ASN H 4.000 . 5.000 3.219 3.219 3.219 . 0 0 "[ ]" 1
310 1 18 ASN H 1 20 TYR H 4.000 . 5.000 4.253 4.253 4.253 . 0 0 "[ ]" 1
311 1 18 ASN HA 1 21 CYS H 4.000 . 5.000 3.600 3.600 3.600 . 0 0 "[ ]" 1
312 1 18 ASN HA 1 21 CYS HB3 4.000 . 5.000 4.569 4.569 4.569 . 0 0 "[ ]" 1
313 1 18 ASN HA 1 21 CYS HB2 4.000 . 5.000 2.999 2.999 2.999 . 0 0 "[ ]" 1
314 1 18 ASN HB3 1 34 HIS HA 4.000 . 5.000 3.709 3.709 3.709 . 0 0 "[ ]" 1
315 1 18 ASN HA 1 34 HIS HA 4.000 . 5.000 2.808 2.808 2.808 . 0 0 "[ ]" 1
316 1 18 ASN HA 1 35 CYS H 2.500 . 2.700 2.250 2.250 2.250 . 0 0 "[ ]" 1
317 1 18 ASN H 1 35 CYS H 5.000 2.800 6.000 4.596 4.596 4.596 . 0 0 "[ ]" 1
318 1 18 ASN HB3 1 35 CYS H 4.000 . 5.000 4.029 4.029 4.029 . 0 0 "[ ]" 1
319 1 18 ASN HA 1 35 CYS HB3 4.000 . 5.000 3.089 3.089 3.089 . 0 0 "[ ]" 1
320 1 18 ASN HA 1 35 CYS HB2 4.000 . 5.000 2.991 2.991 2.991 . 0 0 "[ ]" 1
321 1 19 ASN H 1 19 ASN HA 3.000 . 3.300 2.800 2.800 2.800 . 0 0 "[ ]" 1
322 1 19 ASN H 1 19 ASN HB3 3.000 . 3.300 2.423 2.423 2.423 . 0 0 "[ ]" 1
323 1 19 ASN H 1 19 ASN HB2 4.000 . 5.000 3.534 3.534 3.534 . 0 0 "[ ]" 1
324 1 19 ASN HA 1 19 ASN HB3 2.500 . 2.700 2.452 2.452 2.452 . 0 0 "[ ]" 1
325 1 19 ASN HA 1 19 ASN HB2 2.500 . 2.700 2.499 2.499 2.499 . 0 0 "[ ]" 1
326 1 19 ASN HB3 1 19 ASN HD21 3.000 . 3.300 2.902 2.902 2.902 . 0 0 "[ ]" 1
327 1 19 ASN HB3 1 19 ASN HD22 4.000 . 5.000 3.779 3.779 3.779 . 0 0 "[ ]" 1
328 1 19 ASN HB2 1 19 ASN HD21 3.000 . 3.300 2.442 2.442 2.442 . 0 0 "[ ]" 1
329 1 19 ASN HB2 1 19 ASN HD22 4.000 . 5.000 3.588 3.588 3.588 . 0 0 "[ ]" 1
330 1 19 ASN HB3 1 20 TYR H 4.000 . 5.000 3.823 3.823 3.823 . 0 0 "[ ]" 1
331 1 19 ASN HB2 1 20 TYR H 4.000 . 5.000 3.528 3.528 3.528 . 0 0 "[ ]" 1
332 1 19 ASN H 1 20 TYR H 3.000 . 3.300 2.899 2.899 2.899 . 0 0 "[ ]" 1
333 1 19 ASN HA 1 20 TYR H 4.000 . 5.000 3.577 3.577 3.577 . 0 0 "[ ]" 1
334 1 19 ASN H 1 21 CYS H 4.000 . 5.000 4.652 4.652 4.652 . 0 0 "[ ]" 1
335 1 19 ASN HA 1 22 ASP H 4.000 . 5.000 3.493 3.493 3.493 . 0 0 "[ ]" 1
336 1 19 ASN HA 1 22 ASP HB3 3.000 . 3.300 2.571 2.571 2.571 . 0 0 "[ ]" 1
337 1 19 ASN HA 1 22 ASP HB2 3.000 . 3.300 2.727 2.727 2.727 . 0 0 "[ ]" 1
338 1 19 ASN HA 1 23 ASN H 4.000 . 5.000 4.072 4.072 4.072 . 0 0 "[ ]" 1
339 1 20 TYR H 1 20 TYR HB3 2.500 . 2.700 2.364 2.364 2.364 . 0 0 "[ ]" 1
340 1 20 TYR H 1 20 TYR HB2 3.000 . 3.300 2.517 2.517 2.517 . 0 0 "[ ]" 1
341 1 20 TYR HA 1 20 TYR HB2 3.000 . 3.300 2.415 2.415 2.415 . 0 0 "[ ]" 1
342 1 20 TYR HB2 1 20 TYR QD 3.000 . 5.500 2.786 2.786 2.786 . 0 0 "[ ]" 1
343 1 20 TYR HB3 1 20 TYR QD 3.000 . 5.300 2.410 2.410 2.410 . 0 0 "[ ]" 1
344 1 20 TYR HA 1 20 TYR QD 3.000 . 5.300 1.980 1.980 1.980 . 0 0 "[ ]" 1
345 1 20 TYR HA 1 20 TYR QE 4.000 . 7.000 4.361 4.361 4.361 . 0 0 "[ ]" 1
346 1 20 TYR QD 1 21 CYS HB3 4.000 . 7.000 5.890 5.890 5.890 . 0 0 "[ ]" 1
347 1 20 TYR QD 1 21 CYS HB2 4.000 . 7.000 5.100 5.100 5.100 . 0 0 "[ ]" 1
348 1 20 TYR HB3 1 21 CYS H 4.000 . 5.000 2.274 2.274 2.274 . 0 0 "[ ]" 1
349 1 20 TYR HB2 1 21 CYS H 4.000 . 5.000 3.749 3.749 3.749 . 0 0 "[ ]" 1
350 1 20 TYR H 1 21 CYS H 3.000 . 3.300 2.972 2.972 2.972 . 0 0 "[ ]" 1
351 1 20 TYR HA 1 21 CYS H 4.000 . 5.000 3.591 3.591 3.591 . 0 0 "[ ]" 1
352 1 20 TYR H 1 22 ASP H 4.000 . 5.000 4.177 4.177 4.177 . 0 0 "[ ]" 1
353 1 20 TYR HA 1 23 ASN H 4.000 . 5.000 4.089 4.089 4.089 . 0 0 "[ ]" 1
354 1 20 TYR HA 1 24 GLN H 4.000 . 5.000 4.336 4.336 4.336 . 0 0 "[ ]" 1
355 1 21 CYS H 1 21 CYS HB3 4.000 . 5.000 3.469 3.469 3.469 . 0 0 "[ ]" 1
356 1 21 CYS H 1 21 CYS HB2 4.000 . 5.000 2.129 2.129 2.129 . 0 0 "[ ]" 1
357 1 21 CYS HA 1 21 CYS HB3 2.500 . 2.700 2.641 2.641 2.641 . 0 0 "[ ]" 1
358 1 21 CYS H 1 22 ASP H 3.000 . 3.300 2.703 2.703 2.703 . 0 0 "[ ]" 1
359 1 21 CYS HA 1 22 ASP H 4.000 . 5.000 3.570 3.570 3.570 . 0 0 "[ ]" 1
360 1 21 CYS HB3 1 22 ASP H 4.000 . 5.000 3.315 3.315 3.315 . 0 0 "[ ]" 1
361 1 21 CYS HB2 1 22 ASP H 4.000 . 5.000 2.658 2.658 2.658 . 0 0 "[ ]" 1
362 1 21 CYS HA 1 24 GLN H 4.000 . 5.000 3.674 3.674 3.674 . 0 0 "[ ]" 1
363 1 21 CYS HA 1 24 GLN QB 4.000 . 6.000 2.430 2.430 2.430 . 0 0 "[ ]" 1
364 1 21 CYS HA 1 25 CYS H 4.000 . 5.000 3.349 3.349 3.349 . 0 0 "[ ]" 1
365 1 21 CYS HB3 1 34 HIS H 4.000 . 5.000 2.677 2.677 2.677 . 0 0 "[ ]" 1
366 1 21 CYS HB2 1 34 HIS H 4.000 . 5.000 3.828 3.828 3.828 . 0 0 "[ ]" 1
367 1 21 CYS HB3 1 34 HIS HA 4.000 . 5.000 2.939 2.939 2.939 . 0 0 "[ ]" 1
368 1 21 CYS HB2 1 34 HIS HA 4.000 . 5.000 2.468 2.468 2.468 . 0 0 "[ ]" 1
369 1 21 CYS HB3 1 35 CYS H 4.000 . 5.000 4.360 4.360 4.360 . 0 0 "[ ]" 1
370 1 21 CYS HA 1 40 CYS HB2 4.000 . 5.000 4.682 4.682 4.682 . 0 0 "[ ]" 1
371 1 21 CYS CB 1 40 CYS SG 3.000 2.900 3.100 3.025 3.025 3.025 . 0 0 "[ ]" 1
372 1 21 CYS SG 1 40 CYS SG 2.000 . 2.100 2.020 2.020 2.020 . 0 0 "[ ]" 1
373 1 21 CYS SG 1 40 CYS CB 3.000 2.900 3.100 3.025 3.025 3.025 . 0 0 "[ ]" 1
374 1 22 ASP H 1 22 ASP HA 3.000 . 3.300 2.785 2.785 2.785 . 0 0 "[ ]" 1
375 1 22 ASP H 1 22 ASP HB3 3.000 . 3.300 2.668 2.668 2.668 . 0 0 "[ ]" 1
376 1 22 ASP H 1 22 ASP HB2 3.000 . 3.300 2.248 2.248 2.248 . 0 0 "[ ]" 1
