NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
372514 |
1dax   |
cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1dax
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 564
_Distance_constraint_stats_list.Viol_count 63
_Distance_constraint_stats_list.Viol_total 1.685
_Distance_constraint_stats_list.Viol_max 0.176
_Distance_constraint_stats_list.Viol_rms 0.0160
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0030
_Distance_constraint_stats_list.Viol_average_violations_only 0.0267
_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 ARG 0.000 0.000 . 0 "[ ]"
1 3 LYS 0.001 0.001 1 0 "[ ]"
1 4 PHE 0.003 0.001 1 0 "[ ]"
1 5 TYR 0.000 0.000 . 0 "[ ]"
1 6 VAL 0.002 0.002 1 0 "[ ]"
1 7 ASP 0.040 0.015 1 0 "[ ]"
1 8 GLN 0.040 0.018 1 0 "[ ]"
1 9 ASP 0.024 0.018 1 0 "[ ]"
1 10 GLU 0.006 0.006 1 0 "[ ]"
1 11 CYS 0.019 0.018 1 0 "[ ]"
1 12 ILE 0.000 0.000 . 0 "[ ]"
1 14 CYS 0.000 0.000 . 0 "[ ]"
1 15 GLU 0.000 0.000 . 0 "[ ]"
1 16 SER 0.001 0.001 1 0 "[ ]"
1 17 CYS 0.010 0.007 1 0 "[ ]"
1 18 VAL 0.005 0.003 1 0 "[ ]"
1 19 GLU 0.014 0.014 1 0 "[ ]"
1 20 ILE 0.313 0.145 1 0 "[ ]"
1 21 ALA 0.021 0.014 1 0 "[ ]"
1 22 PRO 0.002 0.002 1 0 "[ ]"
1 23 GLY 0.000 0.000 . 0 "[ ]"
1 24 ALA 0.000 0.000 . 0 "[ ]"
1 25 PHE 0.038 0.014 1 0 "[ ]"
1 26 ALA 0.010 0.006 1 0 "[ ]"
1 27 MET 0.000 0.000 . 0 "[ ]"
1 28 ASP 0.173 0.055 1 0 "[ ]"
1 29 PRO 0.060 0.060 1 0 "[ ]"
1 30 GLU 0.095 0.060 1 0 "[ ]"
1 31 ILE 0.042 0.042 1 0 "[ ]"
1 32 GLU 0.064 0.035 1 0 "[ ]"
1 33 LYS 0.101 0.055 1 0 "[ ]"
1 34 ALA 0.000 0.000 . 0 "[ ]"
1 35 TYR 0.024 0.006 1 0 "[ ]"
1 36 VAL 0.000 0.000 . 0 "[ ]"
1 37 LYS 0.182 0.176 1 0 "[ ]"
1 38 ASP 0.180 0.176 1 0 "[ ]"
1 39 VAL 0.000 0.000 . 0 "[ ]"
1 40 GLU 0.000 0.000 . 0 "[ ]"
1 41 GLY 0.000 0.000 . 0 "[ ]"
1 42 ALA 0.000 0.000 . 0 "[ ]"
1 43 SER 0.059 0.027 1 0 "[ ]"
1 44 GLN 0.011 0.011 1 0 "[ ]"
1 45 GLU 0.016 0.013 1 0 "[ ]"
1 46 GLU 0.005 0.005 1 0 "[ ]"
1 47 VAL 0.069 0.027 1 0 "[ ]"
1 48 GLU 0.233 0.149 1 0 "[ ]"
1 49 GLU 0.015 0.013 1 0 "[ ]"
1 50 ALA 0.006 0.006 1 0 "[ ]"
1 51 MET 0.000 0.000 . 0 "[ ]"
1 52 ASP 0.002 0.002 1 0 "[ ]"
1 53 THR 0.000 0.000 . 0 "[ ]"
1 54 CYS 0.022 0.018 1 0 "[ ]"
1 55 PRO 0.000 0.000 . 0 "[ ]"
1 57 GLN 0.001 0.001 1 0 "[ ]"
1 58 CYS 0.004 0.003 1 0 "[ ]"
1 59 ILE 0.003 0.003 1 0 "[ ]"
1 60 HIS 0.000 0.000 . 0 "[ ]"
1 61 TRP 0.073 0.055 1 0 "[ ]"
1 62 GLU 0.001 0.001 1 0 "[ ]"
1 63 ASP 0.000 0.000 . 0 "[ ]"
1 64 GLU 0.000 0.000 . 0 "[ ]"
2 1 SF4 0.383 0.135 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 2 ARG HA 1 3 LYS H 2.700 . 2.900 2.202 2.202 2.202 . 0 0 "[ ]" 1
2 1 3 LYS H 1 3 LYS HA 2.800 . 3.000 2.993 2.993 2.993 . 0 0 "[ ]" 1
3 1 3 LYS H 1 3 LYS HB2 3.300 . 3.500 2.721 2.721 2.721 . 0 0 "[ ]" 1
4 1 3 LYS H 1 3 LYS HB3 2.900 . 3.100 3.037 3.037 3.037 . 0 0 "[ ]" 1
5 1 3 LYS H 1 4 PHE HA 5.000 . 5.200 4.930 4.930 4.930 . 0 0 "[ ]" 1
6 1 3 LYS H 1 62 GLU O 2.300 . 2.500 1.931 1.931 1.931 . 0 0 "[ ]" 1
7 1 3 LYS H 1 63 ASP HA 3.500 . 3.700 2.879 2.879 2.879 . 0 0 "[ ]" 1
8 1 3 LYS HA 1 4 PHE H 2.700 . 2.900 2.901 2.901 2.901 0.001 1 0 "[ ]" 1
9 1 3 LYS HA 1 39 VAL MG1 6.000 . 6.200 4.127 4.127 4.127 . 0 0 "[ ]" 1
10 1 3 LYS HB2 1 4 PHE H 5.000 . 5.200 3.498 3.498 3.498 . 0 0 "[ ]" 1
11 1 3 LYS HB3 1 4 PHE H 3.400 . 3.600 2.160 2.160 2.160 . 0 0 "[ ]" 1
12 1 3 LYS N 1 62 GLU O 3.000 . 3.200 2.693 2.693 2.693 . 0 0 "[ ]" 1
13 1 3 LYS O 1 62 GLU H 2.300 . 2.500 2.050 2.050 2.050 . 0 0 "[ ]" 1
14 1 3 LYS O 1 62 GLU N 3.000 . 3.200 2.982 2.982 2.982 . 0 0 "[ ]" 1
15 1 4 PHE CG 1 5 TYR H 7.000 . 7.200 3.657 3.657 3.657 . 0 0 "[ ]" 1
16 1 4 PHE CG 1 47 VAL MG1 8.000 . 8.200 3.580 3.580 3.580 . 0 0 "[ ]" 1
17 1 4 PHE CG 1 59 ILE QG 8.000 . 8.200 5.036 5.036 5.036 . 0 0 "[ ]" 1
18 1 4 PHE CG 1 62 GLU H 7.000 . 7.200 4.314 4.314 4.314 . 0 0 "[ ]" 1
19 1 4 PHE CZ 1 24 ALA MB 8.000 . 8.200 4.203 4.203 4.203 . 0 0 "[ ]" 1
20 1 4 PHE CZ 1 36 VAL MG2 8.000 . 8.200 3.485 3.485 3.485 . 0 0 "[ ]" 1
21 1 4 PHE CZ 1 39 VAL HA 5.800 . 6.000 2.878 2.878 2.878 . 0 0 "[ ]" 1
22 1 4 PHE CZ 1 39 VAL MG1 8.000 . 8.200 2.846 2.846 2.846 . 0 0 "[ ]" 1
23 1 4 PHE CZ 1 47 VAL MG1 8.000 . 8.200 3.406 3.406 3.406 . 0 0 "[ ]" 1
24 1 4 PHE H 1 5 TYR H 5.000 . 5.200 4.385 4.385 4.385 . 0 0 "[ ]" 1
25 1 4 PHE H 1 5 TYR HB3 5.000 . 5.200 4.044 4.044 4.044 . 0 0 "[ ]" 1
26 1 4 PHE H 1 36 VAL MG2 6.000 . 6.200 5.782 5.782 5.782 . 0 0 "[ ]" 1
27 1 4 PHE H 1 39 VAL MG1 6.000 . 6.200 3.621 3.621 3.621 . 0 0 "[ ]" 1
28 1 4 PHE H 1 61 TRP HA 4.100 . 4.300 4.295 4.295 4.295 . 0 0 "[ ]" 1
29 1 4 PHE H 1 62 GLU HB3 2.300 . 2.500 2.501 2.501 2.501 0.001 1 0 "[ ]" 1
30 1 4 PHE HA 1 4 PHE HB2 2.700 . 2.900 2.479 2.479 2.479 . 0 0 "[ ]" 1
31 1 4 PHE HA 1 4 PHE HB3 2.700 . 2.900 2.459 2.459 2.459 . 0 0 "[ ]" 1
32 1 4 PHE HA 1 5 TYR CG 6.700 . 6.900 4.463 4.463 4.463 . 0 0 "[ ]" 1
33 1 4 PHE HA 1 5 TYR H 2.700 . 2.900 2.577 2.577 2.577 . 0 0 "[ ]" 1
34 1 4 PHE HA 1 5 TYR HB3 5.000 . 5.200 4.289 4.289 4.289 . 0 0 "[ ]" 1
35 1 4 PHE HA 1 51 MET ME 6.000 . 6.200 5.152 5.152 5.152 . 0 0 "[ ]" 1
36 1 4 PHE HA 1 61 TRP HA 2.800 . 3.000 1.799 1.799 1.799 0.001 1 0 "[ ]" 1
37 1 4 PHE HA 1 61 TRP HB3 5.000 . 5.200 3.704 3.704 3.704 . 0 0 "[ ]" 1
38 1 4 PHE HA 1 61 TRP HE3 5.000 . 5.200 4.461 4.461 4.461 . 0 0 "[ ]" 1
39 1 4 PHE HA 1 62 GLU H 3.300 . 3.500 1.844 1.844 1.844 . 0 0 "[ ]" 1
40 1 4 PHE HB2 1 5 TYR H 3.300 . 3.500 2.219 2.219 2.219 . 0 0 "[ ]" 1
41 1 4 PHE HB2 1 51 MET ME 6.000 . 6.200 3.573 3.573 3.573 . 0 0 "[ ]" 1
42 1 4 PHE HB2 1 59 ILE QG 6.000 . 6.200 3.546 3.546 3.546 . 0 0 "[ ]" 1
