Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
611017 | 2k38 RC | 17015 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2k38
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 581
_Distance_constraint_stats_list.Viol_count 15
_Distance_constraint_stats_list.Viol_total 0.501
_Distance_constraint_stats_list.Viol_max 0.103
_Distance_constraint_stats_list.Viol_rms 0.0072
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0009
_Distance_constraint_stats_list.Viol_average_violations_only 0.0334
_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 GLY 0.000 0.000 . 0 "[ ]"
1 2 PHE 0.017 0.017 1 0 "[ ]"
1 3 GLY 0.000 0.000 . 0 "[ ]"
1 4 ALA 0.063 0.043 1 0 "[ ]"
1 5 LEU 0.058 0.041 1 0 "[ ]"
1 6 PHE 0.029 0.029 1 0 "[ ]"
1 7 LYS 0.021 0.020 1 0 "[ ]"
1 8 PHE 0.163 0.066 1 0 "[ ]"
1 9 LEU 0.184 0.088 1 0 "[ ]"
1 10 ALA 0.063 0.050 1 0 "[ ]"
1 11 LYS 0.066 0.066 1 0 "[ ]"
1 12 LYS 0.023 0.012 1 0 "[ ]"
1 13 VAL 0.151 0.088 1 0 "[ ]"
1 14 ALA 0.013 0.011 1 0 "[ ]"
1 15 LYS 0.103 0.103 1 0 "[ ]"
1 16 THR 0.000 0.000 . 0 "[ ]"
1 17 VAL 0.006 0.004 1 0 "[ ]"
1 18 ALA 0.004 0.004 1 0 "[ ]"
1 19 LYS 0.000 0.000 . 0 "[ ]"
1 20 GLN 0.000 0.000 . 0 "[ ]"
1 21 ALA 0.000 0.000 . 0 "[ ]"
1 22 ALA 0.000 0.000 . 0 "[ ]"
1 23 LYS 0.000 0.000 . 0 "[ ]"
1 24 GLN 0.000 0.000 . 0 "[ ]"
1 25 GLY 0.000 0.000 . 0 "[ ]"
1 26 ALA 0.000 0.000 . 0 "[ ]"
1 27 LYS 0.000 0.000 . 0 "[ ]"
1 28 TYR 0.000 0.000 . 0 "[ ]"
1 29 VAL 0.000 0.000 . 0 "[ ]"
1 30 VAL 0.000 0.000 . 0 "[ ]"
1 31 ASN 0.000 0.000 . 0 "[ ]"
1 32 LYS 0.000 0.000 . 0 "[ ]"
1 33 GLN 0.000 0.000 . 0 "[ ]"
1 34 MET 0.000 0.000 . 0 "[ ]"
1 35 GLU 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 GLY HA2 1 2 PHE H 3.200 . 4.500 3.531 3.531 3.531 . 0 0 "[ ]" 1
2 1 1 GLY HA3 1 2 PHE H 3.100 . 4.300 2.849 2.849 2.849 . 0 0 "[ ]" 1
3 1 2 PHE H 1 2 PHE HB2 3.200 . 4.500 2.254 2.254 2.254 . 0 0 "[ ]" 1
4 1 2 PHE H 1 2 PHE HB3 3.200 . 4.500 3.254 3.254 3.254 . 0 0 "[ ]" 1
5 1 2 PHE H 1 2 PHE QD 5.200 . 6.000 3.615 3.615 3.615 . 0 0 "[ ]" 1
6 1 2 PHE H 1 3 GLY H 3.200 . 4.500 3.766 3.766 3.766 . 0 0 "[ ]" 1
7 1 2 PHE HA 1 2 PHE QD 3.200 . 4.500 2.931 2.931 2.931 . 0 0 "[ ]" 1
8 1 2 PHE HA 1 3 GLY H 3.100 . 4.300 2.377 2.377 2.377 . 0 0 "[ ]" 1
9 1 2 PHE HA 1 5 LEU QB 3.500 . 6.000 6.017 6.017 6.017 0.017 1 0 "[ ]" 1
10 1 2 PHE HB2 1 2 PHE QD 2.500 . 3.300 2.467 2.467 2.467 . 0 0 "[ ]" 1
11 1 2 PHE HB2 1 3 GLY H 4.800 . 6.000 4.656 4.656 4.656 . 0 0 "[ ]" 1
12 1 2 PHE HB3 1 2 PHE QD 3.000 . 4.100 2.319 2.319 2.319 . 0 0 "[ ]" 1
13 1 2 PHE HB3 1 3 GLY H 4.500 . 6.000 4.257 4.257 4.257 . 0 0 "[ ]" 1
14 1 2 PHE QD 1 3 GLY HA2 3.600 . 5.200 3.034 3.034 3.034 . 0 0 "[ ]" 1
15 1 2 PHE QD 1 3 GLY HA3 4.900 . 6.000 3.529 3.529 3.529 . 0 0 "[ ]" 1
16 1 2 PHE QD 1 4 ALA H 4.500 . 6.000 3.031 3.031 3.031 . 0 0 "[ ]" 1
17 1 2 PHE QD 1 5 LEU MD1 4.000 . 6.000 2.718 2.718 2.718 . 0 0 "[ ]" 1
18 1 2 PHE QD 1 8 PHE QD 2.200 . 6.000 5.112 5.112 5.112 . 0 0 "[ ]" 1
19 1 2 PHE QD 1 8 PHE QE 2.400 . 6.000 5.676 5.676 5.676 . 0 0 "[ ]" 1
20 1 3 GLY H 1 3 GLY HA3 2.600 . 3.400 2.349 2.349 2.349 . 0 0 "[ ]" 1
21 1 3 GLY H 1 4 ALA H 3.000 . 4.100 2.737 2.737 2.737 . 0 0 "[ ]" 1
22 1 3 GLY H 1 4 ALA MB 5.000 . 6.000 3.917 3.917 3.917 . 0 0 "[ ]" 1
23 1 3 GLY H 1 5 LEU H 4.600 . 6.000 4.626 4.626 4.626 . 0 0 "[ ]" 1
24 1 3 GLY H 1 6 PHE QD 2.800 . 6.000 5.610 5.610 5.610 . 0 0 "[ ]" 1
25 1 3 GLY HA2 1 4 ALA H 2.700 . 3.600 2.918 2.918 2.918 . 0 0 "[ ]" 1
26 1 3 GLY HA2 1 6 PHE HB3 4.500 . 6.000 5.799 5.799 5.799 . 0 0 "[ ]" 1
27 1 3 GLY HA3 1 4 ALA H 3.300 . 4.700 3.431 3.431 3.431 . 0 0 "[ ]" 1
28 1 3 GLY HA3 1 6 PHE HB2 4.500 . 6.000 4.987 4.987 4.987 . 0 0 "[ ]" 1
29 1 4 ALA H 1 4 ALA HA 2.900 . 3.900 2.903 2.903 2.903 . 0 0 "[ ]" 1
30 1 4 ALA H 1 4 ALA MB 2.500 . 3.300 2.234 2.234 2.234 . 0 0 "[ ]" 1
31 1 4 ALA H 1 5 LEU H 2.200 . 2.800 2.072 2.072 2.072 . 0 0 "[ ]" 1
32 1 4 ALA H 1 5 LEU QB 3.700 . 5.400 3.459 3.459 3.459 . 0 0 "[ ]" 1
33 1 4 ALA H 1 5 LEU HB3 3.200 . 4.500 3.499 3.499 3.499 . 0 0 "[ ]" 1
34 1 4 ALA H 1 5 LEU MD2 6.000 . 6.000 3.993 3.993 3.993 . 0 0 "[ ]" 1
35 1 4 ALA H 1 5 LEU MD2 3.800 . 5.600 3.742 3.742 3.742 . 0 0 "[ ]" 1
36 1 4 ALA H 1 5 LEU HG 3.200 . 4.100 2.800 2.800 2.800 . 0 0 "[ ]" 1