377 1 22 ASP HA 1 22 ASP HB2 3.000 . 3.300 2.537 2.537 2.537 . 0 0 "[ ]" 1
378 1 22 ASP H 1 23 ASN H 3.000 . 3.300 3.056 3.056 3.056 . 0 0 "[ ]" 1
379 1 22 ASP HA 1 23 ASN H 4.000 . 5.000 3.592 3.592 3.592 . 0 0 "[ ]" 1
380 1 22 ASP HB3 1 23 ASN H 2.500 . 2.700 2.143 2.143 2.143 . 0 0 "[ ]" 1
381 1 22 ASP HB2 1 23 ASN H 4.000 . 5.000 3.564 3.564 3.564 . 0 0 "[ ]" 1
382 1 22 ASP H 1 34 HIS HA 4.000 . 5.000 3.548 3.548 3.548 . 0 0 "[ ]" 1
383 1 23 ASN H 1 23 ASN HA 3.000 . 3.300 2.858 2.858 2.858 . 0 0 "[ ]" 1
384 1 23 ASN H 1 23 ASN HB3 3.000 . 3.300 2.629 2.629 2.629 . 0 0 "[ ]" 1
385 1 23 ASN H 1 23 ASN HB2 3.000 . 3.300 2.250 2.250 2.250 . 0 0 "[ ]" 1
386 1 23 ASN HA 1 23 ASN HB3 3.000 . 3.300 3.027 3.027 3.027 . 0 0 "[ ]" 1
387 1 23 ASN HA 1 23 ASN HB2 3.000 . 3.300 2.565 2.565 2.565 . 0 0 "[ ]" 1
388 1 23 ASN H 1 24 GLN H 3.000 . 3.300 2.891 2.891 2.891 . 0 0 "[ ]" 1
389 1 23 ASN HA 1 24 GLN H 4.000 . 5.000 3.592 3.592 3.592 . 0 0 "[ ]" 1
390 1 23 ASN HB3 1 24 GLN H 3.000 . 3.300 2.099 2.099 2.099 . 0 0 "[ ]" 1
391 1 23 ASN HB2 1 24 GLN H 4.000 . 5.000 3.501 3.501 3.501 . 0 0 "[ ]" 1
392 1 23 ASN HA 1 26 LYS H 4.000 . 5.000 3.770 3.770 3.770 . 0 0 "[ ]" 1
393 1 23 ASN HA 1 26 LYS HB3 3.000 . 3.300 2.709 2.709 2.709 . 0 0 "[ ]" 1
394 1 23 ASN HA 1 26 LYS HB2 3.000 . 3.300 3.309 3.309 3.309 0.009 1 0 "[ ]" 1
395 1 23 ASN HA 1 27 MET H 4.000 . 5.000 4.196 4.196 4.196 . 0 0 "[ ]" 1
396 1 24 GLN H 1 24 GLN HA 3.000 . 3.300 2.777 2.777 2.777 . 0 0 "[ ]" 1
397 1 24 GLN H 1 24 GLN HB3 3.000 . 3.300 2.704 2.704 2.704 . 0 0 "[ ]" 1
398 1 24 GLN H 1 24 GLN HB2 3.000 . 3.300 2.224 2.224 2.224 . 0 0 "[ ]" 1
399 1 24 GLN H 1 24 GLN HG3 4.000 . 5.000 4.451 4.451 4.451 . 0 0 "[ ]" 1
400 1 24 GLN H 1 24 GLN HG2 4.000 . 5.000 4.569 4.569 4.569 . 0 0 "[ ]" 1
401 1 24 GLN HA 1 24 GLN HB2 3.000 . 3.300 2.548 2.548 2.548 . 0 0 "[ ]" 1
402 1 24 GLN HA 1 24 GLN HG3 4.000 . 5.000 2.737 2.737 2.737 . 0 0 "[ ]" 1
403 1 24 GLN HA 1 24 GLN HG2 4.000 . 5.000 3.689 3.689 3.689 . 0 0 "[ ]" 1
404 1 24 GLN HE21 1 24 GLN QG 3.000 . 3.300 2.226 2.226 2.226 . 0 0 "[ ]" 1
405 1 24 GLN H 1 25 CYS H 3.000 . 3.300 3.169 3.169 3.169 . 0 0 "[ ]" 1
406 1 24 GLN HA 1 25 CYS H 4.000 . 5.000 3.589 3.589 3.589 . 0 0 "[ ]" 1
407 1 24 GLN QB 1 25 CYS H 3.000 . 4.300 1.969 1.969 1.969 . 0 0 "[ ]" 1
408 1 24 GLN HA 1 27 MET H 4.000 . 5.000 3.755 3.755 3.755 . 0 0 "[ ]" 1
409 1 24 GLN HA 1 27 MET HB3 4.000 . 5.000 4.583 4.583 4.583 . 0 0 "[ ]" 1
410 1 24 GLN HA 1 27 MET HB2 4.000 . 5.000 3.052 3.052 3.052 . 0 0 "[ ]" 1
411 1 24 GLN HA 1 27 MET QG 4.000 . 6.000 3.239 3.239 3.239 . 0 0 "[ ]" 1
412 1 24 GLN HA 1 27 MET ME 3.000 . 4.400 2.513 2.513 2.513 . 0 0 "[ ]" 1
413 1 24 GLN HE21 1 27 MET ME 4.000 . 6.100 2.689 2.689 2.689 . 0 0 "[ ]" 1
414 1 24 GLN HE22 1 27 MET ME 3.000 . 4.400 2.610 2.610 2.610 . 0 0 "[ ]" 1
415 1 25 CYS H 1 25 CYS HA 3.000 . 3.300 2.783 2.783 2.783 . 0 0 "[ ]" 1
416 1 25 CYS H 1 25 CYS HB3 4.000 . 5.000 3.539 3.539 3.539 . 0 0 "[ ]" 1
417 1 25 CYS H 1 25 CYS HB2 3.000 . 3.300 2.461 2.461 2.461 . 0 0 "[ ]" 1
418 1 25 CYS HA 1 25 CYS HB3 3.000 . 3.300 2.511 2.511 2.511 . 0 0 "[ ]" 1
419 1 25 CYS HB3 1 26 LYS H 3.000 . 3.300 3.330 3.330 3.330 0.030 1 0 "[ ]" 1
420 1 25 CYS HB2 1 26 LYS H 3.000 . 3.300 2.285 2.285 2.285 . 0 0 "[ ]" 1
421 1 25 CYS HA 1 26 LYS H 4.000 . 5.000 3.589 3.589 3.589 . 0 0 "[ ]" 1
422 1 25 CYS H 1 26 LYS H 3.000 . 3.300 3.017 3.017 3.017 . 0 0 "[ ]" 1
423 1 25 CYS H 1 27 MET H 4.000 . 5.000 4.562 4.562 4.562 . 0 0 "[ ]" 1
424 1 25 CYS HA 1 27 MET H 4.000 . 5.000 4.620 4.620 4.620 . 0 0 "[ ]" 1
425 1 25 CYS HA 1 28 LYS H 4.000 . 5.000 3.362 3.362 3.362 . 0 0 "[ ]" 1
426 1 25 CYS HA 1 28 LYS HB3 4.000 . 5.000 4.085 4.085 4.085 . 0 0 "[ ]" 1
427 1 25 CYS HA 1 28 LYS HB2 3.000 . 3.300 2.502 2.502 2.502 . 0 0 "[ ]" 1
428 1 25 CYS HA 1 30 ALA MB 4.000 . 6.100 2.678 2.678 2.678 . 0 0 "[ ]" 1
429 1 25 CYS HB3 1 30 ALA H 4.000 . 5.000 4.219 4.219 4.219 . 0 0 "[ ]" 1
430 1 25 CYS HB3 1 30 ALA MB 2.500 . 3.400 1.926 1.926 1.926 . 0 0 "[ ]" 1
431 1 25 CYS HB2 1 30 ALA MB 3.000 . 4.400 3.194 3.194 3.194 . 0 0 "[ ]" 1
432 1 25 CYS HB3 1 31 SER H 4.000 . 5.000 4.692 4.692 4.692 . 0 0 "[ ]" 1
433 1 25 CYS HB3 1 32 GLY H 4.000 . 5.000 4.733 4.733 4.733 . 0 0 "[ ]" 1
434 1 25 CYS CB 1 42 CYS SG 3.000 2.900 3.100 3.024 3.024 3.024 . 0 0 "[ ]" 1
435 1 25 CYS SG 1 42 CYS SG 2.000 . 2.100 2.020 2.020 2.020 . 0 0 "[ ]" 1
436 1 25 CYS SG 1 42 CYS CB 3.000 2.900 3.100 3.025 3.025 3.025 . 0 0 "[ ]" 1
437 1 26 LYS H 1 26 LYS HA 3.000 . 3.300 2.778 2.778 2.778 . 0 0 "[ ]" 1
438 1 26 LYS H 1 26 LYS HB3 3.000 . 3.300 2.537 2.537 2.537 . 0 0 "[ ]" 1
439 1 26 LYS H 1 26 LYS HB2 2.500 . 2.700 2.371 2.371 2.371 . 0 0 "[ ]" 1
440 1 26 LYS HA 1 26 LYS HB3 3.000 . 3.300 3.036 3.036 3.036 . 0 0 "[ ]" 1
441 1 26 LYS HA 1 26 LYS HB2 3.000 . 3.300 2.471 2.471 2.471 . 0 0 "[ ]" 1
442 1 26 LYS HA 1 26 LYS HG3 4.000 . 5.000 2.352 2.352 2.352 . 0 0 "[ ]" 1
443 1 26 LYS HA 1 26 LYS HG2 4.000 . 5.000 3.536 3.536 3.536 . 0 0 "[ ]" 1