43 1 4 PHE HB2 1 61 TRP HA 4.400 . 4.600 2.093 2.093 2.093 . 0 0 "[ ]" 1
44 1 4 PHE HB2 1 61 TRP HE3 3.900 . 4.100 4.017 4.017 4.017 . 0 0 "[ ]" 1
45 1 4 PHE HB3 1 5 TYR H 3.900 . 4.100 3.677 3.677 3.677 . 0 0 "[ ]" 1
46 1 4 PHE HB3 1 51 MET ME 6.000 . 6.200 4.418 4.418 4.418 . 0 0 "[ ]" 1
47 1 4 PHE HB3 1 61 TRP HA 3.400 . 3.600 1.967 1.967 1.967 . 0 0 "[ ]" 1
48 1 4 PHE HB3 1 61 TRP HE3 3.300 . 3.500 2.394 2.394 2.394 . 0 0 "[ ]" 1
49 1 4 PHE HB3 1 61 TRP HZ3 5.000 . 5.200 3.991 3.991 3.991 . 0 0 "[ ]" 1
50 1 5 TYR CG 1 6 VAL H 7.000 . 7.200 2.926 2.926 2.926 . 0 0 "[ ]" 1
51 1 5 TYR CG 1 36 VAL MG2 8.000 . 8.200 5.873 5.873 5.873 . 0 0 "[ ]" 1
52 1 5 TYR CG 1 62 GLU H 7.000 . 7.200 5.989 5.989 5.989 . 0 0 "[ ]" 1
53 1 5 TYR CG 1 62 GLU HA 7.000 . 7.200 6.348 6.348 6.348 . 0 0 "[ ]" 1
54 1 5 TYR CZ 1 6 VAL HA 7.000 . 7.200 5.108 5.108 5.108 . 0 0 "[ ]" 1
55 1 5 TYR CZ 1 7 ASP HA 6.700 . 6.900 6.208 6.208 6.208 . 0 0 "[ ]" 1
56 1 5 TYR CZ 1 7 ASP HB2 6.200 . 6.400 5.485 5.485 5.485 . 0 0 "[ ]" 1
57 1 5 TYR CZ 1 60 HIS HB3 6.700 . 6.900 5.228 5.228 5.228 . 0 0 "[ ]" 1
58 1 5 TYR CZ 1 62 GLU HA 6.100 . 6.300 5.687 5.687 5.687 . 0 0 "[ ]" 1
59 1 5 TYR H 1 6 VAL HA 5.000 . 5.200 4.546 4.546 4.546 . 0 0 "[ ]" 1
60 1 5 TYR H 1 6 VAL MG1 6.000 . 6.200 5.053 5.053 5.053 . 0 0 "[ ]" 1
61 1 5 TYR H 1 51 MET ME 6.000 . 6.200 4.180 4.180 4.180 . 0 0 "[ ]" 1
62 1 5 TYR H 1 59 ILE QG 6.000 . 6.200 2.906 2.906 2.906 . 0 0 "[ ]" 1
63 1 5 TYR H 1 60 HIS H 3.200 . 3.400 3.107 3.107 3.107 . 0 0 "[ ]" 1
64 1 5 TYR H 1 60 HIS HB2 5.000 . 5.200 4.777 4.777 4.777 . 0 0 "[ ]" 1
65 1 5 TYR H 1 61 TRP HA 4.900 . 5.100 3.043 3.043 3.043 . 0 0 "[ ]" 1
66 1 5 TYR HA 1 5 TYR HB2 2.900 . 3.100 2.432 2.432 2.432 . 0 0 "[ ]" 1
67 1 5 TYR HA 1 5 TYR HB3 2.900 . 3.100 2.512 2.512 2.512 . 0 0 "[ ]" 1
68 1 5 TYR HA 1 6 VAL H 3.100 . 3.300 2.859 2.859 2.859 . 0 0 "[ ]" 1
69 1 5 TYR HA 1 36 VAL H 4.500 . 4.700 4.050 4.050 4.050 . 0 0 "[ ]" 1
70 1 5 TYR HA 1 36 VAL HB 4.700 . 4.900 2.534 2.534 2.534 . 0 0 "[ ]" 1
71 1 5 TYR HA 1 36 VAL MG2 5.500 . 5.700 2.953 2.953 2.953 . 0 0 "[ ]" 1
72 1 5 TYR HB2 1 6 VAL H 5.000 . 5.200 1.936 1.936 1.936 . 0 0 "[ ]" 1
73 1 5 TYR HB3 1 6 VAL H 3.300 . 3.500 3.489 3.489 3.489 . 0 0 "[ ]" 1
74 1 5 TYR O 1 60 HIS H 2.300 . 2.500 2.133 2.133 2.133 . 0 0 "[ ]" 1
75 1 5 TYR O 1 60 HIS N 3.000 . 3.200 3.027 3.027 3.027 . 0 0 "[ ]" 1
76 1 6 VAL H 1 7 ASP HA 4.800 . 5.000 4.639 4.639 4.639 . 0 0 "[ ]" 1
77 1 6 VAL H 1 35 TYR HA 4.500 . 4.700 4.702 4.702 4.702 0.002 1 0 "[ ]" 1
78 1 6 VAL H 1 36 VAL HA 5.600 . 5.800 5.780 5.780 5.780 . 0 0 "[ ]" 1
79 1 6 VAL H 1 36 VAL HB 3.600 . 3.800 3.493 3.493 3.493 . 0 0 "[ ]" 1
80 1 6 VAL H 1 36 VAL MG2 6.000 . 6.200 4.809 4.809 4.809 . 0 0 "[ ]" 1
81 1 6 VAL HA 1 7 ASP H 3.000 . 3.200 2.515 2.515 2.515 . 0 0 "[ ]" 1
82 1 6 VAL HA 1 59 ILE HA 3.500 . 3.700 1.815 1.815 1.815 . 0 0 "[ ]" 1
83 1 6 VAL HB 1 8 GLN H 3.500 . 3.700 2.640 2.640 2.640 . 0 0 "[ ]" 1
84 1 6 VAL HB 1 8 GLN HE22 4.600 . 4.800 2.528 2.528 2.528 . 0 0 "[ ]" 1
85 1 6 VAL HB 1 35 TYR HA 3.800 . 4.000 3.060 3.060 3.060 . 0 0 "[ ]" 1
86 1 6 VAL HB 1 36 VAL H 5.000 . 5.200 3.376 3.376 3.376 . 0 0 "[ ]" 1
87 1 6 VAL MG1 1 7 ASP H 6.000 . 6.200 2.133 2.133 2.133 . 0 0 "[ ]" 1
88 1 6 VAL MG1 1 7 ASP HA 6.000 . 6.200 4.612 4.612 4.612 . 0 0 "[ ]" 1
89 1 6 VAL MG1 1 9 ASP H 6.000 . 6.200 5.038 5.038 5.038 . 0 0 "[ ]" 1
90 1 6 VAL MG1 1 36 VAL MG2 7.000 . 7.200 4.784 4.784 4.784 . 0 0 "[ ]" 1
91 1 7 ASP H 1 7 ASP HB2 3.800 . 4.000 2.599 2.599 2.599 . 0 0 "[ ]" 1
92 1 7 ASP H 1 7 ASP HB3 3.900 . 4.100 3.213 3.213 3.213 . 0 0 "[ ]" 1
93 1 7 ASP H 1 8 GLN HA 4.500 . 4.700 4.364 4.364 4.364 . 0 0 "[ ]" 1
94 1 7 ASP H 1 58 CYS HB3 4.600 . 4.800 4.473 4.473 4.473 . 0 0 "[ ]" 1
95 1 7 ASP H 1 59 ILE HA 4.000 . 4.200 3.355 3.355 3.355 . 0 0 "[ ]" 1
96 1 7 ASP H 1 60 HIS HE1 4.500 . 4.700 3.939 3.939 3.939 . 0 0 "[ ]" 1
97 1 7 ASP HA 1 7 ASP HB2 3.000 . 3.200 2.797 2.797 2.797 . 0 0 "[ ]" 1
98 1 7 ASP HA 1 8 GLN H 2.700 . 2.900 2.771 2.771 2.771 . 0 0 "[ ]" 1
99 1 7 ASP HA 1 8 GLN HA 4.700 . 4.900 4.915 4.915 4.915 0.015 1 0 "[ ]" 1
100 1 7 ASP HA 1 9 ASP H 3.500 . 3.700 3.168 3.168 3.168 . 0 0 "[ ]" 1
101 1 7 ASP HA 1 25 PHE CZ 7.000 . 7.200 7.214 7.214 7.214 0.014 1 0 "[ ]" 1
102 1 7 ASP HB2 1 8 GLN H 4.300 . 4.500 4.507 4.507 4.507 0.007 1 0 "[ ]" 1
103 1 7 ASP HB2 1 58 CYS HB3 5.000 . 5.200 5.201 5.201 5.201 0.001 1 0 "[ ]" 1
104 1 7 ASP HB2 1 60 HIS HE1 3.400 . 3.600 3.103 3.103 3.103 . 0 0 "[ ]" 1
105 1 7 ASP HB3 1 10 GLU H 4.400 . 4.600 3.357 3.357 3.357 . 0 0 "[ ]" 1
106 1 7 ASP HB3 1 58 CYS HA 5.000 . 5.200 5.203 5.203 5.203 0.003 1 0 "[ ]" 1
107 1 7 ASP HB3 1 58 CYS HB3 5.000 . 5.200 4.678 4.678 4.678 . 0 0 "[ ]" 1
108 1 7 ASP HB3 1 60 HIS HE1 4.100 . 4.300 4.116 4.116 4.116 . 0 0 "[ ]" 1
109 1 8 GLN H 1 8 GLN HB3 3.700 . 3.900 3.798 3.798 3.798 . 0 0 "[ ]" 1
110 1 8 GLN H 1 9 ASP H 3.500 . 3.700 3.084 3.084 3.084 . 0 0 "[ ]" 1
111 1 8 GLN H 1 9 ASP HB2 5.000 . 5.200 5.010 5.010 5.010 . 0 0 "[ ]" 1
112 1 8 GLN HA 1 10 GLU H 4.200 . 4.400 4.040 4.040 4.040 . 0 0 "[ ]" 1
113 1 8 GLN HA 1 11 CYS H 3.400 . 3.600 3.550 3.550 3.550 . 0 0 "[ ]" 1
114 1 8 GLN HA 1 11 CYS HB2 3.000 . 3.200 2.310 2.310 2.310 . 0 0 "[ ]" 1
115 1 8 GLN HA 1 11 CYS HB3 3.000 . 3.200 2.516 2.516 2.516 . 0 0 "[ ]" 1
116 1 8 GLN HA 1 33 LYS HB3 3.700 . 3.900 2.815 2.815 2.815 . 0 0 "[ ]" 1
117 1 8 GLN HB2 1 9 ASP H 5.000 . 5.200 3.529 3.529 3.529 . 0 0 "[ ]" 1
118 1 8 GLN HB3 1 9 ASP H 4.000 . 4.200 4.218 4.218 4.218 0.018 1 0 "[ ]" 1
119 1 8 GLN HB3 1 11 CYS HB2 4.000 . 4.200 4.149 4.149 4.149 . 0 0 "[ ]" 1