37 1 4 ALA HA 1 4 ALA MB 2.000 . 2.500 2.088 2.088 2.088 . 0 0 "[ ]" 1
38 1 4 ALA HA 1 5 LEU H 3.300 . 4.700 3.346 3.346 3.346 . 0 0 "[ ]" 1
39 1 4 ALA HA 1 5 LEU QB 4.000 . 6.000 5.457 5.457 5.457 . 0 0 "[ ]" 1
40 1 4 ALA HA 1 7 LYS HB2 4.100 . 6.000 5.633 5.633 5.633 . 0 0 "[ ]" 1
41 1 4 ALA HA 1 7 LYS HB3 6.000 . 6.000 5.048 5.048 5.048 . 0 0 "[ ]" 1
42 1 4 ALA MB 1 5 LEU H 3.400 . 4.800 3.202 3.202 3.202 . 0 0 "[ ]" 1
43 1 4 ALA MB 1 5 LEU MD2 5.500 . 6.000 4.590 4.590 4.590 . 0 0 "[ ]" 1
44 1 4 ALA MB 1 7 LYS QE 1.700 . 2.200 2.220 2.220 2.220 0.020 1 0 "[ ]" 1
45 1 4 ALA MB 1 8 PHE HA 5.200 . 6.000 5.987 5.987 5.987 . 0 0 "[ ]" 1
46 1 4 ALA MB 1 8 PHE QD 3.300 . 4.700 4.594 4.594 4.594 . 0 0 "[ ]" 1
47 1 4 ALA MB 1 8 PHE QE 5.200 . 6.000 6.043 6.043 6.043 0.043 1 0 "[ ]" 1
48 1 5 LEU H 1 5 LEU HA 2.300 . 3.000 2.886 2.886 2.886 . 0 0 "[ ]" 1
49 1 5 LEU H 1 5 LEU QB 2.400 . 3.100 2.801 2.801 2.801 . 0 0 "[ ]" 1
50 1 5 LEU H 1 5 LEU MD1 4.700 . 6.000 3.188 3.188 3.188 . 0 0 "[ ]" 1
51 1 5 LEU H 1 5 LEU MD2 4.200 . 6.000 3.121 3.121 3.121 . 0 0 "[ ]" 1
52 1 5 LEU H 1 5 LEU HG 2.000 . 2.500 1.697 1.697 1.697 . 0 0 "[ ]" 1
53 1 5 LEU H 1 6 PHE HB2 4.700 . 6.000 4.552 4.552 4.552 . 0 0 "[ ]" 1
54 1 5 LEU H 1 6 PHE HB3 5.500 . 6.000 5.926 5.926 5.926 . 0 0 "[ ]" 1
55 1 5 LEU H 1 7 LYS HA 3.500 . 5.100 3.322 3.322 3.322 . 0 0 "[ ]" 1
56 1 5 LEU H 1 7 LYS HG3 3.300 . 4.700 3.078 3.078 3.078 . 0 0 "[ ]" 1
57 1 5 LEU HA 1 5 LEU QB 2.400 . 3.100 2.157 2.157 2.157 . 0 0 "[ ]" 1
58 1 5 LEU HA 1 5 LEU MD1 3.500 . 5.000 3.770 3.770 3.770 . 0 0 "[ ]" 1
59 1 5 LEU HA 1 5 LEU MD2 4.100 . 6.000 3.977 3.977 3.977 . 0 0 "[ ]" 1
60 1 5 LEU HA 1 5 LEU HG 2.800 . 3.800 3.597 3.597 3.597 . 0 0 "[ ]" 1
61 1 5 LEU HA 1 6 PHE H 2.700 . 3.600 2.716 2.716 2.716 . 0 0 "[ ]" 1
62 1 5 LEU HA 1 8 PHE H 2.400 . 3.100 2.760 2.760 2.760 . 0 0 "[ ]" 1
63 1 5 LEU HA 1 8 PHE HB2 4.000 . 6.000 3.872 3.872 3.872 . 0 0 "[ ]" 1
64 1 5 LEU HA 1 8 PHE HB3 2.400 . 3.100 2.153 2.153 2.153 . 0 0 "[ ]" 1
65 1 5 LEU HA 1 8 PHE QD 2.200 . 2.800 1.716 1.716 1.716 . 0 0 "[ ]" 1
66 1 5 LEU QB 1 9 LEU MD1 3.700 . 5.400 2.027 2.027 2.027 . 0 0 "[ ]" 1
67 1 5 LEU QB 1 5 LEU MD1 3.200 . 4.500 2.061 2.061 2.061 . 0 0 "[ ]" 1
68 1 5 LEU QB 1 5 LEU MD2 2.600 . 3.400 2.073 2.073 2.073 . 0 0 "[ ]" 1
69 1 5 LEU QB 1 6 PHE QD 4.700 . 6.000 4.800 4.800 4.800 . 0 0 "[ ]" 1
70 1 5 LEU QB 1 8 PHE HA 6.000 . 6.000 6.041 6.041 6.041 0.041 1 0 "[ ]" 1
71 1 5 LEU QB 1 8 PHE QD 3.300 . 4.700 2.387 2.387 2.387 . 0 0 "[ ]" 1
72 1 5 LEU QB 1 8 PHE QE 4.200 . 6.000 3.146 3.146 3.146 . 0 0 "[ ]" 1
73 1 5 LEU QB 1 9 LEU H 3.900 . 5.800 3.853 3.853 3.853 . 0 0 "[ ]" 1
74 1 5 LEU MD1 1 5 LEU HG 2.400 . 3.100 2.115 2.115 2.115 . 0 0 "[ ]" 1
75 1 5 LEU MD1 1 8 PHE QE 4.900 . 6.000 5.097 5.097 5.097 . 0 0 "[ ]" 1
76 1 5 LEU MD1 1 9 LEU HG 3.200 . 4.500 3.628 3.628 3.628 . 0 0 "[ ]" 1
77 1 5 LEU MD1 1 9 LEU HG 5.600 . 6.000 3.527 3.527 3.527 . 0 0 "[ ]" 1
78 1 5 LEU MD2 1 5 LEU HG 2.200 . 2.800 2.128 2.128 2.128 . 0 0 "[ ]" 1
79 1 5 LEU MD2 1 8 PHE QD 3.100 . 4.300 4.265 4.265 4.265 . 0 0 "[ ]" 1
80 1 5 LEU HG 1 6 PHE QD 3.300 . 4.600 4.452 4.452 4.452 . 0 0 "[ ]" 1
81 1 5 LEU HG 1 8 PHE QD 4.300 . 6.000 4.764 4.764 4.764 . 0 0 "[ ]" 1
82 1 5 LEU HG 1 8 PHE QE 4.600 . 6.000 5.991 5.991 5.991 . 0 0 "[ ]" 1
83 1 6 PHE H 1 6 PHE HB2 2.400 . 3.100 2.373 2.373 2.373 . 0 0 "[ ]" 1
84 1 6 PHE H 1 6 PHE HB3 3.100 . 4.300 3.589 3.589 3.589 . 0 0 "[ ]" 1
85 1 6 PHE H 1 9 LEU HB2 3.300 . 6.000 5.379 5.379 5.379 . 0 0 "[ ]" 1
86 1 6 PHE H 1 9 LEU QD 5.100 . 6.000 4.582 4.582 4.582 . 0 0 "[ ]" 1
87 1 6 PHE HA 1 6 PHE HB3 2.900 . 3.900 2.536 2.536 2.536 . 0 0 "[ ]" 1
88 1 6 PHE HA 1 6 PHE QD 3.000 . 4.200 2.008 2.008 2.008 . 0 0 "[ ]" 1
89 1 6 PHE HA 1 7 LYS H 2.600 . 3.500 3.343 3.343 3.343 . 0 0 "[ ]" 1
90 1 6 PHE HA 1 9 LEU H 3.200 . 4.500 4.036 4.036 4.036 . 0 0 "[ ]" 1
91 1 6 PHE HA 1 9 LEU HB2 3.000 . 4.100 3.635 3.635 3.635 . 0 0 "[ ]" 1
92 1 6 PHE HA 1 9 LEU QD 4.500 . 6.000 3.583 3.583 3.583 . 0 0 "[ ]" 1
93 1 6 PHE HA 1 10 ALA H 3.800 . 5.600 4.815 4.815 4.815 . 0 0 "[ ]" 1
94 1 6 PHE HA 1 10 ALA MB 3.000 . 6.000 4.804 4.804 4.804 . 0 0 "[ ]" 1
95 1 6 PHE HB2 1 6 PHE QD 3.000 . 4.200 2.290 2.290 2.290 . 0 0 "[ ]" 1