444 1 26 LYS H 1 27 MET H 3.000 . 3.300 3.024 3.024 3.024 . 0 0 "[ ]" 1
445 1 26 LYS HB3 1 27 MET H 3.000 . 3.300 2.267 2.267 2.267 . 0 0 "[ ]" 1
446 1 26 LYS HB2 1 27 MET H 4.000 . 5.000 3.708 3.708 3.708 . 0 0 "[ ]" 1
447 1 26 LYS H 1 28 LYS H 4.000 . 5.000 4.100 4.100 4.100 . 0 0 "[ ]" 1
448 1 26 LYS HA 1 29 LYS H 4.000 . 5.000 3.950 3.950 3.950 . 0 0 "[ ]" 1
449 1 26 LYS HA 1 30 ALA H 3.000 . 3.300 2.747 2.747 2.747 . 0 0 "[ ]" 1
450 1 26 LYS HA 1 30 ALA MB 4.000 . 6.100 3.399 3.399 3.399 . 0 0 "[ ]" 1
451 1 27 MET H 1 27 MET HA 3.000 . 3.300 2.831 2.831 2.831 . 0 0 "[ ]" 1
452 1 27 MET H 1 27 MET HB3 4.000 . 5.000 3.523 3.523 3.523 . 0 0 "[ ]" 1
453 1 27 MET H 1 27 MET HB2 3.000 . 3.300 2.344 2.344 2.344 . 0 0 "[ ]" 1
454 1 27 MET H 1 27 MET HG3 4.000 . 5.000 2.343 2.343 2.343 . 0 0 "[ ]" 1
455 1 27 MET H 1 27 MET HG2 4.000 . 5.000 2.878 2.878 2.878 . 0 0 "[ ]" 1
456 1 27 MET HA 1 27 MET HB3 3.000 . 3.300 2.537 2.537 2.537 . 0 0 "[ ]" 1
457 1 27 MET HA 1 27 MET HG3 4.000 . 5.000 3.355 3.355 3.355 . 0 0 "[ ]" 1
458 1 27 MET HA 1 27 MET HG2 4.000 . 5.000 2.226 2.226 2.226 . 0 0 "[ ]" 1
459 1 27 MET HB2 1 28 LYS H 4.000 . 5.000 2.801 2.801 2.801 . 0 0 "[ ]" 1
460 1 27 MET HA 1 28 LYS H 4.000 . 5.000 3.525 3.525 3.525 . 0 0 "[ ]" 1
461 1 27 MET H 1 28 LYS H 3.000 . 3.300 2.739 2.739 2.739 . 0 0 "[ ]" 1
462 1 27 MET H 1 29 LYS H 4.000 . 5.000 4.293 4.293 4.293 . 0 0 "[ ]" 1
463 1 28 LYS H 1 28 LYS HB3 4.000 . 5.000 3.541 3.541 3.541 . 0 0 "[ ]" 1
464 1 28 LYS H 1 28 LYS HB2 2.500 . 2.700 2.256 2.256 2.256 . 0 0 "[ ]" 1
465 1 28 LYS HA 1 28 LYS HB3 2.500 . 2.700 2.545 2.545 2.545 . 0 0 "[ ]" 1
466 1 28 LYS HA 1 28 LYS QG 3.000 . 4.300 2.235 2.235 2.235 . 0 0 "[ ]" 1
467 1 28 LYS HA 1 29 LYS H 4.000 . 5.000 3.127 3.127 3.127 . 0 0 "[ ]" 1
468 1 28 LYS H 1 29 LYS H 3.000 . 3.300 2.771 2.771 2.771 . 0 0 "[ ]" 1
469 1 28 LYS H 1 30 ALA H 4.000 . 5.000 3.552 3.552 3.552 . 0 0 "[ ]" 1
470 1 29 LYS H 1 29 LYS HA 2.300 . 2.500 2.368 2.368 2.368 . 0 0 "[ ]" 1
471 1 29 LYS H 1 29 LYS HB3 4.000 . 5.000 3.775 3.775 3.775 . 0 0 "[ ]" 1
472 1 29 LYS H 1 29 LYS HB2 3.000 . 3.300 3.036 3.036 3.036 . 0 0 "[ ]" 1
473 1 29 LYS H 1 29 LYS HG3 4.000 . 5.000 4.235 4.235 4.235 . 0 0 "[ ]" 1
474 1 29 LYS H 1 29 LYS HG2 4.000 . 5.000 4.771 4.771 4.771 . 0 0 "[ ]" 1
475 1 29 LYS HA 1 29 LYS HB2 3.000 . 3.300 2.649 2.649 2.649 . 0 0 "[ ]" 1
476 1 29 LYS HA 1 29 LYS HG3 4.000 . 5.000 2.370 2.370 2.370 . 0 0 "[ ]" 1
477 1 29 LYS HA 1 29 LYS HG2 4.000 . 5.000 2.721 2.721 2.721 . 0 0 "[ ]" 1
478 1 29 LYS HB3 1 30 ALA H 4.000 . 5.000 4.139 4.139 4.139 . 0 0 "[ ]" 1
479 1 29 LYS HA 1 30 ALA H 3.000 . 3.300 2.911 2.911 2.911 . 0 0 "[ ]" 1
480 1 29 LYS H 1 30 ALA H 3.000 . 3.300 2.669 2.669 2.669 . 0 0 "[ ]" 1
481 1 30 ALA H 1 30 ALA MB 2.500 . 3.700 2.162 2.162 2.162 . 0 0 "[ ]" 1
482 1 30 ALA H 1 31 SER H 4.000 . 5.000 4.573 4.573 4.573 . 0 0 "[ ]" 1
483 1 30 ALA HA 1 31 SER H 2.500 . 2.700 2.398 2.398 2.398 . 0 0 "[ ]" 1
484 1 30 ALA MB 1 31 SER H 2.500 . 3.400 2.634 2.634 2.634 . 0 0 "[ ]" 1
485 1 30 ALA HA 1 32 GLY H 4.000 . 5.000 4.231 4.231 4.231 . 0 0 "[ ]" 1
486 1 30 ALA MB 1 32 GLY H 3.000 . 4.400 3.238 3.238 3.238 . 0 0 "[ ]" 1
487 1 30 ALA MB 1 42 CYS HA 4.000 . 6.100 3.219 3.219 3.219 . 0 0 "[ ]" 1
488 1 30 ALA MB 1 42 CYS HB3 2.500 . 3.400 1.805 1.805 1.805 . 0 0 "[ ]" 1
489 1 30 ALA MB 1 42 CYS HB2 2.500 . 3.400 2.811 2.811 2.811 . 0 0 "[ ]" 1
490 1 30 ALA MB 1 43 GLU H 4.000 . 6.100 2.761 2.761 2.761 . 0 0 "[ ]" 1
491 1 30 ALA MB 1 44 GLY H 4.000 . 6.100 4.222 4.222 4.222 . 0 0 "[ ]" 1
492 1 30 ALA H 1 45 LEU HA 4.000 . 5.000 4.697 4.697 4.697 . 0 0 "[ ]" 1
493 1 30 ALA HA 1 45 LEU HA 4.000 . 5.000 3.381 3.381 3.381 . 0 0 "[ ]" 1
494 1 30 ALA H 1 45 LEU QD 4.000 . 7.600 3.801 3.801 3.801 . 0 0 "[ ]" 1
495 1 30 ALA MB 1 45 LEU MD1 4.000 . 7.200 3.505 3.505 3.505 . 0 0 "[ ]" 1
496 1 30 ALA MB 1 45 LEU MD2 4.000 . 7.200 2.008 2.008 2.008 . 0 0 "[ ]" 1
497 1 30 ALA HA 1 46 PRO QD 4.000 . 6.000 4.804 4.804 4.804 . 0 0 "[ ]" 1
498 1 31 SER H 1 31 SER HA 3.000 . 3.300 3.000 3.000 3.000 . 0 0 "[ ]" 1
499 1 31 SER H 1 32 GLY H 2.500 . 2.700 2.019 2.019 2.019 . 0 0 "[ ]" 1
500 1 31 SER HA 1 32 GLY H 4.000 . 5.000 3.545 3.545 3.545 . 0 0 "[ ]" 1
501 1 31 SER QB 1 32 GLY H 3.000 . 4.300 2.889 2.889 2.889 . 0 0 "[ ]" 1
502 1 31 SER H 1 44 GLY HA3 4.000 . 5.000 2.695 2.695 2.695 . 0 0 "[ ]" 1
503 1 32 GLY H 1 32 GLY HA3 3.000 . 3.300 2.467 2.467 2.467 . 0 0 "[ ]" 1
504 1 32 GLY H 1 32 GLY HA2 3.000 . 3.300 2.988 2.988 2.988 . 0 0 "[ ]" 1
505 1 32 GLY HA3 1 33 GLY H 4.000 . 5.000 3.544 3.544 3.544 . 0 0 "[ ]" 1
506 1 32 GLY HA2 1 33 GLY H 4.000 . 5.000 2.374 2.374 2.374 . 0 0 "[ ]" 1
507 1 32 GLY H 1 42 CYS HA 4.000 . 5.000 4.342 4.342 4.342 . 0 0 "[ ]" 1
508 1 32 GLY H 1 42 CYS HB3 4.000 . 5.000 4.705 4.705 4.705 . 0 0 "[ ]" 1
509 1 32 GLY H 1 43 GLU H 3.000 . 3.300 2.277 2.277 2.277 . 0 0 "[ ]" 1
510 1 32 GLY H 1 43 GLU HB3 4.000 . 5.000 1.995 1.995 1.995 . 0 0 "[ ]" 1
511 1 32 GLY H 1 43 GLU HB2 4.000 . 5.000 3.432 3.432 3.432 . 0 0 "[ ]" 1