120 1 8 GLN HE21 1 35 TYR QB 5.200 . 5.400 3.265 3.265 3.265 . 0 0 "[ ]" 1
121 1 8 GLN HE22 1 35 TYR QB 5.200 . 5.400 2.513 2.513 2.513 . 0 0 "[ ]" 1
122 1 9 ASP H 1 9 ASP HB2 4.000 . 4.200 2.140 2.140 2.140 . 0 0 "[ ]" 1
123 1 9 ASP H 1 9 ASP HB3 3.300 . 3.500 3.099 3.099 3.099 . 0 0 "[ ]" 1
124 1 9 ASP H 1 10 GLU H 2.900 . 3.100 2.696 2.696 2.696 . 0 0 "[ ]" 1
125 1 9 ASP H 1 10 GLU HB3 5.000 . 5.200 5.206 5.206 5.206 0.006 1 0 "[ ]" 1
126 1 9 ASP HA 1 9 ASP HB3 2.900 . 3.100 2.941 2.941 2.941 . 0 0 "[ ]" 1
127 1 9 ASP HB2 1 10 GLU H 5.000 . 5.200 3.361 3.361 3.361 . 0 0 "[ ]" 1
128 1 9 ASP HB3 1 10 GLU H 5.000 . 5.200 2.669 2.669 2.669 . 0 0 "[ ]" 1
129 1 9 ASP HB3 1 10 GLU HA 4.000 . 4.200 4.133 4.133 4.133 . 0 0 "[ ]" 1
130 1 10 GLU H 1 10 GLU HB2 3.800 . 4.000 2.786 2.786 2.786 . 0 0 "[ ]" 1
131 1 10 GLU H 1 10 GLU HG3 5.000 . 5.200 4.449 4.449 4.449 . 0 0 "[ ]" 1
132 1 10 GLU HA 1 10 GLU HB2 2.900 . 3.100 2.534 2.534 2.534 . 0 0 "[ ]" 1
133 1 10 GLU HB2 1 58 CYS HA 4.000 . 4.200 4.200 4.200 4.200 0.000 1 0 "[ ]" 1
134 1 10 GLU HB2 1 58 CYS HB3 5.000 . 5.200 2.832 2.832 2.832 . 0 0 "[ ]" 1
135 1 11 CYS H 1 33 LYS QB 6.000 . 6.200 4.358 4.358 4.358 . 0 0 "[ ]" 1
136 1 11 CYS HB2 1 33 LYS QB 4.000 . 4.200 3.211 3.211 3.211 . 0 0 "[ ]" 1
137 1 11 CYS HB3 1 33 LYS HA 4.000 . 4.200 4.201 4.201 4.201 0.001 1 0 "[ ]" 1
138 1 11 CYS HB3 1 33 LYS QB 3.000 . 3.200 2.342 2.342 2.342 . 0 0 "[ ]" 1
139 1 11 CYS SG 1 14 CYS SG 6.380 . 6.580 6.534 6.534 6.534 . 0 0 "[ ]" 1
140 1 11 CYS SG 1 17 CYS SG 6.380 . 6.580 6.277 6.277 6.277 . 0 0 "[ ]" 1
141 1 11 CYS SG 1 54 CYS SG 6.380 . 6.580 6.598 6.598 6.598 0.018 1 0 "[ ]" 1
142 1 12 ILE QG 1 14 CYS HB3 3.000 . 3.200 2.706 2.706 2.706 . 0 0 "[ ]" 1
143 1 14 CYS HA 1 14 CYS HB2 3.000 . 3.200 2.282 2.282 2.282 . 0 0 "[ ]" 1
144 1 14 CYS HA 1 14 CYS HB3 3.000 . 3.200 2.714 2.714 2.714 . 0 0 "[ ]" 1
145 1 14 CYS SG 1 17 CYS SG 6.380 . 6.580 6.139 6.139 6.139 . 0 0 "[ ]" 1
146 1 14 CYS SG 1 54 CYS SG 6.380 . 6.580 6.038 6.038 6.038 . 0 0 "[ ]" 1
147 1 15 GLU O 1 19 GLU H 2.300 . 2.500 1.801 1.801 1.801 . 0 0 "[ ]" 1
148 1 15 GLU O 1 19 GLU N 3.000 . 3.200 2.750 2.750 2.750 . 0 0 "[ ]" 1
149 1 16 SER O 1 20 ILE H 2.300 . 2.500 2.227 2.227 2.227 . 0 0 "[ ]" 1
150 1 16 SER O 1 20 ILE N 3.000 . 3.200 3.201 3.201 3.201 0.001 1 0 "[ ]" 1
151 1 17 CYS HB2 1 25 PHE CG 4.000 . 4.200 3.742 3.742 3.742 . 0 0 "[ ]" 1
152 1 17 CYS HB2 1 25 PHE CZ 4.500 . 4.700 4.707 4.707 4.707 0.007 1 0 "[ ]" 1
153 1 17 CYS HB2 1 25 PHE HB2 4.000 . 4.200 3.779 3.779 3.779 . 0 0 "[ ]" 1
154 1 17 CYS HB2 1 25 PHE HB3 4.000 . 4.200 3.841 3.841 3.841 . 0 0 "[ ]" 1
155 1 17 CYS HB2 1 50 ALA HA 4.500 . 4.700 4.391 4.391 4.391 . 0 0 "[ ]" 1
156 1 17 CYS HB2 1 50 ALA MB 3.500 . 3.700 2.140 2.140 2.140 . 0 0 "[ ]" 1
157 1 17 CYS O 1 21 ALA H 2.300 . 2.500 2.503 2.503 2.503 0.003 1 0 "[ ]" 1
158 1 17 CYS O 1 21 ALA N 3.000 . 3.200 2.890 2.890 2.890 . 0 0 "[ ]" 1
159 1 17 CYS SG 1 54 CYS SG 6.380 . 6.580 6.430 6.430 6.430 . 0 0 "[ ]" 1
160 1 18 VAL H 1 18 VAL HA 2.900 . 3.100 2.754 2.754 2.754 . 0 0 "[ ]" 1
161 1 18 VAL H 1 18 VAL HB 3.000 . 3.200 2.583 2.583 2.583 . 0 0 "[ ]" 1
162 1 18 VAL HA 1 20 ILE H 4.700 . 4.900 4.902 4.902 4.902 0.002 1 0 "[ ]" 1
163 1 18 VAL HA 1 21 ALA H 3.800 . 4.000 3.872 3.872 3.872 . 0 0 "[ ]" 1
164 1 18 VAL HA 1 25 PHE H 3.900 . 4.100 4.057 4.057 4.057 . 0 0 "[ ]" 1
165 1 18 VAL HA 1 25 PHE HB2 3.100 . 3.300 3.303 3.303 3.303 0.003 1 0 "[ ]" 1
166 1 18 VAL HA 1 25 PHE HB3 3.500 . 3.700 2.353 2.353 2.353 . 0 0 "[ ]" 1
167 1 18 VAL HB 1 19 GLU H 3.800 . 4.000 2.590 2.590 2.590 . 0 0 "[ ]" 1
168 1 18 VAL MG1 1 19 GLU HA 6.000 . 6.200 3.375 3.375 3.375 . 0 0 "[ ]" 1
169 1 18 VAL MG1 1 26 ALA HA 6.000 . 6.200 2.901 2.901 2.901 . 0 0 "[ ]" 1
170 1 18 VAL MG1 1 27 MET H 6.000 . 6.200 3.876 3.876 3.876 . 0 0 "[ ]" 1
171 1 19 GLU H 1 19 GLU HB2 4.000 . 4.200 2.112 2.112 2.112 . 0 0 "[ ]" 1
172 1 19 GLU H 1 19 GLU HB3 4.100 . 4.300 3.407 3.407 3.407 . 0 0 "[ ]" 1
173 1 19 GLU H 1 19 GLU HG2 4.100 . 4.300 3.626 3.626 3.626 . 0 0 "[ ]" 1
174 1 19 GLU H 1 19 GLU HG3 4.900 . 5.100 3.641 3.641 3.641 . 0 0 "[ ]" 1
175 1 19 GLU H 1 20 ILE H 3.600 . 3.800 2.759 2.759 2.759 . 0 0 "[ ]" 1
176 1 19 GLU H 1 21 ALA H 5.000 . 5.200 3.792 3.792 3.792 . 0 0 "[ ]" 1
177 1 19 GLU HA 1 19 GLU HB2 3.000 . 3.200 2.928 2.928 2.928 . 0 0 "[ ]" 1
178 1 19 GLU HA 1 21 ALA H 3.100 . 3.300 3.314 3.314 3.314 0.014 1 0 "[ ]" 1
179 1 19 GLU HB2 1 20 ILE H 5.000 . 5.200 2.795 2.795 2.795 . 0 0 "[ ]" 1
180 1 19 GLU HB3 1 20 ILE H 4.600 . 4.800 2.769 2.769 2.769 . 0 0 "[ ]" 1
181 1 19 GLU HB3 1 20 ILE HA 4.000 . 4.200 3.896 3.896 3.896 . 0 0 "[ ]" 1
182 1 20 ILE H 1 20 ILE HB 3.400 . 3.600 2.392 2.392 2.392 . 0 0 "[ ]" 1
183 1 20 ILE H 1 20 ILE HG12 4.900 . 5.100 3.960 3.960 3.960 . 0 0 "[ ]" 1
184 1 20 ILE H 1 20 ILE HG13 2.800 . 3.000 2.841 2.841 2.841 . 0 0 "[ ]" 1
185 1 20 ILE H 1 21 ALA H 2.900 . 3.100 2.799 2.799 2.799 . 0 0 "[ ]" 1
186 1 20 ILE HA 1 20 ILE HG12 3.000 . 3.200 3.218 3.218 3.218 0.018 1 0 "[ ]" 1
187 1 20 ILE HA 1 20 ILE HG13 3.100 . 3.300 2.194 2.194 2.194 . 0 0 "[ ]" 1
188 1 20 ILE HA 1 21 ALA HA 4.800 . 5.000 4.500 4.500 4.500 . 0 0 "[ ]" 1
189 1 20 ILE HA 1 22 PRO HD2 4.700 . 4.900 4.902 4.902 4.902 0.002 1 0 "[ ]" 1
190 1 20 ILE HB 1 20 ILE HG12 2.400 . 2.600 2.745 2.745 2.745 0.145 1 0 "[ ]" 1
191 1 20 ILE HB 1 20 ILE HG13 2.500 . 2.700 2.839 2.839 2.839 0.139 1 0 "[ ]" 1
192 1 20 ILE HB 1 21 ALA H 5.000 . 5.200 3.703 3.703 3.703 . 0 0 "[ ]" 1