96 1 6 PHE HB2 1 7 LYS H 3.200 . 4.500 3.338 3.338 3.338 . 0 0 "[ ]" 1
97 1 6 PHE HB2 1 7 LYS HA 4.800 . 6.000 4.849 4.849 4.849 . 0 0 "[ ]" 1
98 1 6 PHE HB3 1 6 PHE QD 3.200 . 4.500 2.734 2.734 2.734 . 0 0 "[ ]" 1
99 1 6 PHE HB3 1 7 LYS H 3.000 . 4.200 4.084 4.084 4.084 . 0 0 "[ ]" 1
100 1 6 PHE HB3 1 7 LYS HA 4.600 . 6.000 4.574 4.574 4.574 . 0 0 "[ ]" 1
101 1 6 PHE HB3 1 7 LYS HB2 4.100 . 6.000 5.005 5.005 5.005 . 0 0 "[ ]" 1
102 1 6 PHE QD 1 9 LEU HB2 2.400 . 6.000 4.694 4.694 4.694 . 0 0 "[ ]" 1
103 1 6 PHE QD 1 9 LEU HB3 2.700 . 6.000 6.029 6.029 6.029 0.029 1 0 "[ ]" 1
104 1 6 PHE QD 1 9 LEU QD 3.200 . 6.000 3.798 3.798 3.798 . 0 0 "[ ]" 1
105 1 6 PHE QD 1 10 ALA MB 3.000 . 6.000 5.912 5.912 5.912 . 0 0 "[ ]" 1
106 1 7 LYS H 1 7 LYS HA 2.400 . 3.100 2.528 2.528 2.528 . 0 0 "[ ]" 1
107 1 7 LYS H 1 7 LYS HB3 2.300 . 2.800 2.343 2.343 2.343 . 0 0 "[ ]" 1
108 1 7 LYS H 1 7 LYS QD 3.100 . 4.300 4.044 4.044 4.044 . 0 0 "[ ]" 1
109 1 7 LYS H 1 7 LYS QE 4.700 . 6.000 4.202 4.202 4.202 . 0 0 "[ ]" 1
110 1 7 LYS H 1 7 LYS HG2 2.700 . 3.600 2.098 2.098 2.098 . 0 0 "[ ]" 1
111 1 7 LYS H 1 7 LYS HG3 3.100 . 4.300 2.580 2.580 2.580 . 0 0 "[ ]" 1
112 1 7 LYS H 1 9 LEU HB2 2.600 . 6.000 4.050 4.050 4.050 . 0 0 "[ ]" 1
113 1 7 LYS H 1 9 LEU HB2 2.700 . 3.600 3.573 3.573 3.573 . 0 0 "[ ]" 1
114 1 7 LYS H 1 9 LEU H 4.100 . 6.000 3.487 3.487 3.487 . 0 0 "[ ]" 1
115 1 7 LYS HA 1 7 LYS QE 4.700 . 6.000 4.997 4.997 4.997 . 0 0 "[ ]" 1
116 1 7 LYS HA 1 7 LYS HB2 2.300 . 2.900 2.337 2.337 2.337 . 0 0 "[ ]" 1
117 1 7 LYS HA 1 7 LYS HB3 2.200 . 2.800 2.176 2.176 2.176 . 0 0 "[ ]" 1
118 1 7 LYS HA 1 7 LYS QD 4.100 . 6.000 4.265 4.265 4.265 . 0 0 "[ ]" 1
119 1 7 LYS HA 1 7 LYS HG2 3.000 . 4.100 3.687 3.687 3.687 . 0 0 "[ ]" 1
120 1 7 LYS HA 1 7 LYS HG3 2.500 . 3.300 2.444 2.444 2.444 . 0 0 "[ ]" 1
121 1 7 LYS HA 1 8 PHE HA 4.600 . 6.000 4.144 4.144 4.144 . 0 0 "[ ]" 1
122 1 7 LYS HA 1 8 PHE HB2 5.100 . 6.000 5.130 5.130 5.130 . 0 0 "[ ]" 1
123 1 7 LYS HA 1 8 PHE HB3 4.300 . 6.000 4.872 4.872 4.872 . 0 0 "[ ]" 1
124 1 7 LYS HA 1 8 PHE QD 4.100 . 6.000 4.028 4.028 4.028 . 0 0 "[ ]" 1
125 1 7 LYS HA 1 9 LEU H 2.700 . 3.600 2.839 2.839 2.839 . 0 0 "[ ]" 1
126 1 7 LYS HA 1 10 ALA H 3.300 . 4.600 3.143 3.143 3.143 . 0 0 "[ ]" 1
127 1 7 LYS HA 1 11 LYS H 3.800 . 5.600 3.303 3.303 3.303 . 0 0 "[ ]" 1
128 1 7 LYS HB2 1 8 PHE HB3 3.800 . 5.600 5.457 5.457 5.457 . 0 0 "[ ]" 1
129 1 7 LYS HB2 1 8 PHE HB3 4.800 . 6.000 3.746 3.746 3.746 . 0 0 "[ ]" 1
130 1 7 LYS HB3 1 8 PHE QD 3.500 . 5.000 4.282 4.282 4.282 . 0 0 "[ ]" 1
131 1 7 LYS HB3 1 9 LEU H 4.300 . 6.000 6.001 6.001 6.001 0.001 1 0 "[ ]" 1
132 1 7 LYS QD 1 7 LYS HE2 2.000 . 2.500 1.869 1.869 1.869 . 0 0 "[ ]" 1
133 1 7 LYS HE3 1 7 LYS HG2 2.800 . 3.800 2.043 2.043 2.043 . 0 0 "[ ]" 1
134 1 7 LYS HG3 1 8 PHE QD 3.200 . 6.000 5.384 5.384 5.384 . 0 0 "[ ]" 1
135 1 7 LYS HG3 1 9 LEU H 4.700 . 6.000 3.955 3.955 3.955 . 0 0 "[ ]" 1
136 1 8 PHE H 1 8 PHE HA 2.300 . 3.000 2.921 2.921 2.921 . 0 0 "[ ]" 1
137 1 8 PHE H 1 8 PHE HB2 3.000 . 4.100 3.382 3.382 3.382 . 0 0 "[ ]" 1
138 1 8 PHE H 1 8 PHE HB3 2.100 . 2.600 2.205 2.205 2.205 . 0 0 "[ ]" 1
139 1 8 PHE H 1 8 PHE QD 3.900 . 5.800 3.554 3.554 3.554 . 0 0 "[ ]" 1
140 1 8 PHE H 1 9 LEU H 2.000 . 2.500 2.167 2.167 2.167 . 0 0 "[ ]" 1
141 1 8 PHE H 1 9 LEU HB2 3.000 . 4.100 2.620 2.620 2.620 . 0 0 "[ ]" 1
142 1 8 PHE HA 1 8 PHE HB2 2.500 . 3.300 2.242 2.242 2.242 . 0 0 "[ ]" 1
143 1 8 PHE HA 1 8 PHE HB3 2.800 . 3.800 2.904 2.904 2.904 . 0 0 "[ ]" 1
144 1 8 PHE HA 1 8 PHE QD 3.200 . 4.500 3.094 3.094 3.094 . 0 0 "[ ]" 1
145 1 8 PHE HA 1 9 LEU H 3.500 . 5.000 3.490 3.490 3.490 . 0 0 "[ ]" 1
146 1 8 PHE HA 1 11 LYS H 3.400 . 4.800 3.928 3.928 3.928 . 0 0 "[ ]" 1
147 1 8 PHE HA 1 11 LYS QB 3.000 . 4.100 3.583 3.583 3.583 . 0 0 "[ ]" 1
148 1 8 PHE HA 1 11 LYS QD 3.200 . 4.500 4.449 4.449 4.449 . 0 0 "[ ]" 1
149 1 8 PHE HB2 1 8 PHE QD 2.700 . 3.600 2.514 2.514 2.514 . 0 0 "[ ]" 1
150 1 8 PHE HB2 1 9 LEU H 3.800 . 5.600 4.301 4.301 4.301 . 0 0 "[ ]" 1
151 1 8 PHE HB2 1 9 LEU HG 3.600 . 5.200 5.266 5.266 5.266 0.066 1 0 "[ ]" 1
152 1 8 PHE HB3 1 8 PHE QD 2.500 . 3.300 2.292 2.292 2.292 . 0 0 "[ ]" 1