512 1 32 GLY H 1 44 GLY H 4.000 . 5.000 4.712 4.712 4.712 . 0 0 "[ ]" 1
513 1 33 GLY HA3 1 34 HIS H 3.000 . 3.300 3.298 3.298 3.298 . 0 0 "[ ]" 1
514 1 33 GLY HA2 1 34 HIS H 3.000 . 3.300 2.191 2.191 2.191 . 0 0 "[ ]" 1
515 1 33 GLY HA3 1 42 CYS HA 4.000 . 5.000 3.350 3.350 3.350 . 0 0 "[ ]" 1
516 1 33 GLY HA2 1 42 CYS HA 4.000 . 5.000 1.987 1.987 1.987 . 0 0 "[ ]" 1
517 1 33 GLY QA 1 43 GLU H 4.000 . 6.000 3.317 3.317 3.317 . 0 0 "[ ]" 1
518 1 34 HIS H 1 34 HIS HB2 4.000 . 5.000 3.930 3.930 3.930 . 0 0 "[ ]" 1
519 1 34 HIS H 1 34 HIS HB3 3.000 . 3.300 3.267 3.267 3.267 . 0 0 "[ ]" 1
520 1 34 HIS HA 1 34 HIS HB3 2.500 . 2.700 2.499 2.499 2.499 . 0 0 "[ ]" 1
521 1 34 HIS HA 1 34 HIS HB2 2.500 . 2.700 2.453 2.453 2.453 . 0 0 "[ ]" 1
522 1 34 HIS H 1 35 CYS H 4.000 . 5.000 4.426 4.426 4.426 . 0 0 "[ ]" 1
523 1 34 HIS HA 1 35 CYS H 2.500 . 2.700 2.503 2.503 2.503 . 0 0 "[ ]" 1
524 1 34 HIS HB3 1 35 CYS H 4.000 . 5.000 3.881 3.881 3.881 . 0 0 "[ ]" 1
525 1 34 HIS HB2 1 35 CYS H 4.000 . 5.000 2.501 2.501 2.501 . 0 0 "[ ]" 1
526 1 34 HIS H 1 41 TYR H 3.000 . 3.300 3.008 3.008 3.008 . 0 0 "[ ]" 1
527 1 34 HIS H 1 41 TYR QB 4.000 . 6.000 3.569 3.569 3.569 . 0 0 "[ ]" 1
528 1 34 HIS HE1 1 41 TYR HD2 3.000 . 3.300 1.961 1.961 1.961 . 0 0 "[ ]" 1
529 1 34 HIS H 1 42 CYS HA 4.000 . 5.000 3.561 3.561 3.561 . 0 0 "[ ]" 1
530 1 35 CYS H 1 35 CYS HB3 3.000 . 3.300 2.355 2.355 2.355 . 0 0 "[ ]" 1
531 1 35 CYS H 1 35 CYS HB2 3.000 . 3.300 2.755 2.755 2.755 . 0 0 "[ ]" 1
532 1 35 CYS H 1 36 TYR H 4.000 . 5.000 4.508 4.508 4.508 . 0 0 "[ ]" 1
533 1 35 CYS HA 1 36 TYR H 2.500 . 2.700 2.216 2.216 2.216 . 0 0 "[ ]" 1
534 1 35 CYS H 1 36 TYR QD 4.000 . 7.000 5.113 5.113 5.113 . 0 0 "[ ]" 1
535 1 35 CYS HA 1 39 SER H 4.000 . 5.000 4.721 4.721 4.721 . 0 0 "[ ]" 1
536 1 35 CYS HA 1 40 CYS HA 3.000 . 3.300 2.536 2.536 2.536 . 0 0 "[ ]" 1
537 1 35 CYS HA 1 40 CYS HB2 4.000 . 5.000 4.754 4.754 4.754 . 0 0 "[ ]" 1
538 1 35 CYS HA 1 41 TYR H 4.000 . 5.000 3.507 3.507 3.507 . 0 0 "[ ]" 1
539 1 36 TYR H 1 36 TYR HB3 4.000 . 5.000 3.144 3.144 3.144 . 0 0 "[ ]" 1
540 1 36 TYR H 1 36 TYR HB2 4.000 . 5.000 2.807 2.807 2.807 . 0 0 "[ ]" 1
541 1 36 TYR H 1 36 TYR QD 4.000 . 7.000 4.390 4.390 4.390 . 0 0 "[ ]" 1
542 1 36 TYR HA 1 36 TYR QD 2.500 . 4.700 2.956 2.956 2.956 . 0 0 "[ ]" 1
543 1 36 TYR HB3 1 36 TYR QD 2.500 . 4.700 2.538 2.538 2.538 . 0 0 "[ ]" 1
544 1 36 TYR HB2 1 36 TYR QD 2.500 . 4.700 2.327 2.327 2.327 . 0 0 "[ ]" 1
545 1 36 TYR HA 1 37 ALA H 2.300 . 2.500 2.259 2.259 2.259 . 0 0 "[ ]" 1
546 1 36 TYR HB3 1 37 ALA H 4.000 . 5.000 3.683 3.683 3.683 . 0 0 "[ ]" 1
547 1 36 TYR HB2 1 37 ALA H 4.000 . 5.000 4.414 4.414 4.414 . 0 0 "[ ]" 1
548 1 36 TYR QD 1 37 ALA MB 4.000 . 8.100 2.642 2.642 2.642 . 0 0 "[ ]" 1
549 1 36 TYR QE 1 37 ALA MB 4.000 . 8.100 4.225 4.225 4.225 . 0 0 "[ ]" 1
550 1 36 TYR QD 1 37 ALA H 3.000 . 5.300 2.528 2.528 2.528 . 0 0 "[ ]" 1
551 1 36 TYR H 1 38 MET H 4.000 . 5.000 4.255 4.255 4.255 . 0 0 "[ ]" 1
552 1 36 TYR HA 1 38 MET H 4.000 . 5.000 3.725 3.725 3.725 . 0 0 "[ ]" 1
553 1 36 TYR HA 1 39 SER H 4.000 . 5.000 4.369 4.369 4.369 . 0 0 "[ ]" 1
554 1 36 TYR H 1 39 SER H 3.000 . 3.300 3.072 3.072 3.072 . 0 0 "[ ]" 1
555 1 36 TYR H 1 40 CYS HA 4.000 . 5.000 3.367 3.367 3.367 . 0 0 "[ ]" 1
556 1 36 TYR H 1 41 TYR H 4.000 . 5.000 4.115 4.115 4.115 . 0 0 "[ ]" 1
557 1 36 TYR H 1 41 TYR QB 4.000 . 6.000 3.841 3.841 3.841 . 0 0 "[ ]" 1
558 1 36 TYR QB 1 41 TYR QB 4.000 . 7.000 2.930 2.930 2.930 . 0 0 "[ ]" 1
559 1 36 TYR QD 1 41 TYR QB 4.000 . 8.000 4.481 4.481 4.481 . 0 0 "[ ]" 1
560 1 36 TYR QD 1 41 TYR QD 4.000 . 9.000 5.246 5.246 5.246 . 0 0 "[ ]" 1
561 1 36 TYR QE 1 41 TYR QD 4.000 . 9.000 6.664 6.664 6.664 . 0 0 "[ ]" 1
562 1 37 ALA H 1 37 ALA HA 2.300 . 2.500 2.365 2.365 2.365 . 0 0 "[ ]" 1
563 1 37 ALA H 1 37 ALA MB 3.000 . 4.400 2.821 2.821 2.821 . 0 0 "[ ]" 1
564 1 37 ALA H 1 38 MET H 4.000 . 5.000 2.818 2.818 2.818 . 0 0 "[ ]" 1
565 1 37 ALA HA 1 38 MET H 4.000 . 5.000 2.911 2.911 2.911 . 0 0 "[ ]" 1
566 1 37 ALA MB 1 38 MET H 4.000 . 6.100 3.656 3.656 3.656 . 0 0 "[ ]" 1
567 1 37 ALA H 1 39 SER H 4.000 . 5.000 4.105 4.105 4.105 . 0 0 "[ ]" 1
568 1 37 ALA MB 1 39 SER H 4.000 . 6.100 3.193 3.193 3.193 . 0 0 "[ ]" 1
569 1 38 MET H 1 38 MET HA 3.000 . 3.300 2.364 2.364 2.364 . 0 0 "[ ]" 1
570 1 38 MET H 1 38 MET HB3 4.000 . 5.000 4.073 4.073 4.073 . 0 0 "[ ]" 1
571 1 38 MET H 1 38 MET HB2 4.000 . 5.000 3.161 3.161 3.161 . 0 0 "[ ]" 1
572 1 38 MET HA 1 39 SER H 4.000 . 5.000 3.183 3.183 3.183 . 0 0 "[ ]" 1
573 1 38 MET H 1 39 SER H 3.000 . 3.300 2.716 2.716 2.716 . 0 0 "[ ]" 1
574 1 38 MET QB 1 39 SER H 4.000 . 6.000 3.547 3.547 3.547 . 0 0 "[ ]" 1
575 1 39 SER H 1 39 SER HB3 4.000 . 5.000 3.798 3.798 3.798 . 0 0 "[ ]" 1
576 1 39 SER H 1 39 SER HB2 3.000 . 3.300 2.686 2.686 2.686 . 0 0 "[ ]" 1
577 1 39 SER HA 1 39 SER HB3 3.000 . 3.300 2.425 2.425 2.425 . 0 0 "[ ]" 1
578 1 39 SER HA 1 40 CYS H 2.300 . 2.500 2.260 2.260 2.260 . 0 0 "[ ]" 1
579 1 39 SER HB3 1 40 CYS H 3.000 . 3.300 3.187 3.187 3.187 . 0 0 "[ ]" 1