193 1 20 ILE QG 1 21 ALA H 6.000 . 6.200 4.517 4.517 4.517 . 0 0 "[ ]" 1
194 1 20 ILE QG 1 46 GLU HA 6.000 . 6.200 4.870 4.870 4.870 . 0 0 "[ ]" 1
195 1 20 ILE QG 1 50 ALA H 6.000 . 6.200 3.600 3.600 3.600 . 0 0 "[ ]" 1
196 1 20 ILE QG 1 50 ALA HA 6.000 . 6.200 2.791 2.791 2.791 . 0 0 "[ ]" 1
197 1 20 ILE QG 1 53 THR H 6.000 . 6.200 5.159 5.159 5.159 . 0 0 "[ ]" 1
198 1 20 ILE QG 1 53 THR HB 6.000 . 6.200 4.436 4.436 4.436 . 0 0 "[ ]" 1
199 1 20 ILE HG13 1 50 ALA HA 3.700 . 3.900 3.906 3.906 3.906 0.006 1 0 "[ ]" 1
200 1 21 ALA H 1 22 PRO HA 4.200 . 4.400 4.054 4.054 4.054 . 0 0 "[ ]" 1
201 1 21 ALA H 1 22 PRO HD2 4.100 . 4.300 3.362 3.362 3.362 . 0 0 "[ ]" 1
202 1 21 ALA H 1 22 PRO HD3 4.200 . 4.400 2.188 2.188 2.188 . 0 0 "[ ]" 1
203 1 21 ALA H 1 25 PHE CG 7.000 . 7.200 6.960 6.960 6.960 . 0 0 "[ ]" 1
204 1 21 ALA H 1 50 ALA MB 6.000 . 6.200 3.708 3.708 3.708 . 0 0 "[ ]" 1
205 1 21 ALA HA 1 22 PRO HD2 3.500 . 3.700 2.242 2.242 2.242 . 0 0 "[ ]" 1
206 1 21 ALA HA 1 22 PRO HD3 2.800 . 3.000 2.928 2.928 2.928 . 0 0 "[ ]" 1
207 1 21 ALA HA 1 24 ALA MB 6.000 . 6.200 4.615 4.615 4.615 . 0 0 "[ ]" 1
208 1 21 ALA HA 1 42 ALA MB 6.000 . 6.200 2.771 2.771 2.771 . 0 0 "[ ]" 1
209 1 21 ALA MB 1 23 GLY H 6.000 . 6.200 3.090 3.090 3.090 . 0 0 "[ ]" 1
210 1 21 ALA MB 1 24 ALA H 6.000 . 6.200 2.704 2.704 2.704 . 0 0 "[ ]" 1
211 1 21 ALA MB 1 25 PHE CG 8.000 . 8.200 4.299 4.299 4.299 . 0 0 "[ ]" 1
212 1 21 ALA MB 1 25 PHE CZ 8.000 . 8.200 6.253 6.253 6.253 . 0 0 "[ ]" 1
213 1 21 ALA MB 1 25 PHE H 6.000 . 6.200 2.628 2.628 2.628 . 0 0 "[ ]" 1
214 1 21 ALA MB 1 42 ALA HA 6.000 . 6.200 3.269 3.269 3.269 . 0 0 "[ ]" 1
215 1 21 ALA MB 1 46 GLU HA 6.000 . 6.200 4.704 4.704 4.704 . 0 0 "[ ]" 1
216 1 21 ALA MB 1 47 VAL H 6.000 . 6.200 3.624 3.624 3.624 . 0 0 "[ ]" 1
217 1 21 ALA MB 1 47 VAL HA 6.000 . 6.200 2.568 2.568 2.568 . 0 0 "[ ]" 1
218 1 21 ALA MB 1 50 ALA H 6.000 . 6.200 4.404 4.404 4.404 . 0 0 "[ ]" 1
219 1 21 ALA O 1 25 PHE H 2.300 . 2.500 2.347 2.347 2.347 . 0 0 "[ ]" 1
220 1 21 ALA O 1 25 PHE N 3.000 . 3.200 3.203 3.203 3.203 0.003 1 0 "[ ]" 1
221 1 22 PRO HA 1 25 PHE H 5.000 . 5.200 4.558 4.558 4.558 . 0 0 "[ ]" 1
222 1 22 PRO HD3 1 23 GLY H 5.000 . 5.200 4.400 4.400 4.400 . 0 0 "[ ]" 1
223 1 23 GLY H 1 24 ALA H 3.500 . 3.700 1.806 1.806 1.806 . 0 0 "[ ]" 1
224 1 23 GLY H 1 25 PHE H 3.700 . 3.900 3.085 3.085 3.085 . 0 0 "[ ]" 1
225 1 23 GLY H 1 41 GLY HA3 5.000 . 5.200 3.883 3.883 3.883 . 0 0 "[ ]" 1
226 1 23 GLY H 1 42 ALA MB 6.000 . 6.200 3.838 3.838 3.838 . 0 0 "[ ]" 1
227 1 23 GLY HA3 1 25 PHE H 5.000 . 5.200 4.997 4.997 4.997 . 0 0 "[ ]" 1
228 1 24 ALA H 1 25 PHE HA 5.000 . 5.200 4.962 4.962 4.962 . 0 0 "[ ]" 1
229 1 24 ALA H 1 25 PHE HB2 5.000 . 5.200 4.324 4.324 4.324 . 0 0 "[ ]" 1
230 1 24 ALA H 1 41 GLY HA2 4.500 . 4.700 4.434 4.434 4.434 . 0 0 "[ ]" 1
231 1 24 ALA H 1 41 GLY HA3 3.700 . 3.900 2.952 2.952 2.952 . 0 0 "[ ]" 1
232 1 24 ALA H 1 42 ALA MB 6.000 . 6.200 2.871 2.871 2.871 . 0 0 "[ ]" 1
233 1 24 ALA HA 1 37 LYS QG 5.800 . 6.000 3.269 3.269 3.269 . 0 0 "[ ]" 1
234 1 24 ALA HA 1 38 ASP H 3.500 . 3.700 2.203 2.203 2.203 . 0 0 "[ ]" 1
235 1 24 ALA HA 1 41 GLY H 4.800 . 5.000 3.445 3.445 3.445 . 0 0 "[ ]" 1
236 1 24 ALA HA 1 41 GLY HA3 4.500 . 4.700 3.238 3.238 3.238 . 0 0 "[ ]" 1
237 1 24 ALA MB 1 25 PHE CG 8.000 . 8.200 4.647 4.647 4.647 . 0 0 "[ ]" 1
238 1 24 ALA MB 1 36 VAL MG2 7.000 . 7.200 2.001 2.001 2.001 . 0 0 "[ ]" 1
239 1 24 ALA MB 1 38 ASP H 6.000 . 6.200 3.337 3.337 3.337 . 0 0 "[ ]" 1
240 1 24 ALA MB 1 39 VAL HA 6.000 . 6.200 2.508 2.508 2.508 . 0 0 "[ ]" 1
241 1 24 ALA MB 1 41 GLY H 6.000 . 6.200 2.696 2.696 2.696 . 0 0 "[ ]" 1
242 1 24 ALA MB 1 41 GLY HA3 6.000 . 6.200 2.900 2.900 2.900 . 0 0 "[ ]" 1
243 1 24 ALA MB 1 42 ALA H 6.000 . 6.200 2.060 2.060 2.060 . 0 0 "[ ]" 1
244 1 24 ALA MB 1 47 VAL MG1 7.000 . 7.200 4.546 4.546 4.546 . 0 0 "[ ]" 1
245 1 25 PHE CG 1 36 VAL HA 7.000 . 7.200 3.733 3.733 3.733 . 0 0 "[ ]" 1
246 1 25 PHE CG 1 36 VAL MG2 8.000 . 8.200 3.484 3.484 3.484 . 0 0 "[ ]" 1
247 1 25 PHE CZ 1 47 VAL MG1 8.000 . 8.200 6.668 6.668 6.668 . 0 0 "[ ]" 1
248 1 25 PHE CZ 1 59 ILE QG 8.000 . 8.200 4.195 4.195 4.195 . 0 0 "[ ]" 1
249 1 25 PHE H 1 25 PHE HB2 3.800 . 4.000 2.234 2.234 2.234 . 0 0 "[ ]" 1
250 1 25 PHE HA 1 26 ALA H 2.700 . 2.900 2.246 2.246 2.246 . 0 0 "[ ]" 1
251 1 25 PHE HA 1 26 ALA HA 5.000 . 5.200 4.537 4.537 4.537 . 0 0 "[ ]" 1
252 1 25 PHE HA 1 26 ALA MB 6.000 . 6.200 3.942 3.942 3.942 . 0 0 "[ ]" 1
253 1 25 PHE HA 1 35 TYR H 3.300 . 3.500 3.506 3.506 3.506 0.006 1 0 "[ ]" 1
254 1 25 PHE HA 1 36 VAL HA 2.900 . 3.100 2.322 2.322 2.322 . 0 0 "[ ]" 1
255 1 25 PHE HA 1 36 VAL MG2 6.000 . 6.200 3.351 3.351 3.351 . 0 0 "[ ]" 1
256 1 25 PHE HA 1 37 LYS H 3.200 . 3.400 3.406 3.406 3.406 0.006 1 0 "[ ]" 1
257 1 25 PHE HA 1 38 ASP H 4.500 . 4.700 4.676 4.676 4.676 . 0 0 "[ ]" 1
258 1 25 PHE HB2 1 26 ALA H 5.000 . 5.200 4.368 4.368 4.368 . 0 0 "[ ]" 1
259 1 25 PHE HB3 1 26 ALA H 3.300 . 3.500 3.362 3.362 3.362 . 0 0 "[ ]" 1
260 1 25 PHE HB3 1 35 TYR H 5.000 . 5.200 4.773 4.773 4.773 . 0 0 "[ ]" 1
261 1 26 ALA H 1 27 MET H 4.500 . 4.700 3.776 3.776 3.776 . 0 0 "[ ]" 1
262 1 26 ALA H 1 35 TYR H 3.300 . 3.500 1.794 1.794 1.794 0.006 1 0 "[ ]" 1
263 1 26 ALA H 1 35 TYR O 2.300 . 2.500 2.487 2.487 2.487 . 0 0 "[ ]" 1
264 1 26 ALA H 1 36 VAL HA 4.100 . 4.300 4.151 4.151 4.151 . 0 0 "[ ]" 1
265 1 26 ALA H 1 37 LYS HG2 4.600 . 4.800 4.664 4.664 4.664 . 0 0 "[ ]" 1
266 1 26 ALA HA 1 27 MET H 3.100 . 3.300 2.200 2.200 2.200 . 0 0 "[ ]" 1
267 1 26 ALA HA 1 35 TYR H 5.000 . 5.200 3.970 3.970 3.970 . 0 0 "[ ]" 1