153 1 8 PHE HB3 1 9 LEU H 3.200 . 4.500 3.264 3.264 3.264 . 0 0 "[ ]" 1
154 1 8 PHE HB3 1 9 LEU HB2 5.500 . 6.000 3.805 3.805 3.805 . 0 0 "[ ]" 1
155 1 8 PHE QD 1 9 LEU H 3.800 . 5.600 3.358 3.358 3.358 . 0 0 "[ ]" 1
156 1 8 PHE QD 1 9 LEU QD 4.400 . 6.000 3.196 3.196 3.196 . 0 0 "[ ]" 1
157 1 8 PHE QD 1 9 LEU MD2 3.200 . 4.500 3.407 3.407 3.407 . 0 0 "[ ]" 1
158 1 8 PHE QD 1 9 LEU HG 3.300 . 4.700 2.658 2.658 2.658 . 0 0 "[ ]" 1
159 1 8 PHE QD 1 9 LEU HG 4.000 . 6.000 2.649 2.649 2.649 . 0 0 "[ ]" 1
160 1 8 PHE QD 1 12 LYS QB 3.100 . 4.300 4.312 4.312 4.312 0.012 1 0 "[ ]" 1
161 1 8 PHE QE 1 9 LEU QD 5.000 . 6.000 2.422 2.422 2.422 . 0 0 "[ ]" 1
162 1 8 PHE QE 1 9 LEU MD2 3.100 . 4.300 2.449 2.449 2.449 . 0 0 "[ ]" 1
163 1 9 LEU H 1 9 LEU HB2 1.900 . 2.400 2.371 2.371 2.371 . 0 0 "[ ]" 1
164 1 9 LEU H 1 9 LEU HB3 3.200 . 4.500 3.591 3.591 3.591 . 0 0 "[ ]" 1
165 1 9 LEU H 1 9 LEU QD 4.000 . 6.000 3.296 3.296 3.296 . 0 0 "[ ]" 1
166 1 9 LEU H 1 9 LEU HG 4.300 . 6.000 2.640 2.640 2.640 . 0 0 "[ ]" 1
167 1 9 LEU H 1 10 ALA H 2.600 . 3.400 2.411 2.411 2.411 . 0 0 "[ ]" 1
168 1 9 LEU H 1 10 ALA HA 4.900 . 6.000 4.987 4.987 4.987 . 0 0 "[ ]" 1
169 1 9 LEU H 1 10 ALA MB 4.700 . 6.000 4.105 4.105 4.105 . 0 0 "[ ]" 1
170 1 9 LEU H 1 11 LYS H 3.700 . 5.400 4.054 4.054 4.054 . 0 0 "[ ]" 1
171 1 9 LEU H 1 12 LYS QB 3.800 . 5.600 5.075 5.075 5.075 . 0 0 "[ ]" 1
172 1 9 LEU HA 1 9 LEU HB3 2.700 . 3.600 2.532 2.532 2.532 . 0 0 "[ ]" 1
173 1 9 LEU HA 1 9 LEU QD 2.700 . 3.600 2.092 2.092 2.092 . 0 0 "[ ]" 1
174 1 9 LEU HA 1 13 VAL H 3.700 . 5.400 2.782 2.782 2.782 . 0 0 "[ ]" 1
175 1 9 LEU HA 1 13 VAL HA 3.900 . 5.800 4.503 4.503 4.503 . 0 0 "[ ]" 1
176 1 9 LEU HB2 1 9 LEU QD 2.700 . 3.600 2.153 2.153 2.153 . 0 0 "[ ]" 1
177 1 9 LEU HB2 1 10 ALA H 2.600 . 3.500 3.143 3.143 3.143 . 0 0 "[ ]" 1
178 1 9 LEU HB2 1 10 ALA HA 3.600 . 5.200 4.460 4.460 4.460 . 0 0 "[ ]" 1
179 1 9 LEU HB2 1 10 ALA HA 4.600 . 6.000 4.393 4.393 4.393 . 0 0 "[ ]" 1
180 1 9 LEU HB2 1 13 VAL H 3.200 . 4.500 4.588 4.588 4.588 0.088 1 0 "[ ]" 1
181 1 9 LEU HB2 1 13 VAL MG1 3.800 . 5.600 3.663 3.663 3.663 . 0 0 "[ ]" 1
182 1 9 LEU HB3 1 9 LEU QD 2.400 . 3.100 2.106 2.106 2.106 . 0 0 "[ ]" 1
183 1 9 LEU HB3 1 10 ALA H 3.000 . 4.100 3.940 3.940 3.940 . 0 0 "[ ]" 1
184 1 9 LEU HB3 1 12 LYS QB 2.700 . 6.000 4.076 4.076 4.076 . 0 0 "[ ]" 1
185 1 9 LEU HB3 1 13 VAL H 3.600 . 5.200 3.180 3.180 3.180 . 0 0 "[ ]" 1
186 1 9 LEU HB3 1 13 VAL MG1 4.500 . 6.000 3.849 3.849 3.849 . 0 0 "[ ]" 1
187 1 9 LEU MD2 1 10 ALA H 4.200 . 6.000 4.803 4.803 4.803 . 0 0 "[ ]" 1
188 1 9 LEU MD2 1 10 ALA MB 4.700 . 6.000 3.988 3.988 3.988 . 0 0 "[ ]" 1
189 1 9 LEU HG 1 10 ALA H 4.800 . 6.000 4.656 4.656 4.656 . 0 0 "[ ]" 1
190 1 9 LEU HG 1 10 ALA H 6.000 . 6.000 4.619 4.619 4.619 . 0 0 "[ ]" 1
191 1 10 ALA H 1 10 ALA HA 2.900 . 3.900 2.839 2.839 2.839 . 0 0 "[ ]" 1
192 1 10 ALA H 1 10 ALA MB 2.400 . 3.100 2.249 2.249 2.249 . 0 0 "[ ]" 1
193 1 10 ALA H 1 11 LYS H 2.700 . 3.600 2.538 2.538 2.538 . 0 0 "[ ]" 1
194 1 10 ALA H 1 11 LYS HA 4.900 . 6.000 5.160 5.160 5.160 . 0 0 "[ ]" 1
195 1 10 ALA H 1 11 LYS QB 4.400 . 6.000 4.231 4.231 4.231 . 0 0 "[ ]" 1
196 1 10 ALA H 1 12 LYS H 3.600 . 5.300 3.921 3.921 3.921 . 0 0 "[ ]" 1
197 1 10 ALA H 1 13 VAL H 4.900 . 6.000 4.837 4.837 4.837 . 0 0 "[ ]" 1
198 1 10 ALA H 1 13 VAL HB 2.800 . 6.000 4.910 4.910 4.910 . 0 0 "[ ]" 1
199 1 10 ALA H 1 14 ALA H 6.000 . 6.000 5.202 5.202 5.202 . 0 0 "[ ]" 1
200 1 10 ALA HA 1 10 ALA MB 2.400 . 3.100 2.131 2.131 2.131 . 0 0 "[ ]" 1
201 1 10 ALA HA 1 11 LYS H 3.500 . 5.100 3.354 3.354 3.354 . 0 0 "[ ]" 1
202 1 10 ALA HA 1 13 VAL H 3.300 . 4.700 4.337 4.337 4.337 . 0 0 "[ ]" 1
203 1 10 ALA HA 1 13 VAL HA 4.900 . 6.000 6.050 6.050 6.050 0.050 1 0 "[ ]" 1
204 1 10 ALA HA 1 13 VAL HB 2.700 . 3.600 3.613 3.613 3.613 0.013 1 0 "[ ]" 1
205 1 10 ALA HA 1 13 VAL MG1 3.600 . 5.200 4.545 4.545 4.545 . 0 0 "[ ]" 1
206 1 10 ALA HA 1 13 VAL MG2 3.900 . 5.800 4.786 4.786 4.786 . 0 0 "[ ]" 1
207 1 10 ALA HA 1 14 ALA H 3.200 . 4.500 3.255 3.255 3.255 . 0 0 "[ ]" 1
208 1 10 ALA HA 1 14 ALA MB 4.100 . 6.000 2.537 2.537 2.537 . 0 0 "[ ]" 1
209 1 10 ALA MB 1 11 LYS H 3.300 . 4.700 3.093 3.093 3.093 . 0 0 "[ ]" 1
210 1 10 ALA MB 1 13 VAL H 4.700 . 6.000 3.782 3.782 3.782 . 0 0 "[ ]" 1