580 1 39 SER HB2 1 40 CYS H 4.000 . 5.000 4.002 4.002 4.002 . 0 0 "[ ]" 1
581 1 40 CYS H 1 40 CYS HB3 3.000 . 3.300 2.687 2.687 2.687 . 0 0 "[ ]" 1
582 1 40 CYS H 1 40 CYS HB2 3.000 . 3.300 2.223 2.223 2.223 . 0 0 "[ ]" 1
583 1 40 CYS HA 1 40 CYS HB2 3.000 . 3.300 2.615 2.615 2.615 . 0 0 "[ ]" 1
584 1 40 CYS HA 1 41 TYR H 2.300 . 2.500 2.269 2.269 2.269 . 0 0 "[ ]" 1
585 1 40 CYS H 1 41 TYR H 4.000 . 5.000 4.657 4.657 4.657 . 0 0 "[ ]" 1
586 1 40 CYS HB2 1 41 TYR H 4.000 . 5.000 4.330 4.330 4.330 . 0 0 "[ ]" 1
587 1 41 TYR H 1 41 TYR HB3 3.000 . 3.300 2.707 2.707 2.707 . 0 0 "[ ]" 1
588 1 41 TYR H 1 41 TYR HB2 3.000 . 3.300 3.142 3.142 3.142 . 0 0 "[ ]" 1
589 1 41 TYR HA 1 41 TYR HB2 3.000 . 3.300 2.489 2.489 2.489 . 0 0 "[ ]" 1
590 1 41 TYR H 1 41 TYR QD 4.000 . 7.000 4.315 4.315 4.315 . 0 0 "[ ]" 1
591 1 41 TYR HB3 1 41 TYR QD 3.000 . 5.300 2.358 2.358 2.358 . 0 0 "[ ]" 1
592 1 41 TYR HB2 1 41 TYR QD 3.000 . 5.300 2.478 2.478 2.478 . 0 0 "[ ]" 1
593 1 41 TYR HA 1 41 TYR QD 3.000 . 5.300 2.703 2.703 2.703 . 0 0 "[ ]" 1
594 1 41 TYR HA 1 42 CYS H 2.300 . 2.500 2.213 2.213 2.213 . 0 0 "[ ]" 1
595 1 41 TYR QB 1 42 CYS H 4.000 . 6.000 3.852 3.852 3.852 . 0 0 "[ ]" 1
596 1 41 TYR QD 1 42 CYS H 3.000 . 5.300 3.712 3.712 3.712 . 0 0 "[ ]" 1
597 1 41 TYR QE 1 42 CYS H 4.000 . 7.000 4.633 4.633 4.633 . 0 0 "[ ]" 1
598 1 42 CYS H 1 42 CYS HB3 4.000 . 5.000 3.683 3.683 3.683 . 0 0 "[ ]" 1
599 1 42 CYS H 1 42 CYS HB2 3.000 . 3.300 2.566 2.566 2.566 . 0 0 "[ ]" 1
600 1 42 CYS H 1 43 GLU H 4.000 . 5.000 4.539 4.539 4.539 . 0 0 "[ ]" 1
601 1 42 CYS HA 1 43 GLU H 2.300 . 2.500 2.275 2.275 2.275 . 0 0 "[ ]" 1
602 1 42 CYS HB3 1 43 GLU H 3.000 . 3.300 3.135 3.135 3.135 . 0 0 "[ ]" 1
603 1 42 CYS HB2 1 43 GLU H 4.000 . 5.000 3.943 3.943 3.943 . 0 0 "[ ]" 1
604 1 42 CYS HB3 1 45 LEU MD1 4.000 . 6.100 3.302 3.302 3.302 . 0 0 "[ ]" 1
605 1 42 CYS HB3 1 45 LEU MD2 4.000 . 6.100 2.965 2.965 2.965 . 0 0 "[ ]" 1
606 1 42 CYS HB2 1 45 LEU MD1 4.000 . 6.100 1.856 1.856 1.856 . 0 0 "[ ]" 1
607 1 42 CYS HB2 1 45 LEU MD2 4.000 . 6.100 2.670 2.670 2.670 . 0 0 "[ ]" 1
608 1 43 GLU H 1 43 GLU HB3 3.000 . 3.300 2.589 2.589 2.589 . 0 0 "[ ]" 1
609 1 43 GLU H 1 43 GLU HB2 3.000 . 3.300 2.736 2.736 2.736 . 0 0 "[ ]" 1
610 1 43 GLU H 1 43 GLU QG 4.000 . 6.000 4.026 4.026 4.026 . 0 0 "[ ]" 1
611 1 43 GLU HA 1 43 GLU HB2 3.000 . 3.300 2.547 2.547 2.547 . 0 0 "[ ]" 1
612 1 43 GLU H 1 44 GLY H 4.000 . 5.000 4.224 4.224 4.224 . 0 0 "[ ]" 1
613 1 43 GLU HA 1 44 GLY H 2.300 . 2.500 2.235 2.235 2.235 . 0 0 "[ ]" 1
614 1 43 GLU HB3 1 44 GLY H 4.000 . 5.000 4.348 4.348 4.348 . 0 0 "[ ]" 1
615 1 43 GLU HB2 1 44 GLY H 4.000 . 5.000 4.572 4.572 4.572 . 0 0 "[ ]" 1
616 1 43 GLU HA 1 45 LEU H 4.000 . 5.000 3.633 3.633 3.633 . 0 0 "[ ]" 1
617 1 44 GLY H 1 44 GLY HA3 3.000 . 3.300 2.994 2.994 2.994 . 0 0 "[ ]" 1
618 1 44 GLY H 1 44 GLY HA2 3.000 . 3.300 2.532 2.532 2.532 . 0 0 "[ ]" 1
619 1 44 GLY HA3 1 45 LEU H 4.000 . 5.000 3.390 3.390 3.390 . 0 0 "[ ]" 1
620 1 44 GLY HA2 1 45 LEU H 4.000 . 5.000 3.182 3.182 3.182 . 0 0 "[ ]" 1
621 1 44 GLY H 1 45 LEU H 3.000 . 3.300 1.880 1.880 1.880 . 0 0 "[ ]" 1
622 1 45 LEU H 1 45 LEU HB3 4.000 . 5.000 3.510 3.510 3.510 . 0 0 "[ ]" 1
623 1 45 LEU H 1 45 LEU HB2 2.300 . 2.500 2.256 2.256 2.256 . 0 0 "[ ]" 1
624 1 45 LEU H 1 45 LEU HG 3.000 . 3.300 2.270 2.270 2.270 . 0 0 "[ ]" 1
625 1 45 LEU H 1 45 LEU MD1 3.000 . 4.200 3.329 3.329 3.329 . 0 0 "[ ]" 1
626 1 45 LEU H 1 45 LEU MD2 4.000 . 6.100 3.643 3.643 3.643 . 0 0 "[ ]" 1
627 1 45 LEU HA 1 45 LEU HB3 3.000 . 3.300 2.582 2.582 2.582 . 0 0 "[ ]" 1
628 1 45 LEU HA 1 45 LEU HG 4.000 . 5.000 2.688 2.688 2.688 . 0 0 "[ ]" 1
629 1 45 LEU HA 1 45 LEU MD1 4.000 . 6.100 3.797 3.797 3.797 . 0 0 "[ ]" 1
630 1 45 LEU HA 1 45 LEU MD2 2.300 . 3.200 2.194 2.194 2.194 . 0 0 "[ ]" 1
631 1 45 LEU HA 1 46 PRO HD3 3.000 . 3.300 2.277 2.277 2.277 . 0 0 "[ ]" 1
632 1 45 LEU HA 1 46 PRO HD2 3.000 . 3.300 2.608 2.608 2.608 . 0 0 "[ ]" 1
633 1 45 LEU HG 1 46 PRO HD3 4.000 . 6.000 4.652 4.652 4.652 . 0 0 "[ ]" 1
634 1 45 LEU HG 1 46 PRO HD2 4.000 . 6.000 4.190 4.190 4.190 . 0 0 "[ ]" 1
635 1 45 LEU MD2 1 46 PRO HD3 3.000 . 4.200 2.575 2.575 2.575 . 0 0 "[ ]" 1
636 1 45 LEU MD2 1 46 PRO HD2 3.000 . 4.200 1.943 1.943 1.943 . 0 0 "[ ]" 1
637 1 45 LEU H 1 46 PRO HD3 4.000 . 5.000 5.019 5.019 5.019 0.019 1 0 "[ ]" 1
638 1 45 LEU H 1 46 PRO HD2 4.000 . 5.000 4.774 4.774 4.774 . 0 0 "[ ]" 1
639 1 46 PRO HA 1 46 PRO HB3 3.000 . 3.300 2.314 2.314 2.314 . 0 0 "[ ]" 1
640 1 46 PRO HB3 1 46 PRO HD3 4.000 . 5.000 3.084 3.084 3.084 . 0 0 "[ ]" 1
641 1 46 PRO HB3 1 46 PRO HD2 4.000 . 5.000 3.902 3.902 3.902 . 0 0 "[ ]" 1
642 1 46 PRO HB2 1 46 PRO HD3 4.000 . 5.000 3.967 3.967 3.967 . 0 0 "[ ]" 1
643 1 46 PRO HB2 1 46 PRO HD2 4.000 . 5.000 4.002 4.002 4.002 . 0 0 "[ ]" 1
644 1 46 PRO HA 1 47 GLU H 2.500 . 2.700 2.308 2.308 2.308 . 0 0 "[ ]" 1
645 1 46 PRO HB3 1 47 GLU H 4.000 . 5.000 3.798 3.798 3.798 . 0 0 "[ ]" 1
646 1 46 PRO HB2 1 47 GLU H 4.000 . 5.000 3.132 3.132 3.132 . 0 0 "[ ]" 1