268 1 26 ALA MB 1 27 MET HA 6.000 . 6.200 4.552 4.552 4.552 . 0 0 "[ ]" 1
269 1 26 ALA MB 1 35 TYR CZ 8.000 . 8.200 3.655 3.655 3.655 . 0 0 "[ ]" 1
270 1 26 ALA MB 1 35 TYR H 6.000 . 6.200 3.673 3.673 3.673 . 0 0 "[ ]" 1
271 1 26 ALA N 1 35 TYR O 3.000 . 3.200 3.201 3.201 3.201 0.001 1 0 "[ ]" 1
272 1 26 ALA O 1 35 TYR H 2.300 . 2.500 2.330 2.330 2.330 . 0 0 "[ ]" 1
273 1 26 ALA O 1 35 TYR N 3.000 . 3.200 3.203 3.203 3.203 0.003 1 0 "[ ]" 1
274 1 27 MET H 1 35 TYR CZ 7.000 . 7.200 6.898 6.898 6.898 . 0 0 "[ ]" 1
275 1 27 MET HA 1 28 ASP H 3.000 . 3.200 2.306 2.306 2.306 . 0 0 "[ ]" 1
276 1 27 MET HA 1 34 ALA HA 3.500 . 3.700 1.822 1.822 1.822 . 0 0 "[ ]" 1
277 1 27 MET HA 1 35 TYR CG 7.000 . 7.200 4.909 4.909 4.909 . 0 0 "[ ]" 1
278 1 27 MET HA 1 35 TYR H 5.000 . 5.200 3.198 3.198 3.198 . 0 0 "[ ]" 1
279 1 27 MET QB 1 34 ALA HA 6.000 . 6.200 2.739 2.739 2.739 . 0 0 "[ ]" 1
280 1 27 MET HB2 1 28 ASP H 5.000 . 5.200 2.892 2.892 2.892 . 0 0 "[ ]" 1
281 1 27 MET HB3 1 28 ASP H 5.000 . 5.200 3.911 3.911 3.911 . 0 0 "[ ]" 1
282 1 27 MET HB3 1 33 LYS H 5.000 . 5.200 3.961 3.961 3.961 . 0 0 "[ ]" 1
283 1 28 ASP H 1 28 ASP HB2 3.400 . 3.600 2.974 2.974 2.974 . 0 0 "[ ]" 1
284 1 28 ASP H 1 28 ASP HB3 3.300 . 3.500 2.804 2.804 2.804 . 0 0 "[ ]" 1
285 1 28 ASP H 1 31 ILE H 4.600 . 4.800 3.736 3.736 3.736 . 0 0 "[ ]" 1
286 1 28 ASP H 1 31 ILE HA 5.000 . 5.200 5.242 5.242 5.242 0.042 1 0 "[ ]" 1
287 1 28 ASP H 1 31 ILE HG12 5.000 . 5.200 3.565 3.565 3.565 . 0 0 "[ ]" 1
288 1 28 ASP H 1 32 GLU H 4.600 . 4.800 3.933 3.933 3.933 . 0 0 "[ ]" 1
289 1 28 ASP H 1 32 GLU HA 3.300 . 3.500 3.529 3.529 3.529 0.029 1 0 "[ ]" 1
290 1 28 ASP H 1 33 LYS H 4.000 . 4.200 1.763 1.763 1.763 0.037 1 0 "[ ]" 1
291 1 28 ASP H 1 33 LYS O 2.300 . 2.500 1.994 1.994 1.994 . 0 0 "[ ]" 1
292 1 28 ASP H 1 34 ALA HA 4.600 . 4.800 4.089 4.089 4.089 . 0 0 "[ ]" 1
293 1 28 ASP H 1 35 TYR CG 7.000 . 7.200 5.334 5.334 5.334 . 0 0 "[ ]" 1
294 1 28 ASP H 1 35 TYR CZ 7.000 . 7.200 6.082 6.082 6.082 . 0 0 "[ ]" 1
295 1 28 ASP HA 1 28 ASP HB2 3.000 . 3.200 2.567 2.567 2.567 . 0 0 "[ ]" 1
296 1 28 ASP HA 1 29 PRO HA 4.500 . 4.700 4.397 4.397 4.397 . 0 0 "[ ]" 1
297 1 28 ASP HA 1 29 PRO HD2 3.100 . 3.300 3.083 3.083 3.083 . 0 0 "[ ]" 1
298 1 28 ASP HA 1 29 PRO HD3 3.000 . 3.200 2.215 2.215 2.215 . 0 0 "[ ]" 1
299 1 28 ASP HA 1 30 GLU H 5.000 . 5.200 4.235 4.235 4.235 . 0 0 "[ ]" 1
300 1 28 ASP HA 1 31 ILE H 5.000 . 5.200 4.578 4.578 4.578 . 0 0 "[ ]" 1
301 1 28 ASP HA 1 35 TYR CG 7.000 . 7.200 6.618 6.618 6.618 . 0 0 "[ ]" 1
302 1 28 ASP HA 1 35 TYR CZ 5.800 . 6.000 6.002 6.002 6.002 0.002 1 0 "[ ]" 1
303 1 28 ASP HB2 1 31 ILE H 4.700 . 4.900 3.881 3.881 3.881 . 0 0 "[ ]" 1
304 1 28 ASP HB2 1 33 LYS H 5.000 . 5.200 4.534 4.534 4.534 . 0 0 "[ ]" 1
305 1 28 ASP HB2 1 35 TYR CG 5.900 . 6.100 4.387 4.387 4.387 . 0 0 "[ ]" 1
306 1 28 ASP HB2 1 35 TYR H 5.000 . 5.200 5.199 5.199 5.199 . 0 0 "[ ]" 1
307 1 28 ASP HB3 1 30 GLU H 5.000 . 5.200 2.848 2.848 2.848 . 0 0 "[ ]" 1
308 1 28 ASP HB3 1 31 ILE H 5.000 . 5.200 2.124 2.124 2.124 . 0 0 "[ ]" 1
309 1 28 ASP HB3 1 32 GLU H 4.800 . 5.000 3.721 3.721 3.721 . 0 0 "[ ]" 1
310 1 28 ASP HB3 1 32 GLU HA 5.000 . 5.200 4.693 4.693 4.693 . 0 0 "[ ]" 1
311 1 28 ASP HB3 1 33 LYS H 3.600 . 3.800 3.808 3.808 3.808 0.008 1 0 "[ ]" 1
312 1 28 ASP N 1 33 LYS O 3.000 . 3.200 2.628 2.628 2.628 . 0 0 "[ ]" 1
313 1 28 ASP O 1 33 LYS H 2.300 . 2.500 2.555 2.555 2.555 0.055 1 0 "[ ]" 1
314 1 28 ASP O 1 33 LYS N 3.000 . 3.200 3.093 3.093 3.093 . 0 0 "[ ]" 1
315 1 29 PRO HA 1 32 GLU H 4.600 . 4.800 3.054 3.054 3.054 . 0 0 "[ ]" 1
316 1 29 PRO HD2 1 30 GLU H 4.600 . 4.800 1.911 1.911 1.911 . 0 0 "[ ]" 1
317 1 29 PRO HD3 1 30 GLU H 3.100 . 3.300 3.360 3.360 3.360 0.060 1 0 "[ ]" 1
318 1 30 GLU H 1 30 GLU HB2 2.900 . 3.100 2.241 2.241 2.241 . 0 0 "[ ]" 1
319 1 30 GLU H 1 31 ILE H 3.800 . 4.000 2.388 2.388 2.388 . 0 0 "[ ]" 1
320 1 30 GLU H 1 31 ILE QG 6.000 . 6.200 3.494 3.494 3.494 . 0 0 "[ ]" 1
321 1 30 GLU H 1 32 GLU H 4.100 . 4.300 3.350 3.350 3.350 . 0 0 "[ ]" 1
322 1 30 GLU H 1 32 GLU HA 4.600 . 4.800 4.835 4.835 4.835 0.035 1 0 "[ ]" 1
323 1 30 GLU HA 1 30 GLU HB2 2.600 . 2.800 2.739 2.739 2.739 . 0 0 "[ ]" 1
324 1 30 GLU HA 1 32 GLU H 4.100 . 4.300 3.905 3.905 3.905 . 0 0 "[ ]" 1
325 1 30 GLU HA 1 32 GLU QG 6.000 . 6.200 4.318 4.318 4.318 . 0 0 "[ ]" 1
326 1 30 GLU HB2 1 31 ILE H 3.300 . 3.500 3.407 3.407 3.407 . 0 0 "[ ]" 1
327 1 30 GLU HB3 1 31 ILE H 4.000 . 4.200 2.719 2.719 2.719 . 0 0 "[ ]" 1
328 1 31 ILE H 1 31 ILE HG12 3.200 . 3.400 1.894 1.894 1.894 . 0 0 "[ ]" 1
329 1 31 ILE H 1 31 ILE HG13 4.300 . 4.500 2.476 2.476 2.476 . 0 0 "[ ]" 1
330 1 31 ILE H 1 32 GLU H 2.800 . 3.000 2.227 2.227 2.227 . 0 0 "[ ]" 1
331 1 31 ILE H 1 32 GLU HA 4.500 . 4.700 4.180 4.180 4.180 . 0 0 "[ ]" 1
332 1 31 ILE HA 1 32 GLU HB2 4.600 . 4.800 4.320 4.320 4.320 . 0 0 "[ ]" 1
333 1 31 ILE HB 1 32 GLU H 4.500 . 4.700 4.285 4.285 4.285 . 0 0 "[ ]" 1
334 1 31 ILE HB 1 33 LYS H 4.800 . 5.000 3.316 3.316 3.316 . 0 0 "[ ]" 1
335 1 31 ILE QG 1 32 GLU H 6.000 . 6.200 3.267 3.267 3.267 . 0 0 "[ ]" 1
336 1 31 ILE QG 1 33 LYS H 6.000 . 6.200 2.355 2.355 2.355 . 0 0 "[ ]" 1
337 1 31 ILE HG12 1 32 GLU H 4.900 . 5.100 3.881 3.881 3.881 . 0 0 "[ ]" 1
338 1 31 ILE HG12 1 33 LYS H 3.800 . 4.000 4.000 4.000 4.000 . 0 0 "[ ]" 1
339 1 31 ILE HG13 1 33 LYS H 3.800 . 4.000 2.371 2.371 2.371 . 0 0 "[ ]" 1
340 1 32 GLU H 1 32 GLU HA 2.600 . 2.800 2.436 2.436 2.436 . 0 0 "[ ]" 1
341 1 32 GLU H 1 33 LYS H 3.100 . 3.300 3.205 3.205 3.205 . 0 0 "[ ]" 1
342 1 32 GLU HA 1 33 LYS H 2.900 . 3.100 2.771 2.771 2.771 . 0 0 "[ ]" 1