211 1 10 ALA MB 1 13 VAL HB 4.900 . 6.000 4.733 4.733 4.733 . 0 0 "[ ]" 1
212 1 10 ALA MB 1 15 LYS H 4.100 . 6.000 5.306 5.306 5.306 . 0 0 "[ ]" 1
213 1 10 ALA MB 1 14 ALA H 6.000 . 6.000 4.543 4.543 4.543 . 0 0 "[ ]" 1
214 1 10 ALA MB 1 13 VAL HB 4.400 . 6.000 4.973 4.973 4.973 . 0 0 "[ ]" 1
215 1 10 ALA MB 1 14 ALA H 4.400 . 6.000 4.623 4.623 4.623 . 0 0 "[ ]" 1
216 1 11 LYS H 1 11 LYS HA 2.800 . 3.800 2.934 2.934 2.934 . 0 0 "[ ]" 1
217 1 11 LYS H 1 11 LYS QB 2.500 . 3.300 2.367 2.367 2.367 . 0 0 "[ ]" 1
218 1 11 LYS H 1 11 LYS QD 3.800 . 5.600 4.439 4.439 4.439 . 0 0 "[ ]" 1
219 1 11 LYS H 1 11 LYS QG 4.000 . 6.000 4.031 4.031 4.031 . 0 0 "[ ]" 1
220 1 11 LYS H 1 12 LYS H 2.400 . 3.100 2.064 2.064 2.064 . 0 0 "[ ]" 1
221 1 11 LYS H 1 13 VAL H 4.800 . 6.000 4.083 4.083 4.083 . 0 0 "[ ]" 1
222 1 11 LYS H 1 14 ALA H 4.800 . 6.000 4.255 4.255 4.255 . 0 0 "[ ]" 1
223 1 11 LYS HA 1 11 LYS QB 2.400 . 3.100 2.477 2.477 2.477 . 0 0 "[ ]" 1
224 1 11 LYS HA 1 11 LYS QG 1.900 . 2.400 1.907 1.907 1.907 . 0 0 "[ ]" 1
225 1 11 LYS HA 1 11 LYS QG 2.100 . 2.700 1.873 1.873 1.873 . 0 0 "[ ]" 1
226 1 11 LYS HA 1 12 LYS H 3.500 . 5.000 3.361 3.361 3.361 . 0 0 "[ ]" 1
227 1 11 LYS QB 1 14 ALA H 5.000 . 6.000 5.437 5.437 5.437 . 0 0 "[ ]" 1
228 1 11 LYS QE 1 11 LYS HG2 . . 2.200 2.088 2.088 2.088 . 0 0 "[ ]" 1
229 1 12 LYS H 1 13 VAL H 2.200 . 2.800 2.402 2.402 2.402 . 0 0 "[ ]" 1
230 1 12 LYS H 1 13 VAL HA 5.100 . 6.000 4.913 4.913 4.913 . 0 0 "[ ]" 1
231 1 12 LYS H 1 13 VAL HB 2.700 . 3.600 2.168 2.168 2.168 . 0 0 "[ ]" 1
232 1 12 LYS H 1 13 VAL MG1 5.100 . 6.000 5.407 5.407 5.407 . 0 0 "[ ]" 1
233 1 12 LYS H 1 14 ALA H 2.400 . 3.100 3.111 3.111 3.111 0.011 1 0 "[ ]" 1
234 1 12 LYS HA 1 12 LYS QE 4.400 . 6.000 3.965 3.965 3.965 . 0 0 "[ ]" 1
235 1 12 LYS HA 1 13 VAL H 3.500 . 5.000 3.574 3.574 3.574 . 0 0 "[ ]" 1
236 1 12 LYS HA 1 15 LYS H 4.000 . 6.000 4.307 4.307 4.307 . 0 0 "[ ]" 1
237 1 12 LYS QB 1 13 VAL H 2.600 . 3.400 2.104 2.104 2.104 . 0 0 "[ ]" 1
238 1 12 LYS QB 1 13 VAL MG1 4.800 . 6.000 4.921 4.921 4.921 . 0 0 "[ ]" 1
239 1 12 LYS QD 1 12 LYS QG 2.300 . 3.000 2.030 2.030 2.030 . 0 0 "[ ]" 1
240 1 12 LYS QD 1 13 VAL H 2.500 . 6.000 4.747 4.747 4.747 . 0 0 "[ ]" 1
241 1 12 LYS QE 1 12 LYS QG 2.900 . 3.900 2.189 2.189 2.189 . 0 0 "[ ]" 1
242 1 13 VAL H 1 13 VAL HA 2.800 . 3.700 2.777 2.777 2.777 . 0 0 "[ ]" 1
243 1 13 VAL H 1 13 VAL HB 2.200 . 2.800 2.487 2.487 2.487 . 0 0 "[ ]" 1
244 1 13 VAL H 1 13 VAL MG1 3.200 . 4.500 3.757 3.757 3.757 . 0 0 "[ ]" 1
245 1 13 VAL H 1 13 VAL MG2 4.100 . 6.000 2.100 2.100 2.100 . 0 0 "[ ]" 1
246 1 13 VAL H 1 14 ALA H 2.600 . 3.500 2.720 2.720 2.720 . 0 0 "[ ]" 1
247 1 13 VAL H 1 14 ALA HA 4.400 . 6.000 5.343 5.343 5.343 . 0 0 "[ ]" 1
248 1 13 VAL H 1 14 ALA MB 4.800 . 6.000 4.472 4.472 4.472 . 0 0 "[ ]" 1
249 1 13 VAL H 1 15 LYS H 3.700 . 5.400 4.696 4.696 4.696 . 0 0 "[ ]" 1
250 1 13 VAL H 1 16 THR HG1 2.800 . 6.000 5.845 5.845 5.845 . 0 0 "[ ]" 1
251 1 13 VAL HA 1 13 VAL HB 2.900 . 4.000 3.019 3.019 3.019 . 0 0 "[ ]" 1
252 1 13 VAL HA 1 13 VAL MG1 2.600 . 3.400 2.394 2.394 2.394 . 0 0 "[ ]" 1
253 1 13 VAL HA 1 13 VAL MG2 2.700 . 3.600 2.355 2.355 2.355 . 0 0 "[ ]" 1
254 1 13 VAL HA 1 14 ALA H 3.600 . 5.200 3.497 3.497 3.497 . 0 0 "[ ]" 1
255 1 13 VAL HA 1 14 ALA MB 5.600 . 6.000 4.896 4.896 4.896 . 0 0 "[ ]" 1
256 1 13 VAL HA 1 15 LYS H 3.900 . 5.800 3.896 3.896 3.896 . 0 0 "[ ]" 1
257 1 13 VAL HA 1 16 THR H 3.900 . 5.800 4.499 4.499 4.499 . 0 0 "[ ]" 1
258 1 13 VAL HA 1 16 THR HB 4.200 . 6.000 5.169 5.169 5.169 . 0 0 "[ ]" 1
259 1 13 VAL HA 1 16 THR HG1 4.500 . 6.000 4.467 4.467 4.467 . 0 0 "[ ]" 1
260 1 13 VAL HA 1 17 VAL H 3.900 . 5.800 4.977 4.977 4.977 . 0 0 "[ ]" 1
261 1 13 VAL HB 1 13 VAL MG1 2.200 . 2.800 1.879 1.879 1.879 . 0 0 "[ ]" 1
262 1 13 VAL HB 1 14 ALA H 2.300 . 3.000 2.028 2.028 2.028 . 0 0 "[ ]" 1
263 1 13 VAL HB 1 14 ALA HA 2.700 . 3.600 3.261 3.261 3.261 . 0 0 "[ ]" 1
264 1 13 VAL HB 1 14 ALA MB 3.800 . 5.600 3.347 3.347 3.347 . 0 0 "[ ]" 1
265 1 13 VAL HB 1 14 ALA MB 3.600 . 5.300 3.438 3.438 3.438 . 0 0 "[ ]" 1
266 1 13 VAL MG1 1 14 ALA H 3.600 . 5.200 3.540 3.540 3.540 . 0 0 "[ ]" 1
267 1 13 VAL MG1 1 14 ALA HA 3.300 . 4.700 1.950 1.950 1.950 . 0 0 "[ ]" 1