647 1 46 PRO QG 1 47 GLU H 4.000 . 6.000 4.485 4.485 4.485 . 0 0 "[ ]" 1
648 1 46 PRO HA 1 48 ASN H 4.000 . 5.000 3.817 3.817 3.817 . 0 0 "[ ]" 1
649 1 46 PRO HB3 1 48 ASN H 4.000 . 5.000 3.933 3.933 3.933 . 0 0 "[ ]" 1
650 1 46 PRO HB2 1 48 ASN H 4.000 . 5.000 2.250 2.250 2.250 . 0 0 "[ ]" 1
651 1 46 PRO QG 1 48 ASN H 4.000 . 6.000 3.378 3.378 3.378 . 0 0 "[ ]" 1
652 1 46 PRO HB3 1 49 ALA H 4.000 . 5.000 4.967 4.967 4.967 . 0 0 "[ ]" 1
653 1 46 PRO HB2 1 49 ALA H 4.000 . 5.000 3.510 3.510 3.510 . 0 0 "[ ]" 1
654 1 46 PRO QG 1 49 ALA H 4.000 . 6.000 2.822 2.822 2.822 . 0 0 "[ ]" 1
655 1 47 GLU H 1 47 GLU HA 3.000 . 3.300 2.845 2.845 2.845 . 0 0 "[ ]" 1
656 1 47 GLU H 1 47 GLU HB3 3.000 . 3.300 2.474 2.474 2.474 . 0 0 "[ ]" 1
657 1 47 GLU H 1 47 GLU HB2 3.000 . 3.300 2.394 2.394 2.394 . 0 0 "[ ]" 1
658 1 47 GLU H 1 47 GLU QG 3.000 . 4.300 3.917 3.917 3.917 . 0 0 "[ ]" 1
659 1 47 GLU HA 1 47 GLU HB2 3.000 . 3.300 2.484 2.484 2.484 . 0 0 "[ ]" 1
660 1 47 GLU HB3 1 48 ASN H 4.000 . 5.000 3.126 3.126 3.126 . 0 0 "[ ]" 1
661 1 47 GLU HB2 1 48 ASN H 4.000 . 5.000 4.141 4.141 4.141 . 0 0 "[ ]" 1
662 1 47 GLU QG 1 48 ASN H 4.000 . 6.000 4.022 4.022 4.022 . 0 0 "[ ]" 1
663 1 47 GLU H 1 48 ASN H 3.000 . 3.300 2.710 2.710 2.710 . 0 0 "[ ]" 1
664 1 47 GLU HA 1 48 ASN H 4.000 . 5.000 3.439 3.439 3.439 . 0 0 "[ ]" 1
665 1 47 GLU H 1 49 ALA H 4.000 . 5.000 4.409 4.409 4.409 . 0 0 "[ ]" 1
666 1 47 GLU HA 1 49 ALA H 4.000 . 5.000 3.815 3.815 3.815 . 0 0 "[ ]" 1
667 1 48 ASN H 1 48 ASN HA 3.000 . 3.300 2.998 2.998 2.998 . 0 0 "[ ]" 1
668 1 48 ASN H 1 48 ASN HB3 3.000 . 3.300 2.799 2.799 2.799 . 0 0 "[ ]" 1
669 1 48 ASN H 1 48 ASN HB2 4.000 . 5.000 3.682 3.682 3.682 . 0 0 "[ ]" 1
670 1 48 ASN HA 1 48 ASN HB3 2.500 . 2.700 2.510 2.510 2.510 . 0 0 "[ ]" 1
671 1 48 ASN HA 1 48 ASN HB2 2.500 . 2.700 2.441 2.441 2.441 . 0 0 "[ ]" 1
672 1 48 ASN HB3 1 49 ALA H 4.000 . 5.000 4.488 4.488 4.488 . 0 0 "[ ]" 1
673 1 48 ASN HB2 1 49 ALA H 4.000 . 5.000 4.499 4.499 4.499 . 0 0 "[ ]" 1
674 1 48 ASN HA 1 49 ALA H 3.000 . 3.300 3.091 3.091 3.091 . 0 0 "[ ]" 1
675 1 48 ASN H 1 49 ALA H 2.500 . 2.700 2.535 2.535 2.535 . 0 0 "[ ]" 1
676 1 48 ASN H 1 49 ALA MB 4.000 . 6.100 3.746 3.746 3.746 . 0 0 "[ ]" 1
677 1 49 ALA H 1 49 ALA HA 3.000 . 3.300 2.904 2.904 2.904 . 0 0 "[ ]" 1
678 1 49 ALA H 1 49 ALA MB 2.500 . 3.400 2.033 2.033 2.033 . 0 0 "[ ]" 1
679 1 49 ALA HA 1 50 LYS H 2.500 . 2.700 2.381 2.381 2.381 . 0 0 "[ ]" 1
680 1 49 ALA MB 1 50 LYS H 2.500 . 3.400 2.774 2.774 2.774 . 0 0 "[ ]" 1
681 1 49 ALA H 1 50 LYS H 4.000 . 5.000 4.671 4.671 4.671 . 0 0 "[ ]" 1
682 1 49 ALA MB 1 51 VAL H 4.000 . 6.100 4.008 4.008 4.008 . 0 0 "[ ]" 1
683 1 49 ALA H 1 51 VAL MG1 4.000 . 6.100 4.959 4.959 4.959 . 0 0 "[ ]" 1
684 1 49 ALA H 1 51 VAL MG2 4.000 . 6.100 4.546 4.546 4.546 . 0 0 "[ ]" 1
685 1 50 LYS H 1 50 LYS HA 3.000 . 3.300 2.975 2.975 2.975 . 0 0 "[ ]" 1
686 1 50 LYS H 1 50 LYS HB3 3.000 . 4.300 2.510 2.510 2.510 . 0 0 "[ ]" 1
687 1 50 LYS H 1 50 LYS HB2 3.000 . 4.300 2.586 2.586 2.586 . 0 0 "[ ]" 1
688 1 50 LYS HA 1 50 LYS HB3 3.000 . 3.300 3.033 3.033 3.033 . 0 0 "[ ]" 1
689 1 50 LYS HA 1 50 LYS HB2 3.000 . 3.300 2.536 2.536 2.536 . 0 0 "[ ]" 1
690 1 50 LYS HA 1 50 LYS HG3 4.000 . 5.000 2.343 2.343 2.343 . 0 0 "[ ]" 1
691 1 50 LYS HA 1 50 LYS HG2 4.000 . 5.000 3.616 3.616 3.616 . 0 0 "[ ]" 1
692 1 50 LYS HA 1 51 VAL H 2.300 . 2.500 2.314 2.314 2.314 . 0 0 "[ ]" 1
693 1 50 LYS QB 1 51 VAL H 4.000 . 6.000 4.033 4.033 4.033 . 0 0 "[ ]" 1
694 1 51 VAL H 1 51 VAL HA 3.000 . 3.300 2.994 2.994 2.994 . 0 0 "[ ]" 1
695 1 51 VAL H 1 51 VAL HB 4.000 . 5.000 3.785 3.785 3.785 . 0 0 "[ ]" 1
696 1 51 VAL H 1 51 VAL MG2 2.500 . 3.400 1.858 1.858 1.858 . 0 0 "[ ]" 1
697 1 51 VAL H 1 51 VAL MG1 4.000 . 6.100 2.852 2.852 2.852 . 0 0 "[ ]" 1
698 1 51 VAL HA 1 51 VAL HB 2.500 . 2.700 2.505 2.505 2.505 . 0 0 "[ ]" 1
699 1 51 VAL HA 1 51 VAL MG1 2.500 . 3.400 2.392 2.392 2.392 . 0 0 "[ ]" 1
700 1 51 VAL MG2 1 52 SER H 4.000 . 6.100 3.499 3.499 3.499 . 0 0 "[ ]" 1
701 1 51 VAL MG1 1 52 SER H 4.000 . 6.100 3.758 3.758 3.758 . 0 0 "[ ]" 1
702 1 51 VAL HA 1 52 SER H 2.300 . 2.500 2.489 2.489 2.489 . 0 0 "[ ]" 1
703 1 51 VAL HB 1 52 SER H 2.300 . 2.500 2.494 2.494 2.494 . 0 0 "[ ]" 1
704 1 52 SER H 1 52 SER HA 3.000 . 3.300 2.962 2.962 2.962 . 0 0 "[ ]" 1
705 1 52 SER H 1 52 SER HB3 3.000 . 3.300 2.265 2.265 2.265 . 0 0 "[ ]" 1
706 1 52 SER H 1 52 SER HB2 3.000 . 3.300 2.792 2.792 2.792 . 0 0 "[ ]" 1
707 1 52 SER HA 1 52 SER HB2 3.000 . 3.300 2.415 2.415 2.415 . 0 0 "[ ]" 1
708 1 52 SER HA 1 53 ASP H 2.300 . 2.500 2.231 2.231 2.231 . 0 0 "[ ]" 1
709 1 52 SER HB3 1 53 ASP H 4.000 . 5.000 4.264 4.264 4.264 . 0 0 "[ ]" 1
710 1 52 SER HB2 1 53 ASP H 4.000 . 5.000 4.204 4.204 4.204 . 0 0 "[ ]" 1
711 1 53 ASP H 1 53 ASP HB3 4.000 . 5.000 2.659 2.659 2.659 . 0 0 "[ ]" 1
712 1 53 ASP H 1 53 ASP HB2 4.000 . 5.000 3.583 3.583 3.583 . 0 0 "[ ]" 1
713 1 53 ASP HB3 1 54 SER H 4.000 . 5.000 4.568 4.568 4.568 . 0 0 "[ ]" 1
714 1 53 ASP HB2 1 54 SER H 4.000 . 5.000 4.494 4.494 4.494 . 0 0 "[ ]" 1