343 1 34 ALA H 2 1 SF4 FE1 4.000 . 4.200 3.690 3.690 3.690 . 0 0 "[ ]" 1
344 1 35 TYR CG 1 36 VAL H 7.000 . 7.200 4.241 4.241 4.241 . 0 0 "[ ]" 1
345 1 35 TYR CG 1 36 VAL MG2 8.000 . 8.200 6.277 6.277 6.277 . 0 0 "[ ]" 1
346 1 35 TYR CG 1 37 LYS HA 6.000 . 6.200 4.801 4.801 4.801 . 0 0 "[ ]" 1
347 1 35 TYR CZ 1 35 TYR H 6.000 . 6.200 4.607 4.607 4.607 . 0 0 "[ ]" 1
348 1 35 TYR CZ 1 36 VAL HA 7.000 . 7.200 6.148 6.148 6.148 . 0 0 "[ ]" 1
349 1 35 TYR CZ 1 37 LYS HA 5.200 . 5.400 4.802 4.802 4.802 . 0 0 "[ ]" 1
350 1 35 TYR CZ 1 38 ASP HB2 6.600 . 6.800 6.801 6.801 6.801 0.001 1 0 "[ ]" 1
351 1 35 TYR CZ 1 38 ASP HB3 7.000 . 7.200 7.203 7.203 7.203 0.003 1 0 "[ ]" 1
352 1 35 TYR H 1 36 VAL HA 5.000 . 5.200 4.778 4.778 4.778 . 0 0 "[ ]" 1
353 1 35 TYR HA 1 36 VAL H 3.200 . 3.400 2.239 2.239 2.239 . 0 0 "[ ]" 1
354 1 35 TYR HA 1 36 VAL HB 5.000 . 5.200 4.258 4.258 4.258 . 0 0 "[ ]" 1
355 1 36 VAL H 1 36 VAL HB 3.000 . 3.200 2.209 2.209 2.209 . 0 0 "[ ]" 1
356 1 36 VAL HA 1 37 LYS H 2.600 . 2.800 2.412 2.412 2.412 . 0 0 "[ ]" 1
357 1 36 VAL HA 1 38 ASP H 4.200 . 4.400 3.569 3.569 3.569 . 0 0 "[ ]" 1
358 1 36 VAL HB 1 37 LYS H 5.000 . 5.200 4.694 4.694 4.694 . 0 0 "[ ]" 1
359 1 36 VAL MG2 1 37 LYS H 6.000 . 6.200 3.889 3.889 3.889 . 0 0 "[ ]" 1
360 1 36 VAL MG2 1 38 ASP H 6.000 . 6.200 3.909 3.909 3.909 . 0 0 "[ ]" 1
361 1 36 VAL MG2 1 39 VAL H 6.000 . 6.200 4.424 4.424 4.424 . 0 0 "[ ]" 1
362 1 36 VAL MG2 1 39 VAL HA 6.000 . 6.200 2.877 2.877 2.877 . 0 0 "[ ]" 1
363 1 36 VAL MG2 1 39 VAL HB 6.000 . 6.200 4.584 4.584 4.584 . 0 0 "[ ]" 1
364 1 37 LYS H 1 38 ASP H 2.800 . 3.000 2.405 2.405 2.405 . 0 0 "[ ]" 1
365 1 37 LYS HA 1 37 LYS HB2 3.000 . 3.200 2.465 2.465 2.465 . 0 0 "[ ]" 1
366 1 37 LYS HB2 1 38 ASP H 4.400 . 4.600 3.796 3.796 3.796 . 0 0 "[ ]" 1
367 1 37 LYS HB3 1 38 ASP H 4.500 . 4.700 3.953 3.953 3.953 . 0 0 "[ ]" 1
368 1 37 LYS QG 1 38 ASP H 6.000 . 6.200 1.624 1.624 1.624 0.176 1 0 "[ ]" 1
369 1 38 ASP H 1 39 VAL H 5.000 . 5.200 4.082 4.082 4.082 . 0 0 "[ ]" 1
370 1 38 ASP H 1 39 VAL HA 5.000 . 5.200 4.815 4.815 4.815 . 0 0 "[ ]" 1
371 1 38 ASP H 1 39 VAL MG1 6.000 . 6.200 4.689 4.689 4.689 . 0 0 "[ ]" 1
372 1 38 ASP H 1 41 GLY HA3 5.000 . 5.200 5.193 5.193 5.193 . 0 0 "[ ]" 1
373 1 38 ASP HA 1 39 VAL H 2.800 . 3.000 2.252 2.252 2.252 . 0 0 "[ ]" 1
374 1 38 ASP HA 1 39 VAL HA 5.000 . 5.200 4.537 4.537 4.537 . 0 0 "[ ]" 1
375 1 38 ASP HA 1 40 GLU H 4.100 . 4.300 3.402 3.402 3.402 . 0 0 "[ ]" 1
376 1 38 ASP HB2 1 41 GLY H 4.200 . 4.400 4.255 4.255 4.255 . 0 0 "[ ]" 1
377 1 38 ASP HB3 1 41 GLY H 3.600 . 3.800 3.160 3.160 3.160 . 0 0 "[ ]" 1
378 1 38 ASP HB3 1 41 GLY HA3 3.100 . 3.300 3.003 3.003 3.003 . 0 0 "[ ]" 1
379 1 39 VAL H 1 39 VAL HB 4.000 . 4.200 3.618 3.618 3.618 . 0 0 "[ ]" 1
380 1 39 VAL H 1 40 GLU H 3.000 . 3.200 2.586 2.586 2.586 . 0 0 "[ ]" 1
381 1 39 VAL HA 1 39 VAL HB 3.000 . 3.200 2.499 2.499 2.499 . 0 0 "[ ]" 1
382 1 39 VAL HA 1 40 GLU H 3.500 . 3.700 3.481 3.481 3.481 . 0 0 "[ ]" 1
383 1 39 VAL HA 1 41 GLY H 4.700 . 4.900 3.845 3.845 3.845 . 0 0 "[ ]" 1
384 1 39 VAL HB 1 40 GLU H 4.000 . 4.200 3.937 3.937 3.937 . 0 0 "[ ]" 1
385 1 39 VAL MG1 1 40 GLU H 6.000 . 6.200 4.029 4.029 4.029 . 0 0 "[ ]" 1
386 1 40 GLU H 1 40 GLU HG3 5.000 . 5.200 2.844 2.844 2.844 . 0 0 "[ ]" 1
387 1 40 GLU H 1 41 GLY H 3.100 . 3.300 2.399 2.399 2.399 . 0 0 "[ ]" 1
388 1 40 GLU H 1 41 GLY HA3 5.000 . 5.200 4.713 4.713 4.713 . 0 0 "[ ]" 1
389 1 40 GLU H 1 42 ALA H 5.000 . 5.200 4.214 4.214 4.214 . 0 0 "[ ]" 1
390 1 40 GLU HA 1 40 GLU HB3 2.700 . 2.900 2.616 2.616 2.616 . 0 0 "[ ]" 1
391 1 40 GLU HA 1 40 GLU HG2 3.300 . 3.500 2.370 2.370 2.370 . 0 0 "[ ]" 1
392 1 40 GLU HA 1 40 GLU HG3 4.000 . 4.200 2.773 2.773 2.773 . 0 0 "[ ]" 1
393 1 40 GLU HA 1 42 ALA H 3.600 . 3.800 3.695 3.695 3.695 . 0 0 "[ ]" 1
394 1 40 GLU HB2 1 41 GLY H 5.000 . 5.200 3.286 3.286 3.286 . 0 0 "[ ]" 1
395 1 41 GLY H 1 42 ALA H 5.000 . 5.200 2.544 2.544 2.544 . 0 0 "[ ]" 1
396 1 42 ALA HA 1 43 SER H 3.000 . 3.200 2.190 2.190 2.190 . 0 0 "[ ]" 1
397 1 42 ALA MB 1 43 SER HA 6.000 . 6.200 4.413 4.413 4.413 . 0 0 "[ ]" 1
398 1 42 ALA MB 1 46 GLU H 6.000 . 6.200 4.660 4.660 4.660 . 0 0 "[ ]" 1
399 1 42 ALA MB 1 47 VAL H 6.000 . 6.200 2.455 2.455 2.455 . 0 0 "[ ]" 1
400 1 42 ALA MB 1 47 VAL HA 6.000 . 6.200 2.430 2.430 2.430 . 0 0 "[ ]" 1
401 1 42 ALA MB 1 47 VAL MG1 6.400 . 6.600 3.469 3.469 3.469 . 0 0 "[ ]" 1
402 1 43 SER H 1 43 SER HB3 3.200 . 3.400 3.403 3.403 3.403 0.003 1 0 "[ ]" 1
403 1 43 SER H 1 44 GLN H 5.000 . 5.200 4.668 4.668 4.668 . 0 0 "[ ]" 1
404 1 43 SER H 1 46 GLU H 4.400 . 4.600 3.599 3.599 3.599 . 0 0 "[ ]" 1
405 1 43 SER H 1 46 GLU QB 4.700 . 4.900 2.213 2.213 2.213 . 0 0 "[ ]" 1
406 1 43 SER H 1 46 GLU HG3 4.000 . 4.200 2.808 2.808 2.808 . 0 0 "[ ]" 1
407 1 43 SER HB2 1 44 GLN H 3.200 . 3.400 2.959 2.959 2.959 . 0 0 "[ ]" 1
408 1 43 SER HB2 1 46 GLU H 3.100 . 3.300 2.627 2.627 2.627 . 0 0 "[ ]" 1
409 1 43 SER HB3 1 44 GLN H 4.000 . 4.200 3.089 3.089 3.089 . 0 0 "[ ]" 1
410 1 43 SER HB3 1 45 GLU H 3.800 . 4.000 4.003 4.003 4.003 0.003 1 0 "[ ]" 1
411 1 43 SER O 1 47 VAL H 2.300 . 2.500 1.773 1.773 1.773 0.027 1 0 "[ ]" 1
412 1 43 SER O 1 47 VAL N 2.300 . 2.500 2.526 2.526 2.526 0.026 1 0 "[ ]" 1
413 1 44 GLN H 1 45 GLU H 3.300 . 3.500 2.908 2.908 2.908 . 0 0 "[ ]" 1
414 1 44 GLN H 1 45 GLU HG2 4.800 . 5.000 4.763 4.763 4.763 . 0 0 "[ ]" 1
415 1 44 GLN HA 1 46 GLU H 4.400 . 4.600 4.455 4.455 4.455 . 0 0 "[ ]" 1
416 1 44 GLN HA 1 47 VAL H 3.900 . 4.100 4.111 4.111 4.111 0.011 1 0 "[ ]" 1