268 1 13 VAL MG1 1 14 ALA MB 4.500 . 6.000 3.370 3.370 3.370 . 0 0 "[ ]" 1
269 1 13 VAL MG1 1 14 ALA MB 4.700 . 6.000 3.412 3.412 3.412 . 0 0 "[ ]" 1
270 1 13 VAL MG1 1 16 THR H 4.500 . 6.000 5.001 5.001 5.001 . 0 0 "[ ]" 1
271 1 13 VAL MG2 1 14 ALA H 4.100 . 6.000 3.973 3.973 3.973 . 0 0 "[ ]" 1
272 1 14 ALA H 1 14 ALA HA 2.600 . 3.400 2.940 2.940 2.940 . 0 0 "[ ]" 1
273 1 14 ALA H 1 14 ALA MB 2.400 . 3.100 2.320 2.320 2.320 . 0 0 "[ ]" 1
274 1 14 ALA H 1 15 LYS H 2.400 . 3.100 2.441 2.441 2.441 . 0 0 "[ ]" 1
275 1 14 ALA H 1 17 VAL H 4.900 . 6.000 5.603 5.603 5.603 . 0 0 "[ ]" 1
276 1 14 ALA HA 1 15 LYS H 2.200 . 2.800 2.741 2.741 2.741 . 0 0 "[ ]" 1
277 1 14 ALA HA 1 16 THR H 2.900 . 4.000 3.361 3.361 3.361 . 0 0 "[ ]" 1
278 1 14 ALA HA 1 17 VAL H 3.600 . 5.200 3.966 3.966 3.966 . 0 0 "[ ]" 1
279 1 14 ALA HA 1 17 VAL HA 5.500 . 6.000 6.002 6.002 6.002 0.002 1 0 "[ ]" 1
280 1 14 ALA HA 1 17 VAL MG2 2.800 . 3.800 3.522 3.522 3.522 . 0 0 "[ ]" 1
281 1 14 ALA HA 1 18 ALA H 2.600 . 6.000 4.219 4.219 4.219 . 0 0 "[ ]" 1
282 1 14 ALA MB 1 15 LYS H 3.100 . 4.300 3.471 3.471 3.471 . 0 0 "[ ]" 1
283 1 14 ALA MB 1 17 VAL H 4.400 . 6.000 4.005 4.005 4.005 . 0 0 "[ ]" 1
284 1 14 ALA MB 1 17 VAL HA 5.500 . 6.000 4.835 4.835 4.835 . 0 0 "[ ]" 1
285 1 15 LYS H 1 15 LYS HB2 2.400 . 3.100 2.827 2.827 2.827 . 0 0 "[ ]" 1
286 1 15 LYS H 1 15 LYS HB2 2.500 . 6.000 2.886 2.886 2.886 . 0 0 "[ ]" 1
287 1 15 LYS H 1 15 LYS HB3 2.800 . 3.800 2.822 2.822 2.822 . 0 0 "[ ]" 1
288 1 15 LYS H 1 15 LYS QD 3.300 . 4.700 4.439 4.439 4.439 . 0 0 "[ ]" 1
289 1 15 LYS H 1 15 LYS QE 2.900 . 6.000 5.351 5.351 5.351 . 0 0 "[ ]" 1
290 1 15 LYS H 1 16 THR H 2.000 . 2.500 2.021 2.021 2.021 . 0 0 "[ ]" 1
291 1 15 LYS H 1 16 THR HB 4.600 . 6.000 4.183 4.183 4.183 . 0 0 "[ ]" 1
292 1 15 LYS H 1 17 VAL H 3.700 . 5.400 2.951 2.951 2.951 . 0 0 "[ ]" 1
293 1 15 LYS H 1 17 VAL HB 2.800 . 3.800 2.050 2.050 2.050 . 0 0 "[ ]" 1
294 1 15 LYS H 1 17 VAL MG1 3.200 . 4.500 1.977 1.977 1.977 . 0 0 "[ ]" 1
295 1 15 LYS H 1 17 VAL MG2 3.100 . 4.300 2.387 2.387 2.387 . 0 0 "[ ]" 1
296 1 15 LYS HA 1 15 LYS HB2 2.400 . 3.100 2.530 2.530 2.530 . 0 0 "[ ]" 1
297 1 15 LYS HA 1 15 LYS HB3 2.300 . 2.900 3.003 3.003 3.003 0.103 1 0 "[ ]" 1
298 1 15 LYS HA 1 15 LYS QD 2.400 . 3.100 2.191 2.191 2.191 . 0 0 "[ ]" 1
299 1 15 LYS HA 1 15 LYS QE 4.300 . 6.000 3.386 3.386 3.386 . 0 0 "[ ]" 1
300 1 15 LYS HA 1 16 THR H 2.800 . 3.800 3.550 3.550 3.550 . 0 0 "[ ]" 1
301 1 15 LYS HA 1 18 ALA H 3.000 . 4.100 3.903 3.903 3.903 . 0 0 "[ ]" 1
302 1 15 LYS HB2 1 16 THR HG1 4.600 . 6.000 3.667 3.667 3.667 . 0 0 "[ ]" 1
303 1 15 LYS HB2 1 15 LYS QD 2.500 . 3.300 2.305 2.305 2.305 . 0 0 "[ ]" 1
304 1 15 LYS HB2 1 15 LYS QG 2.100 . 2.700 2.172 2.172 2.172 . 0 0 "[ ]" 1
305 1 15 LYS HB2 1 16 THR H 2.800 . 3.800 3.688 3.688 3.688 . 0 0 "[ ]" 1
306 1 15 LYS HB2 1 16 THR HA 2.900 . 4.000 3.783 3.783 3.783 . 0 0 "[ ]" 1
307 1 15 LYS HB2 1 17 VAL H 5.100 . 6.000 5.137 5.137 5.137 . 0 0 "[ ]" 1
308 1 15 LYS HB2 1 18 ALA H 5.400 . 6.000 4.925 4.925 4.925 . 0 0 "[ ]" 1
309 1 15 LYS HB3 1 15 LYS QD 3.000 . 4.100 3.267 3.267 3.267 . 0 0 "[ ]" 1
310 1 15 LYS HB3 1 15 LYS QG 1.700 . 2.200 2.154 2.154 2.154 . 0 0 "[ ]" 1
311 1 15 LYS HB3 1 16 THR H 2.500 . 3.300 2.434 2.434 2.434 . 0 0 "[ ]" 1
312 1 15 LYS QD 1 18 ALA H 3.100 . 6.000 5.809 5.809 5.809 . 0 0 "[ ]" 1
313 1 16 THR H 1 16 THR HA 2.500 . 3.300 2.878 2.878 2.878 . 0 0 "[ ]" 1
314 1 16 THR H 1 16 THR HB 3.100 . 4.300 2.738 2.738 2.738 . 0 0 "[ ]" 1
315 1 16 THR H 1 16 THR HG1 4.000 . 6.000 2.123 2.123 2.123 . 0 0 "[ ]" 1
316 1 16 THR H 1 17 VAL H 2.500 . 3.300 2.430 2.430 2.430 . 0 0 "[ ]" 1
317 1 16 THR H 1 17 VAL HA 5.300 . 6.000 5.073 5.073 5.073 . 0 0 "[ ]" 1
318 1 16 THR H 1 18 ALA H 3.200 . 4.400 3.977 3.977 3.977 . 0 0 "[ ]" 1
319 1 16 THR H 1 21 ALA HA 2.300 . 6.000 5.208 5.208 5.208 . 0 0 "[ ]" 1
320 1 16 THR HA 1 16 THR HG1 2.900 . 3.900 2.107 2.107 2.107 . 0 0 "[ ]" 1
321 1 16 THR HA 1 17 VAL H 3.400 . 4.900 3.515 3.515 3.515 . 0 0 "[ ]" 1
322 1 16 THR HA 1 17 VAL HA 4.800 . 6.000 4.791 4.791 4.791 . 0 0 "[ ]" 1
323 1 16 THR HA 1 19 LYS HB2 3.500 . 5.100 3.960 3.960 3.960 . 0 0 "[ ]" 1
324 1 16 THR HA 1 19 LYS HB3 3.100 . 4.300 3.848 3.848 3.848 . 0 0 "[ ]" 1