715 1 53 ASP HA 1 54 SER H 3.000 . 3.300 3.005 3.005 3.005 . 0 0 "[ ]" 1
716 1 53 ASP H 1 54 SER H 3.000 . 3.300 2.930 2.930 2.930 . 0 0 "[ ]" 1
717 1 54 SER H 1 54 SER HA 3.000 . 3.300 2.968 2.968 2.968 . 0 0 "[ ]" 1
718 1 54 SER H 1 54 SER HB3 3.000 . 3.300 3.008 3.008 3.008 . 0 0 "[ ]" 1
719 1 54 SER H 1 54 SER HB2 4.000 . 5.000 3.928 3.928 3.928 . 0 0 "[ ]" 1
720 1 54 SER HA 1 54 SER HB3 3.000 . 3.300 2.626 2.626 2.626 . 0 0 "[ ]" 1
721 1 54 SER HA 1 54 SER HB2 3.000 . 3.300 2.349 2.349 2.349 . 0 0 "[ ]" 1
722 1 54 SER HB3 1 55 ALA H 4.000 . 5.000 4.457 4.457 4.457 . 0 0 "[ ]" 1
723 1 54 SER HB2 1 55 ALA H 4.000 . 5.000 3.481 3.481 3.481 . 0 0 "[ ]" 1
724 1 54 SER HA 1 55 ALA H 3.000 . 3.300 2.222 2.222 2.222 . 0 0 "[ ]" 1
725 1 54 SER H 1 55 ALA H 4.000 . 5.000 4.229 4.229 4.229 . 0 0 "[ ]" 1
726 1 54 SER H 1 56 THR H 4.000 . 5.000 4.754 4.754 4.754 . 0 0 "[ ]" 1
727 1 54 SER HA 1 56 THR H 4.000 . 5.000 3.577 3.577 3.577 . 0 0 "[ ]" 1
728 1 55 ALA H 1 55 ALA MB 3.000 . 4.400 2.145 2.145 2.145 . 0 0 "[ ]" 1
729 1 55 ALA MB 1 56 THR H 4.000 . 6.100 3.291 3.291 3.291 . 0 0 "[ ]" 1
730 1 55 ALA H 1 56 THR H 2.500 . 2.700 2.643 2.643 2.643 . 0 0 "[ ]" 1
731 1 55 ALA HA 1 56 THR H 4.000 . 5.000 3.280 3.280 3.280 . 0 0 "[ ]" 1
732 1 56 THR H 1 56 THR HB 4.000 . 5.000 3.063 3.063 3.063 . 0 0 "[ ]" 1
733 1 56 THR H 1 56 THR MG 4.000 . 6.100 3.878 3.878 3.878 . 0 0 "[ ]" 1
734 1 56 THR MG 1 57 ASN H 4.000 . 6.100 4.110 4.110 4.110 . 0 0 "[ ]" 1
735 1 56 THR H 1 57 ASN H 4.000 . 5.000 3.250 3.250 3.250 . 0 0 "[ ]" 1
736 1 56 THR HA 1 57 ASN H 2.500 . 2.700 2.575 2.575 2.575 . 0 0 "[ ]" 1
737 1 56 THR HB 1 57 ASN H 4.000 . 5.000 4.332 4.332 4.332 . 0 0 "[ ]" 1
738 1 57 ASN H 1 57 ASN HB3 4.000 . 5.000 2.652 2.652 2.652 . 0 0 "[ ]" 1
739 1 57 ASN H 1 57 ASN HB2 4.000 . 5.000 3.656 3.656 3.656 . 0 0 "[ ]" 1
740 1 57 ASN HA 1 57 ASN HB3 2.500 . 2.700 2.549 2.549 2.549 . 0 0 "[ ]" 1
741 1 57 ASN HA 1 57 ASN HB2 2.500 . 2.700 2.407 2.407 2.407 . 0 0 "[ ]" 1
742 1 57 ASN H 1 58 ILE H 4.000 . 5.000 4.576 4.576 4.576 . 0 0 "[ ]" 1
743 1 57 ASN HA 1 58 ILE H 2.500 . 2.700 2.445 2.445 2.445 . 0 0 "[ ]" 1
744 1 58 ILE H 1 58 ILE HA 3.000 . 3.300 2.995 2.995 2.995 . 0 0 "[ ]" 1
745 1 58 ILE H 1 58 ILE HB 3.000 . 3.300 2.524 2.524 2.524 . 0 0 "[ ]" 1
746 1 58 ILE H 1 58 ILE MG 3.000 . 4.400 3.763 3.763 3.763 . 0 0 "[ ]" 1
747 1 58 ILE HA 1 58 ILE HB 3.000 . 3.300 3.026 3.026 3.026 . 0 0 "[ ]" 1
748 1 58 ILE HA 1 58 ILE MG 3.000 . 4.400 2.443 2.443 2.443 . 0 0 "[ ]" 1
749 1 58 ILE HA 1 58 ILE MD 4.000 . 6.100 3.534 3.534 3.534 . 0 0 "[ ]" 1
750 1 58 ILE HA 1 59 CYS H 2.500 . 2.700 2.235 2.235 2.235 . 0 0 "[ ]" 1
751 1 58 ILE HB 1 59 CYS H 4.000 . 5.000 4.510 4.510 4.510 . 0 0 "[ ]" 1
752 1 58 ILE MG 1 59 CYS H 4.000 . 6.100 3.057 3.057 3.057 . 0 0 "[ ]" 1
753 1 59 CYS H 1 59 CYS HA 3.000 . 3.300 2.932 2.932 2.932 . 0 0 "[ ]" 1
754 1 59 CYS HA 1 60 GLY H 3.000 . 3.300 2.219 2.219 2.219 . 0 0 "[ ]" 1
755 1 59 CYS QB 1 60 GLY H 3.000 . 4.300 3.813 3.813 3.813 . 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 70
_Distance_constraint_stats_list.Viol_count 6
_Distance_constraint_stats_list.Viol_total 3.608
_Distance_constraint_stats_list.Viol_max 1.748
_Distance_constraint_stats_list.Viol_rms 0.2778
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0515
_Distance_constraint_stats_list.Viol_average_violations_only 0.6014
_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 1 LYS 0.000 0.000 . 0 "[ ]"
1 2 ASP 0.000 0.000 . 0 "[ ]"
1 3 GLY 0.013 0.013 1 0 "[ ]"
1 4 TYR 0.002 0.002 1 0 "[ ]"
1 5 PRO 0.000 0.000 . 0 "[ ]"
1 6 VAL 0.000 0.000 . 0 "[ ]"
1 7 ASP 0.000 0.000 . 0 "[ ]"
1 9 LYS 0.000 0.000 . 0 "[ ]"
1 10 GLY 0.000 0.000 . 0 "[ ]"
1 11 CYS 0.000 0.000 . 0 "[ ]"
1 13 LEU 0.000 0.000 . 0 "[ ]"
1 15 CYS 0.000 0.000 . 0 "[ ]"
1 18 ASN 0.290 0.290 1 0 "[ ]"
1 19 ASN 0.000 0.000 . 0 "[ ]"
1 20 TYR 0.000 0.000 . 0 "[ ]"
1 21 CYS 0.290 0.290 1 0 "[ ]"
1 22 ASP 3.276 1.748 1 1 [+]
1 23 ASN 0.000 0.000 . 0 "[ ]"
1 24 GLN 0.027 0.027 1 0 "[ ]"
1 25 CYS 0.000 0.000 . 0 "[ ]"
1 26 LYS 0.000 0.000 . 0 "[ ]"
1 27 MET 0.000 0.000 . 0 "[ ]"
1 28 LYS 0.027 0.027 1 0 "[ ]"
1 29 LYS 0.000 0.000 . 0 "[ ]"
1 30 ALA 0.000 0.000 . 0 "[ ]"
1 31 SER 0.000 0.000 . 0 "[ ]"
1 32 GLY 0.000 0.000 . 0 "[ ]"
1 33 GLY 3.276 1.748 1 1 [+]
1 34 HIS 0.000 0.000 . 0 "[ ]"
1 35 CYS 0.000 0.000 . 0 "[ ]"
1 36 TYR 0.000 0.000 . 0 "[ ]"
1 38 MET 0.000 0.000 . 0 "[ ]"
1 39 SER 0.000 0.000 . 0 "[ ]"
1 40 CYS 0.000 0.000 . 0 "[ ]"
1 41 TYR 0.000 0.000 . 0 "[ ]"
1 42 CYS 0.013 0.013 1 0 "[ ]"
1 43 GLU 0.000 0.000 . 0 "[ ]"
1 44 GLY 0.000 0.000 . 0 "[ ]"
1 45 LEU 0.000 0.000 . 0 "[ ]"
1 46 PRO 0.000 0.000 . 0 "[ ]"
1 47 GLU 0.000 0.000 . 0 "[ ]"
1 49 ALA 0.000 0.000 . 0 "[ ]"
1 50 LYS 0.000 0.000 . 0 "[ ]"
1 52 SER 0.002 0.002 1 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 3 GLY H 1 42 CYS O 2.100 . 2.300 2.313 2.313 2.313 0.013 1 0 "[ ]" 2
2 1 3 GLY N 1 42 CYS O 3.100 2.500 3.300 3.234 3.234 3.234 . 0 0 "[ ]" 2