417 1 44 GLN HA 1 47 VAL HB 3.100 . 3.300 3.102 3.102 3.102 . 0 0 "[ ]" 1
418 1 44 GLN HA 1 47 VAL MG1 6.000 . 6.200 2.858 2.858 2.858 . 0 0 "[ ]" 1
419 1 44 GLN HA 1 48 GLU H 4.600 . 4.800 3.367 3.367 3.367 . 0 0 "[ ]" 1
420 1 44 GLN HA 1 61 TRP HH2 4.900 . 5.100 2.241 2.241 2.241 . 0 0 "[ ]" 1
421 1 44 GLN QG 1 61 TRP HH2 6.000 . 6.200 2.563 2.563 2.563 . 0 0 "[ ]" 1
422 1 44 GLN O 1 48 GLU H 2.300 . 2.500 2.000 2.000 2.000 . 0 0 "[ ]" 1
423 1 44 GLN O 1 48 GLU N 3.000 . 3.200 2.852 2.852 2.852 . 0 0 "[ ]" 1
424 1 45 GLU H 1 45 GLU HB2 4.000 . 4.200 2.442 2.442 2.442 . 0 0 "[ ]" 1
425 1 45 GLU H 1 45 GLU HB3 3.800 . 4.000 3.616 3.616 3.616 . 0 0 "[ ]" 1
426 1 45 GLU H 1 45 GLU HG2 4.100 . 4.300 2.259 2.259 2.259 . 0 0 "[ ]" 1
427 1 45 GLU H 1 45 GLU HG3 4.800 . 5.000 3.586 3.586 3.586 . 0 0 "[ ]" 1
428 1 45 GLU H 1 46 GLU H 3.400 . 3.600 2.658 2.658 2.658 . 0 0 "[ ]" 1
429 1 45 GLU HA 1 46 GLU H 3.400 . 3.600 3.554 3.554 3.554 . 0 0 "[ ]" 1
430 1 45 GLU HA 1 48 GLU H 3.900 . 4.100 4.064 4.064 4.064 . 0 0 "[ ]" 1
431 1 45 GLU HA 1 48 GLU HB3 3.400 . 3.600 3.506 3.506 3.506 . 0 0 "[ ]" 1
432 1 45 GLU HA 1 48 GLU HG3 5.000 . 5.200 4.751 4.751 4.751 . 0 0 "[ ]" 1
433 1 45 GLU HA 1 49 GLU H 4.300 . 4.500 3.753 3.753 3.753 . 0 0 "[ ]" 1
434 1 45 GLU HB3 1 46 GLU H 4.100 . 4.300 3.602 3.602 3.602 . 0 0 "[ ]" 1
435 1 45 GLU HB3 1 49 GLU H 4.800 . 5.000 5.013 5.013 5.013 0.013 1 0 "[ ]" 1
436 1 45 GLU O 1 49 GLU H 2.300 . 2.500 2.046 2.046 2.046 . 0 0 "[ ]" 1
437 1 45 GLU O 1 49 GLU N 3.000 . 3.200 2.986 2.986 2.986 . 0 0 "[ ]" 1
438 1 46 GLU H 1 46 GLU HG2 4.000 . 4.200 2.975 2.975 2.975 . 0 0 "[ ]" 1
439 1 46 GLU H 1 46 GLU HG3 3.200 . 3.400 2.080 2.080 2.080 . 0 0 "[ ]" 1
440 1 46 GLU H 1 47 VAL H 3.100 . 3.300 2.835 2.835 2.835 . 0 0 "[ ]" 1
441 1 46 GLU H 1 47 VAL HB 4.800 . 5.000 4.427 4.427 4.427 . 0 0 "[ ]" 1
442 1 46 GLU H 1 47 VAL MG1 6.000 . 6.200 5.062 5.062 5.062 . 0 0 "[ ]" 1
443 1 46 GLU HA 1 46 GLU HG3 3.300 . 3.500 3.359 3.359 3.359 . 0 0 "[ ]" 1
444 1 46 GLU HB2 1 47 VAL H 4.000 . 4.200 1.971 1.971 1.971 . 0 0 "[ ]" 1
445 1 46 GLU HB3 1 47 VAL H 3.400 . 3.600 3.266 3.266 3.266 . 0 0 "[ ]" 1
446 1 46 GLU HG2 1 47 VAL H 5.000 . 5.200 4.552 4.552 4.552 . 0 0 "[ ]" 1
447 1 46 GLU HG3 1 47 VAL H 3.600 . 3.800 3.805 3.805 3.805 0.005 1 0 "[ ]" 1
448 1 46 GLU O 1 50 ALA H 2.300 . 2.500 1.907 1.907 1.907 . 0 0 "[ ]" 1
449 1 46 GLU O 1 50 ALA N 3.000 . 3.200 2.885 2.885 2.885 . 0 0 "[ ]" 1
450 1 47 VAL H 1 47 VAL HB 2.700 . 2.900 2.150 2.150 2.150 . 0 0 "[ ]" 1
451 1 47 VAL H 1 47 VAL MG1 4.500 . 4.700 3.486 3.486 3.486 . 0 0 "[ ]" 1
452 1 47 VAL H 1 48 GLU H 3.400 . 3.600 2.985 2.985 2.985 . 0 0 "[ ]" 1
453 1 47 VAL HA 1 50 ALA H 4.100 . 4.300 3.867 3.867 3.867 . 0 0 "[ ]" 1
454 1 47 VAL HA 1 50 ALA MB 6.000 . 6.200 2.725 2.725 2.725 . 0 0 "[ ]" 1
455 1 47 VAL HB 1 48 GLU H 3.100 . 3.300 3.037 3.037 3.037 . 0 0 "[ ]" 1
456 1 47 VAL HB 1 61 TRP HH2 4.700 . 4.900 4.214 4.214 4.214 . 0 0 "[ ]" 1
457 1 47 VAL HB 1 61 TRP HZ2 5.000 . 5.200 5.043 5.043 5.043 . 0 0 "[ ]" 1
458 1 47 VAL MG1 1 48 GLU H 6.000 . 6.200 2.202 2.202 2.202 . 0 0 "[ ]" 1
459 1 47 VAL MG1 1 48 GLU HA 6.000 . 6.200 2.784 2.784 2.784 . 0 0 "[ ]" 1
460 1 47 VAL MG1 1 51 MET ME 7.000 . 7.200 3.329 3.329 3.329 . 0 0 "[ ]" 1
461 1 47 VAL MG1 1 51 MET QG 7.000 . 7.200 5.117 5.117 5.117 . 0 0 "[ ]" 1
462 1 47 VAL MG1 1 61 TRP HH2 5.900 . 6.100 2.609 2.609 2.609 . 0 0 "[ ]" 1
463 1 47 VAL MG1 1 61 TRP HZ2 6.000 . 6.200 2.559 2.559 2.559 . 0 0 "[ ]" 1
464 1 48 GLU H 1 48 GLU HB3 2.800 . 3.000 3.149 3.149 3.149 0.149 1 0 "[ ]" 1
465 1 48 GLU H 1 48 GLU HG2 3.700 . 3.900 3.931 3.931 3.931 0.031 1 0 "[ ]" 1
466 1 48 GLU H 1 48 GLU HG3 3.300 . 3.500 3.552 3.552 3.552 0.052 1 0 "[ ]" 1
467 1 48 GLU H 1 49 GLU H 3.300 . 3.500 2.934 2.934 2.934 . 0 0 "[ ]" 1
468 1 48 GLU H 1 50 ALA H 4.600 . 4.800 4.175 4.175 4.175 . 0 0 "[ ]" 1
469 1 48 GLU HA 1 48 GLU HG2 3.600 . 3.800 1.953 1.953 1.953 . 0 0 "[ ]" 1
470 1 48 GLU HA 1 48 GLU HG3 4.000 . 4.200 2.952 2.952 2.952 . 0 0 "[ ]" 1
471 1 48 GLU HA 1 50 ALA H 5.000 . 5.200 4.461 4.461 4.461 . 0 0 "[ ]" 1
472 1 48 GLU HA 1 51 MET H 3.400 . 3.600 3.301 3.301 3.301 . 0 0 "[ ]" 1
473 1 48 GLU HA 1 51 MET QB 3.900 . 4.100 2.507 2.507 2.507 . 0 0 "[ ]" 1
474 1 48 GLU HA 1 52 ASP H 4.600 . 4.800 4.282 4.282 4.282 . 0 0 "[ ]" 1
475 1 48 GLU HA 1 61 TRP HZ2 5.000 . 5.200 2.643 2.643 2.643 . 0 0 "[ ]" 1
476 1 48 GLU HB2 1 49 GLU H 2.900 . 3.100 2.846 2.846 2.846 . 0 0 "[ ]" 1
477 1 48 GLU HB3 1 49 GLU H 4.400 . 4.600 2.248 2.248 2.248 . 0 0 "[ ]" 1
478 1 48 GLU HG2 1 61 TRP HZ2 3.500 . 3.700 2.111 2.111 2.111 . 0 0 "[ ]" 1
479 1 48 GLU HG3 1 61 TRP HZ2 4.200 . 4.400 1.831 1.831 1.831 . 0 0 "[ ]" 1
480 1 48 GLU O 1 51 MET H 2.300 . 2.500 2.033 2.033 2.033 . 0 0 "[ ]" 1
481 1 48 GLU O 1 51 MET N 3.000 . 3.200 2.562 2.562 2.562 . 0 0 "[ ]" 1
482 1 48 GLU O 1 52 ASP H 2.300 . 2.500 2.071 2.071 2.071 . 0 0 "[ ]" 1
483 1 48 GLU O 1 52 ASP N 3.000 . 3.200 2.994 2.994 2.994 . 0 0 "[ ]" 1
484 1 49 GLU H 1 50 ALA H 3.100 . 3.300 3.011 3.011 3.011 . 0 0 "[ ]" 1
485 1 49 GLU H 1 51 MET H 4.700 . 4.900 4.306 4.306 4.306 . 0 0 "[ ]" 1
486 1 49 GLU HA 1 52 ASP H 3.300 . 3.500 3.502 3.502 3.502 0.002 1 0 "[ ]" 1
487 1 49 GLU HA 1 52 ASP HB2 3.700 . 3.900 3.400 3.400 3.400 . 0 0 "[ ]" 1
488 1 49 GLU HA 1 52 ASP HB3 3.800 . 4.000 3.485 3.485 3.485 . 0 0 "[ ]" 1
489 1 49 GLU O 1 53 THR H 2.300 . 2.500 2.449 2.449 2.449 . 0 0 "[ ]" 1
490 1 49 GLU O 1 53 THR N 3.000 . 3.200 3.073 3.073 3.073 . 0 0 "[ ]" 1
491 1 50 ALA H 1 51 MET H 2.700 . 2.900 2.729 2.729 2.729 . 0 0 "[ ]" 1