325 1 16 THR HA 1 20 GLN H 3.700 . 5.400 4.667 4.667 4.667 . 0 0 "[ ]" 1
326 1 16 THR HB 1 16 THR HG1 3.000 . 4.100 1.915 1.915 1.915 . 0 0 "[ ]" 1
327 1 16 THR HB 1 17 VAL H 3.700 . 5.500 2.763 2.763 2.763 . 0 0 "[ ]" 1
328 1 16 THR HB 1 17 VAL MG1 4.700 . 6.000 3.553 3.553 3.553 . 0 0 "[ ]" 1
329 1 16 THR HB 1 17 VAL MG2 4.600 . 6.000 3.124 3.124 3.124 . 0 0 "[ ]" 1
330 1 16 THR HG1 1 17 VAL H 3.700 . 5.400 3.442 3.442 3.442 . 0 0 "[ ]" 1
331 1 16 THR HG1 1 17 VAL HA 4.100 . 6.000 3.982 3.982 3.982 . 0 0 "[ ]" 1
332 1 16 THR HG1 1 17 VAL MG1 4.700 . 6.000 5.134 5.134 5.134 . 0 0 "[ ]" 1
333 1 16 THR HG1 1 18 ALA H 5.300 . 6.000 4.808 4.808 4.808 . 0 0 "[ ]" 1
334 1 16 THR HG1 1 19 LYS H 4.400 . 6.000 4.389 4.389 4.389 . 0 0 "[ ]" 1
335 1 16 THR HG1 1 20 GLN H 4.400 . 6.000 4.331 4.331 4.331 . 0 0 "[ ]" 1
336 1 16 THR HG1 1 20 GLN HE21 3.100 . 4.300 3.217 3.217 3.217 . 0 0 "[ ]" 1
337 1 16 THR HG1 1 20 GLN HG3 3.400 . 4.900 2.431 2.431 2.431 . 0 0 "[ ]" 1
338 1 16 THR HG1 1 20 GLN HG3 2.700 . 3.600 2.477 2.477 2.477 . 0 0 "[ ]" 1
339 1 16 THR MG 1 17 VAL HA 4.100 . 6.000 4.044 4.044 4.044 . 0 0 "[ ]" 1
340 1 16 THR MG 1 17 VAL HB 5.000 . 6.000 5.826 5.826 5.826 . 0 0 "[ ]" 1
341 1 16 THR MG 1 19 LYS H 5.200 . 6.000 4.458 4.458 4.458 . 0 0 "[ ]" 1
342 1 16 THR MG 1 19 LYS HB2 4.800 . 6.000 4.614 4.614 4.614 . 0 0 "[ ]" 1
343 1 16 THR MG 1 20 GLN H 4.300 . 6.000 4.364 4.364 4.364 . 0 0 "[ ]" 1
344 1 16 THR MG 1 20 GLN HB2 4.300 . 6.000 4.192 4.192 4.192 . 0 0 "[ ]" 1
345 1 17 VAL H 1 17 VAL HA 2.800 . 3.800 2.824 2.824 2.824 . 0 0 "[ ]" 1
346 1 17 VAL H 1 17 VAL HB 2.600 . 3.400 2.641 2.641 2.641 . 0 0 "[ ]" 1
347 1 17 VAL H 1 17 VAL MG1 3.800 . 5.600 3.767 3.767 3.767 . 0 0 "[ ]" 1
348 1 17 VAL H 1 17 VAL MG2 2.600 . 3.500 1.868 1.868 1.868 . 0 0 "[ ]" 1
349 1 17 VAL H 1 18 ALA H 2.600 . 3.400 2.600 2.600 2.600 . 0 0 "[ ]" 1
350 1 17 VAL H 1 18 ALA HA 5.500 . 6.000 5.194 5.194 5.194 . 0 0 "[ ]" 1
351 1 17 VAL H 1 18 ALA HA 5.200 . 6.000 5.071 5.071 5.071 . 0 0 "[ ]" 1
352 1 17 VAL H 1 18 ALA MB 4.400 . 6.000 4.185 4.185 4.185 . 0 0 "[ ]" 1
353 1 17 VAL H 1 19 LYS H 3.500 . 5.000 4.208 4.208 4.208 . 0 0 "[ ]" 1
354 1 17 VAL H 1 20 GLN H 3.200 . 6.000 4.717 4.717 4.717 . 0 0 "[ ]" 1
355 1 17 VAL HA 1 17 VAL MG1 2.600 . 3.400 2.225 2.225 2.225 . 0 0 "[ ]" 1
356 1 17 VAL HA 1 17 VAL MG2 2.600 . 3.500 2.506 2.506 2.506 . 0 0 "[ ]" 1
357 1 17 VAL HA 1 18 ALA H 3.500 . 5.000 3.502 3.502 3.502 . 0 0 "[ ]" 1
358 1 17 VAL HA 1 18 ALA HA 4.400 . 6.000 4.452 4.452 4.452 . 0 0 "[ ]" 1
359 1 17 VAL HA 1 18 ALA MB 5.900 . 6.000 4.978 4.978 4.978 . 0 0 "[ ]" 1
360 1 17 VAL HA 1 19 LYS H 3.800 . 5.600 3.950 3.950 3.950 . 0 0 "[ ]" 1
361 1 17 VAL HA 1 20 GLN H 3.000 . 4.200 3.013 3.013 3.013 . 0 0 "[ ]" 1
362 1 17 VAL HA 1 20 GLN HA 5.200 . 6.000 5.093 5.093 5.093 . 0 0 "[ ]" 1
363 1 17 VAL HA 1 20 GLN HB2 3.600 . 5.200 2.656 2.656 2.656 . 0 0 "[ ]" 1
364 1 17 VAL HA 1 20 GLN HB3 4.800 . 6.000 4.414 4.414 4.414 . 0 0 "[ ]" 1
365 1 17 VAL HA 1 20 GLN QG 3.400 . 4.900 3.256 3.256 3.256 . 0 0 "[ ]" 1
366 1 17 VAL HA 1 21 ALA H 3.900 . 5.800 5.480 5.480 5.480 . 0 0 "[ ]" 1
367 1 17 VAL HB 1 17 VAL MG2 2.200 . 2.800 2.122 2.122 2.122 . 0 0 "[ ]" 1
368 1 17 VAL HB 1 18 ALA H 2.200 . 2.800 2.804 2.804 2.804 0.004 1 0 "[ ]" 1
369 1 17 VAL MG1 1 18 ALA H 3.800 . 5.600 3.768 3.768 3.768 . 0 0 "[ ]" 1
370 1 17 VAL MG1 1 18 ALA HA 4.500 . 6.000 3.357 3.357 3.357 . 0 0 "[ ]" 1
371 1 17 VAL MG1 1 20 GLN H 3.700 . 5.400 2.037 2.037 2.037 . 0 0 "[ ]" 1
372 1 17 VAL MG1 1 20 GLN H 3.500 . 5.000 2.031 2.031 2.031 . 0 0 "[ ]" 1
373 1 17 VAL MG2 1 18 ALA H 4.500 . 6.000 3.764 3.764 3.764 . 0 0 "[ ]" 1
374 1 17 VAL MG2 1 18 ALA MB 5.400 . 6.000 4.918 4.918 4.918 . 0 0 "[ ]" 1
375 1 18 ALA H 1 18 ALA MB 2.300 . 3.000 2.090 2.090 2.090 . 0 0 "[ ]" 1
376 1 18 ALA H 1 19 LYS H 2.700 . 3.600 2.691 2.691 2.691 . 0 0 "[ ]" 1
377 1 18 ALA H 1 20 GLN QG 2.400 . 6.000 5.183 5.183 5.183 . 0 0 "[ ]" 1
378 1 18 ALA HA 1 18 ALA MB 2.000 . 2.500 1.963 1.963 1.963 . 0 0 "[ ]" 1
379 1 18 ALA HA 1 19 LYS H 2.700 . 3.600 2.773 2.773 2.773 . 0 0 "[ ]" 1
380 1 18 ALA MB 1 19 LYS H 2.800 . 3.800 2.782 2.782 2.782 . 0 0 "[ ]" 1