3 1 3 GLY O 1 42 CYS H 2.100 . 2.300 2.163 2.163 2.163 . 0 0 "[ ]" 2
4 1 3 GLY O 1 42 CYS N 3.100 2.500 3.300 3.064 3.064 3.064 . 0 0 "[ ]" 2
5 1 36 TYR H 1 39 SER O 2.100 . 2.300 1.995 1.995 1.995 . 0 0 "[ ]" 2
6 1 36 TYR N 1 39 SER O 3.100 2.500 3.300 2.956 2.956 2.956 . 0 0 "[ ]" 2
7 1 36 TYR O 1 39 SER H 2.100 . 2.300 1.795 1.795 1.795 . 0 0 "[ ]" 2
8 1 36 TYR O 1 39 SER N 3.100 2.500 3.300 2.708 2.708 2.708 . 0 0 "[ ]" 2
9 1 34 HIS O 1 41 TYR H 2.100 . 2.300 2.118 2.118 2.118 . 0 0 "[ ]" 2
10 1 34 HIS O 1 41 TYR N 3.100 2.500 3.300 3.038 3.038 3.038 . 0 0 "[ ]" 2
11 1 34 HIS H 1 41 TYR O 2.100 . 2.300 2.096 2.096 2.096 . 0 0 "[ ]" 2
12 1 34 HIS N 1 41 TYR O 3.100 2.500 3.300 3.043 3.043 3.043 . 0 0 "[ ]" 2
13 1 32 GLY O 1 43 GLU H 2.100 . 2.300 2.015 2.015 2.015 . 0 0 "[ ]" 2
14 1 32 GLY O 1 43 GLU N 3.100 2.500 3.300 2.625 2.625 2.625 . 0 0 "[ ]" 2
15 1 32 GLY H 1 43 GLU O 2.100 . 2.300 1.991 1.991 1.991 . 0 0 "[ ]" 2
16 1 32 GLY N 1 43 GLU O 3.100 2.500 3.300 2.924 2.924 2.924 . 0 0 "[ ]" 2
17 1 31 SER H 1 43 GLU O 2.100 . 2.300 1.689 1.689 1.689 . 0 0 "[ ]" 2
18 1 31 SER N 1 43 GLU O 3.100 2.500 3.300 2.620 2.620 2.620 . 0 0 "[ ]" 2
19 1 18 ASN O 1 22 ASP H 2.100 . 2.300 1.861 1.861 1.861 . 0 0 "[ ]" 2
20 1 18 ASN O 1 22 ASP N 3.100 2.500 3.300 2.834 2.834 2.834 . 0 0 "[ ]" 2
21 1 19 ASN O 1 23 ASN H 2.100 . 2.300 2.167 2.167 2.167 . 0 0 "[ ]" 2
22 1 19 ASN O 1 23 ASN N 3.100 2.500 3.300 3.138 3.138 3.138 . 0 0 "[ ]" 2
23 1 20 TYR O 1 24 GLN H 2.100 . 2.300 2.237 2.237 2.237 . 0 0 "[ ]" 2
24 1 20 TYR O 1 24 GLN N 3.100 2.500 3.300 3.190 3.190 3.190 . 0 0 "[ ]" 2
25 1 21 CYS O 1 25 CYS H 2.100 . 2.300 1.863 1.863 1.863 . 0 0 "[ ]" 2
26 1 21 CYS O 1 25 CYS N 3.100 2.500 3.300 2.760 2.760 2.760 . 0 0 "[ ]" 2
27 1 22 ASP O 1 26 LYS H 2.100 . 2.300 2.077 2.077 2.077 . 0 0 "[ ]" 2
28 1 22 ASP O 1 26 LYS N 3.100 2.500 3.300 3.029 3.029 3.029 . 0 0 "[ ]" 2
29 1 23 ASN O 1 27 MET H 2.100 . 2.300 2.051 2.051 2.051 . 0 0 "[ ]" 2
30 1 23 ASN O 1 27 MET N 3.100 2.500 3.300 3.015 3.015 3.015 . 0 0 "[ ]" 2
31 1 24 GLN O 1 28 LYS H 2.100 . 2.300 2.327 2.327 2.327 0.027 1 0 "[ ]" 2
32 1 24 GLN O 1 28 LYS N 3.100 2.500 3.300 3.167 3.167 3.167 . 0 0 "[ ]" 2
33 1 26 LYS O 1 29 LYS H 2.100 . 2.300 1.941 1.941 1.941 . 0 0 "[ ]" 2
34 1 26 LYS O 1 29 LYS N 3.100 2.500 3.300 2.780 2.780 2.780 . 0 0 "[ ]" 2
35 1 25 CYS O 1 30 ALA H 2.100 . 2.300 2.217 2.217 2.217 . 0 0 "[ ]" 2
36 1 25 CYS O 1 30 ALA N 3.100 2.500 3.300 3.041 3.041 3.041 . 0 0 "[ ]" 2
37 1 7 ASP O 1 10 GLY H 2.100 . 2.300 2.004 2.004 2.004 . 0 0 "[ ]" 2
38 1 7 ASP O 1 10 GLY N 3.100 2.500 3.300 2.823 2.823 2.823 . 0 0 "[ ]" 2
39 1 46 PRO O 1 49 ALA N 3.100 2.500 3.300 2.872 2.872 2.872 . 0 0 "[ ]" 2
40 1 46 PRO O 1 49 ALA H 2.100 . 2.300 1.969 1.969 1.969 . 0 0 "[ ]" 2
41 1 7 ASP H 1 11 CYS O 2.100 . 2.300 2.228 2.228 2.228 . 0 0 "[ ]" 2
42 1 7 ASP N 1 11 CYS O 3.100 2.500 3.300 3.044 3.044 3.044 . 0 0 "[ ]" 2
43 1 7 ASP OD1 1 9 LYS H 2.100 . 2.300 2.145 2.145 2.145 . 0 0 "[ ]" 2
44 1 7 ASP OD1 1 9 LYS N 3.100 2.500 3.300 2.834 2.834 2.834 . 0 0 "[ ]" 2
45 1 7 ASP OD1 1 11 CYS H 2.100 . 2.300 1.729 1.729 1.729 . 0 0 "[ ]" 2
46 1 7 ASP OD1 1 11 CYS N 3.100 2.500 3.300 2.707 2.707 2.707 . 0 0 "[ ]" 2
47 1 1 LYS O 1 45 LEU H 2.100 . 2.300 2.032 2.032 2.032 . 0 0 "[ ]" 2
48 1 1 LYS O 1 45 LEU N 3.100 2.500 3.300 2.575 2.575 2.575 . 0 0 "[ ]" 2
49 1 4 TYR O 1 52 SER H 2.100 . 2.300 2.302 2.302 2.302 0.002 1 0 "[ ]" 2
50 1 4 TYR O 1 52 SER N 3.100 2.500 3.300 3.108 3.108 3.108 . 0 0 "[ ]" 2
51 1 6 VAL H 1 50 LYS O 2.100 . 2.300 2.250 2.250 2.250 . 0 0 "[ ]" 2
52 1 6 VAL N 1 50 LYS O 3.100 2.500 3.300 3.125 3.125 3.125 . 0 0 "[ ]" 2
53 1 13 LEU O 1 40 CYS H 2.100 . 2.300 1.835 1.835 1.835 . 0 0 "[ ]" 2
54 1 13 LEU O 1 40 CYS N 3.100 2.500 3.300 2.786 2.786 2.786 . 0 0 "[ ]" 2
55 1 5 PRO O 1 13 LEU H 2.100 . 2.300 2.053 2.053 2.053 . 0 0 "[ ]" 2
56 1 5 PRO O 1 13 LEU N 3.100 2.500 3.300 2.884 2.884 2.884 . 0 0 "[ ]" 2
57 1 15 CYS H 1 38 MET O 2.100 . 2.300 2.278 2.278 2.278 . 0 0 "[ ]" 2
58 1 15 CYS N 1 38 MET O 3.100 2.500 3.300 3.187 3.187 3.187 . 0 0 "[ ]" 2
59 1 1 LYS QZ 1 49 ALA O 2.100 . 2.300 2.140 2.140 2.140 . 0 0 "[ ]" 2
60 1 1 LYS NZ 1 49 ALA O 3.100 2.500 3.300 3.200 3.200 3.200 . 0 0 "[ ]" 2
61 1 1 LYS QZ 1 47 GLU O 2.100 . 2.300 2.191 2.191 2.191 . 0 0 "[ ]" 2
62 1 1 LYS NZ 1 47 GLU O 3.100 2.500 3.300 3.176 3.176 3.176 . 0 0 "[ ]" 2
63 1 18 ASN OD1 1 35 CYS H 2.100 . 2.300 1.973 1.973 1.973 . 0 0 "[ ]" 2
64 1 18 ASN OD1 1 35 CYS N 3.100 2.500 3.300 2.931 2.931 2.931 . 0 0 "[ ]" 2
65 1 22 ASP OD1 1 33 GLY H 2.100 . 2.300 4.048 4.048 4.048 1.748 1 1 [+] 2
66 1 22 ASP OD1 1 33 GLY N 3.100 2.500 3.300 4.828 4.828 4.828 1.528 1 1 [+] 2
67 1 2 ASP OD1 1 44 GLY H 2.100 . 2.300 2.190 2.190 2.190 . 0 0 "[ ]" 2
68 1 2 ASP OD1 1 44 GLY N 3.100 2.500 3.300 2.793 2.793 2.793 . 0 0 "[ ]" 2
69 1 18 ASN O 1 21 CYS H 2.100 . 2.300 2.590 2.590 2.590 0.290 1 0 "[ ]" 2
70 1 18 ASN O 1 21 CYS N 3.100 2.500 3.300 3.029 3.029 3.029 . 0 0 "[ ]" 2
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