492 1 50 ALA H 1 53 THR H 4.800 . 5.000 4.826 4.826 4.826 . 0 0 "[ ]" 1
493 1 50 ALA HA 1 53 THR H 4.400 . 4.600 3.285 3.285 3.285 . 0 0 "[ ]" 1
494 1 50 ALA HA 1 53 THR HG1 6.000 . 6.200 3.315 3.315 3.315 . 0 0 "[ ]" 1
495 1 50 ALA MB 1 51 MET HA 6.000 . 6.200 3.757 3.757 3.757 . 0 0 "[ ]" 1
496 1 51 MET H 1 51 MET HB2 2.600 . 2.800 2.660 2.660 2.660 . 0 0 "[ ]" 1
497 1 51 MET H 1 51 MET HB3 2.800 . 3.000 2.453 2.453 2.453 . 0 0 "[ ]" 1
498 1 51 MET H 1 52 ASP H 3.000 . 3.200 2.758 2.758 2.758 . 0 0 "[ ]" 1
499 1 51 MET HA 1 53 THR H 5.000 . 5.200 3.830 3.830 3.830 . 0 0 "[ ]" 1
500 1 51 MET HA 1 59 ILE QG 6.000 . 6.200 4.965 4.965 4.965 . 0 0 "[ ]" 1
501 1 51 MET HB2 1 52 ASP H 5.000 . 5.200 3.966 3.966 3.966 . 0 0 "[ ]" 1
502 1 51 MET HB2 1 59 ILE QG 6.000 . 6.200 3.903 3.903 3.903 . 0 0 "[ ]" 1
503 1 51 MET HB3 1 52 ASP H 3.100 . 3.300 2.626 2.626 2.626 . 0 0 "[ ]" 1
504 1 51 MET ME 1 60 HIS H 6.000 . 6.200 3.580 3.580 3.580 . 0 0 "[ ]" 1
505 1 51 MET ME 1 61 TRP H 6.000 . 6.200 3.149 3.149 3.149 . 0 0 "[ ]" 1
506 1 51 MET ME 1 61 TRP HD1 6.000 . 6.200 2.516 2.516 2.516 . 0 0 "[ ]" 1
507 1 51 MET ME 1 61 TRP HE1 6.000 . 6.200 2.083 2.083 2.083 . 0 0 "[ ]" 1
508 1 51 MET ME 1 61 TRP HZ2 6.000 . 6.200 3.567 3.567 3.567 . 0 0 "[ ]" 1
509 1 51 MET QG 1 59 ILE QG 7.000 . 7.200 3.651 3.651 3.651 . 0 0 "[ ]" 1
510 1 52 ASP H 1 52 ASP HB2 4.100 . 4.300 2.274 2.274 2.274 . 0 0 "[ ]" 1
511 1 52 ASP H 1 52 ASP HB3 3.100 . 3.300 2.918 2.918 2.918 . 0 0 "[ ]" 1
512 1 52 ASP H 1 53 THR H 3.600 . 3.800 2.526 2.526 2.526 . 0 0 "[ ]" 1
513 1 52 ASP HB2 1 53 THR H 5.000 . 5.200 3.936 3.936 3.936 . 0 0 "[ ]" 1
514 1 52 ASP HB3 1 53 THR H 4.900 . 5.100 3.313 3.313 3.313 . 0 0 "[ ]" 1
515 1 54 CYS HB2 1 57 GLN HA 3.000 . 3.200 3.201 3.201 3.201 0.001 1 0 "[ ]" 1
516 1 54 CYS HB2 1 57 GLN QG 4.000 . 4.200 3.760 3.760 3.760 . 0 0 "[ ]" 1
517 1 54 CYS HB2 1 59 ILE HB 5.000 . 5.200 5.203 5.203 5.203 0.003 1 0 "[ ]" 1
518 1 55 PRO HA 1 57 GLN H 5.000 . 5.200 4.405 4.405 4.405 . 0 0 "[ ]" 1
519 1 58 CYS HA 1 60 HIS HD1 5.000 . 5.200 5.016 5.016 5.016 . 0 0 "[ ]" 1
520 1 59 ILE HA 1 60 HIS H 3.500 . 3.700 2.298 2.298 2.298 . 0 0 "[ ]" 1
521 1 59 ILE QG 1 60 HIS H 6.000 . 6.200 2.210 2.210 2.210 . 0 0 "[ ]" 1
522 1 60 HIS H 1 60 HIS HD1 5.000 . 5.200 2.791 2.791 2.791 . 0 0 "[ ]" 1
523 1 60 HIS HA 1 61 TRP H 3.500 . 3.700 2.211 2.211 2.211 . 0 0 "[ ]" 1
524 1 60 HIS HB2 1 61 TRP H 5.000 . 5.200 3.998 3.998 3.998 . 0 0 "[ ]" 1
525 1 60 HIS HB3 1 61 TRP H 3.200 . 3.400 3.340 3.340 3.340 . 0 0 "[ ]" 1
526 1 61 TRP H 1 61 TRP HD1 5.000 . 5.200 1.945 1.945 1.945 . 0 0 "[ ]" 1
527 1 61 TRP HA 1 61 TRP HE3 3.400 . 3.600 3.617 3.617 3.617 0.017 1 0 "[ ]" 1
528 1 61 TRP HA 1 62 GLU H 3.000 . 3.200 2.350 2.350 2.350 . 0 0 "[ ]" 1
529 1 61 TRP HB2 1 61 TRP HD1 3.500 . 3.700 2.801 2.801 2.801 . 0 0 "[ ]" 1
530 1 61 TRP HB2 1 61 TRP HE3 3.700 . 3.900 3.955 3.955 3.955 0.055 1 0 "[ ]" 1
531 1 61 TRP HB2 1 62 GLU H 5.000 . 5.200 3.862 3.862 3.862 . 0 0 "[ ]" 1
532 1 61 TRP HB3 1 62 GLU H 3.600 . 3.800 2.714 2.714 2.714 . 0 0 "[ ]" 1
533 1 61 TRP HB3 1 63 ASP H 5.000 . 5.200 4.915 4.915 4.915 . 0 0 "[ ]" 1
534 1 61 TRP HE3 1 62 GLU H 5.000 . 5.200 3.775 3.775 3.775 . 0 0 "[ ]" 1
535 1 62 GLU H 1 62 GLU HB2 3.400 . 3.600 3.261 3.261 3.261 . 0 0 "[ ]" 1
536 1 62 GLU H 1 62 GLU HB3 4.200 . 4.400 2.500 2.500 2.500 . 0 0 "[ ]" 1
537 1 62 GLU H 1 62 GLU HG2 5.000 . 5.200 4.255 4.255 4.255 . 0 0 "[ ]" 1
538 1 62 GLU H 1 62 GLU HG3 5.000 . 5.200 4.516 4.516 4.516 . 0 0 "[ ]" 1
539 1 62 GLU HA 1 62 GLU HG3 3.500 . 3.700 2.536 2.536 2.536 . 0 0 "[ ]" 1
540 1 62 GLU HA 1 63 ASP H 3.400 . 3.600 2.207 2.207 2.207 . 0 0 "[ ]" 1
541 1 62 GLU HB2 1 63 ASP H 5.000 . 5.200 4.371 4.371 4.371 . 0 0 "[ ]" 1
542 1 62 GLU HB3 1 63 ASP H 5.000 . 5.200 4.495 4.495 4.495 . 0 0 "[ ]" 1
543 1 63 ASP H 1 64 GLU H 5.000 . 5.200 2.363 2.363 2.363 . 0 0 "[ ]" 1
544 1 63 ASP H 1 64 GLU QB 6.000 . 6.200 4.362 4.362 4.362 . 0 0 "[ ]" 1
545 2 1 SF4 FE1 2 1 SF4 FE2 2.660 . 2.860 2.769 2.769 2.769 . 0 0 "[ ]" 1
546 2 1 SF4 FE1 2 1 SF4 FE3 2.660 . 2.860 2.619 2.619 2.619 . 0 0 "[ ]" 1
547 2 1 SF4 FE1 2 1 SF4 FE4 2.660 . 2.860 2.900 2.900 2.900 0.040 1 0 "[ ]" 1
548 2 1 SF4 FE1 2 1 SF4 S2 2.320 . 2.520 2.209 2.209 2.209 . 0 0 "[ ]" 1
549 2 1 SF4 FE1 2 1 SF4 S3 2.320 . 2.520 2.460 2.460 2.460 . 0 0 "[ ]" 1
550 2 1 SF4 FE2 2 1 SF4 FE3 2.660 . 2.860 2.995 2.995 2.995 0.135 1 0 "[ ]" 1
551 2 1 SF4 FE2 2 1 SF4 FE4 2.660 . 2.860 2.916 2.916 2.916 0.056 1 0 "[ ]" 1
552 2 1 SF4 FE2 2 1 SF4 S3 2.320 . 2.520 2.215 2.215 2.215 . 0 0 "[ ]" 1
553 2 1 SF4 FE2 2 1 SF4 S4 2.320 . 2.520 2.466 2.466 2.466 . 0 0 "[ ]" 1
554 2 1 SF4 FE3 2 1 SF4 FE4 2.660 . 2.860 2.836 2.836 2.836 . 0 0 "[ ]" 1
555 2 1 SF4 FE3 2 1 SF4 S1 2.320 . 2.520 2.478 2.478 2.478 . 0 0 "[ ]" 1
556 2 1 SF4 FE3 2 1 SF4 S4 2.320 . 2.520 2.208 2.208 2.208 . 0 0 "[ ]" 1
557 2 1 SF4 FE4 2 1 SF4 S1 2.320 . 2.520 2.215 2.215 2.215 . 0 0 "[ ]" 1
558 2 1 SF4 FE4 2 1 SF4 S2 2.320 . 2.520 2.509 2.509 2.509 . 0 0 "[ ]" 1
559 2 1 SF4 S1 2 1 SF4 S2 3.510 . 3.710 3.727 3.727 3.727 0.017 1 0 "[ ]" 1
560 2 1 SF4 S1 2 1 SF4 S3 3.510 . 3.710 3.653 3.653 3.653 . 0 0 "[ ]" 1
561 2 1 SF4 S1 2 1 SF4 S4 3.510 . 3.710 3.776 3.776 3.776 0.066 1 0 "[ ]" 1
562 2 1 SF4 S2 2 1 SF4 S3 3.510 . 3.710 3.780 3.780 3.780 0.070 1 0 "[ ]" 1
563 2 1 SF4 S2 2 1 SF4 S4 3.510 . 3.710 3.345 3.345 3.345 . 0 0 "[ ]" 1
564 2 1 SF4 S3 2 1 SF4 S4 3.510 . 3.710 3.623 3.623 3.623 . 0 0 "[ ]" 1
stop_
save_
Contact the webmaster for help, if required. Friday, May 10, 2024 8:29:44 AM GMT (wattos1)