381 1 18 ALA MB 1 21 ALA H 2.400 . 6.000 4.681 4.681 4.681 . 0 0 "[ ]" 1
382 1 19 LYS H 1 19 LYS HB2 2.200 . 2.800 2.498 2.498 2.498 . 0 0 "[ ]" 1
383 1 19 LYS H 1 19 LYS QD 4.600 . 6.000 4.463 4.463 4.463 . 0 0 "[ ]" 1
384 1 19 LYS H 1 20 GLN H 2.100 . 2.600 2.254 2.254 2.254 . 0 0 "[ ]" 1
385 1 19 LYS H 1 20 GLN HB2 5.100 . 6.000 4.761 4.761 4.761 . 0 0 "[ ]" 1
386 1 19 LYS H 1 20 GLN QG 4.800 . 6.000 3.771 3.771 3.771 . 0 0 "[ ]" 1
387 1 19 LYS H 1 21 ALA H 4.300 . 6.000 4.890 4.890 4.890 . 0 0 "[ ]" 1
388 1 19 LYS HA 1 19 LYS HB2 2.800 . 3.800 2.589 2.589 2.589 . 0 0 "[ ]" 1
389 1 19 LYS HA 1 19 LYS HB3 2.400 . 3.100 3.005 3.005 3.005 . 0 0 "[ ]" 1
390 1 19 LYS HA 1 19 LYS QD 4.300 . 6.000 4.027 4.027 4.027 . 0 0 "[ ]" 1
391 1 19 LYS HA 1 19 LYS QE 5.800 . 6.000 4.876 4.876 4.876 . 0 0 "[ ]" 1
392 1 19 LYS HA 1 20 GLN H 2.400 . 3.100 2.740 2.740 2.740 . 0 0 "[ ]" 1
393 1 19 LYS HA 1 20 GLN HB3 3.100 . 4.300 3.875 3.875 3.875 . 0 0 "[ ]" 1
394 1 19 LYS HB2 1 19 LYS QD 2.900 . 3.900 2.620 2.620 2.620 . 0 0 "[ ]" 1
395 1 19 LYS HB2 1 19 LYS QG 2.600 . 3.400 2.231 2.231 2.231 . 0 0 "[ ]" 1
396 1 19 LYS HB2 1 20 GLN H 3.000 . 4.100 3.878 3.878 3.878 . 0 0 "[ ]" 1
397 1 19 LYS HB3 1 20 GLN HG2 3.000 . 4.100 2.664 2.664 2.664 . 0 0 "[ ]" 1
398 1 19 LYS HB3 1 19 LYS QD 1.800 . 2.200 2.125 2.125 2.125 . 0 0 "[ ]" 1
399 1 19 LYS HB3 1 19 LYS HE3 4.300 . 6.000 2.585 2.585 2.585 . 0 0 "[ ]" 1
400 1 19 LYS HB3 1 20 GLN H 2.600 . 3.400 2.975 2.975 2.975 . 0 0 "[ ]" 1
401 1 19 LYS HB3 1 20 GLN HA 4.800 . 6.000 3.459 3.459 3.459 . 0 0 "[ ]" 1
402 1 19 LYS HB3 1 20 GLN HB3 3.100 . 4.300 2.015 2.015 2.015 . 0 0 "[ ]" 1
403 1 19 LYS HB3 1 20 GLN HB3 2.700 . 3.600 2.018 2.018 2.018 . 0 0 "[ ]" 1
404 1 19 LYS HB3 1 20 GLN QG 2.200 . 2.800 2.667 2.667 2.667 . 0 0 "[ ]" 1
405 1 19 LYS HB3 1 21 ALA H 4.700 . 6.000 4.682 4.682 4.682 . 0 0 "[ ]" 1
406 1 19 LYS QD 1 19 LYS HE2 2.200 . 2.700 1.946 1.946 1.946 . 0 0 "[ ]" 1
407 1 19 LYS QD 1 20 GLN H 3.900 . 5.800 4.734 4.734 4.734 . 0 0 "[ ]" 1
408 1 20 GLN H 1 20 GLN HA 2.800 . 3.800 2.936 2.936 2.936 . 0 0 "[ ]" 1
409 1 20 GLN H 1 20 GLN HB2 3.100 . 4.300 2.710 2.710 2.710 . 0 0 "[ ]" 1
410 1 20 GLN H 1 20 GLN HE22 2.900 . 6.000 4.945 4.945 4.945 . 0 0 "[ ]" 1
411 1 20 GLN H 1 20 GLN QG 2.700 . 3.600 2.458 2.458 2.458 . 0 0 "[ ]" 1
412 1 20 GLN H 1 21 ALA H 2.700 . 3.600 3.369 3.369 3.369 . 0 0 "[ ]" 1
413 1 20 GLN HA 1 20 GLN HB2 2.700 . 3.600 3.012 3.012 3.012 . 0 0 "[ ]" 1
414 1 20 GLN HA 1 20 GLN QG 3.300 . 4.600 2.626 2.626 2.626 . 0 0 "[ ]" 1
415 1 20 GLN HA 1 21 ALA H 3.100 . 4.300 2.572 2.572 2.572 . 0 0 "[ ]" 1
416 1 20 GLN HA 1 23 LYS H 2.800 . 3.800 3.798 3.798 3.798 . 0 0 "[ ]" 1
417 1 20 GLN HB2 1 20 GLN QG 2.300 . 2.900 2.137 2.137 2.137 . 0 0 "[ ]" 1
418 1 20 GLN HB2 1 21 ALA H 3.900 . 5.800 4.354 4.354 4.354 . 0 0 "[ ]" 1
419 1 20 GLN HB3 1 20 GLN HE21 4.300 . 6.000 4.222 4.222 4.222 . 0 0 "[ ]" 1
420 1 20 GLN HB3 1 20 GLN HG3 2.100 . 2.600 2.031 2.031 2.031 . 0 0 "[ ]" 1
421 1 20 GLN HB3 1 21 ALA H 3.900 . 5.800 4.420 4.420 4.420 . 0 0 "[ ]" 1
422 1 20 GLN HB3 1 21 ALA MB 3.500 . 5.000 2.374 2.374 2.374 . 0 0 "[ ]" 1
423 1 20 GLN HB3 1 21 ALA MB 3.300 . 4.700 2.943 2.943 2.943 . 0 0 "[ ]" 1
424 1 20 GLN HE21 1 20 GLN QG 3.000 . 4.100 2.207 2.207 2.207 . 0 0 "[ ]" 1
425 1 20 GLN QG 1 21 ALA H 4.700 . 6.000 4.505 4.505 4.505 . 0 0 "[ ]" 1
426 1 20 GLN HG2 1 21 ALA H 4.000 . 6.000 4.738 4.738 4.738 . 0 0 "[ ]" 1
427 1 21 ALA H 1 21 ALA HA 2.800 . 3.800 2.894 2.894 2.894 . 0 0 "[ ]" 1
428 1 21 ALA H 1 21 ALA MB 2.500 . 3.300 2.115 2.115 2.115 . 0 0 "[ ]" 1
429 1 21 ALA H 1 22 ALA H 2.700 . 3.600 2.470 2.470 2.470 . 0 0 "[ ]" 1
430 1 21 ALA H 1 23 LYS QB 4.800 . 6.000 5.189 5.189 5.189 . 0 0 "[ ]" 1
431 1 21 ALA HA 1 21 ALA MB 2.300 . 3.000 2.091 2.091 2.091 . 0 0 "[ ]" 1
432 1 21 ALA MB 1 22 ALA H 2.500 . 3.300 3.296 3.296 3.296 . 0 0 "[ ]" 1
433 1 21 ALA MB 1 23 LYS H 2.000 . 2.500 2.395 2.395 2.395 . 0 0 "[ ]" 1
434 1 22 ALA H 1 22 ALA MB 2.600 . 3.500 2.493 2.493 2.493 . 0 0 "[ ]" 1
435 1 22 ALA H 1 23 LYS H 2.600 . 3.500 2.168 2.168 2.168 . 0 0 "[ ]" 1
436 1 22 ALA H 1 23 LYS HD3 5.000 . 6.000 4.243 4.243 4.243 . 0 0 "[ ]" 1
437 1 22 ALA H 1 25 GLY HA2 4.200 . 6.000 4.492 4.492 4.492 . 0 0 "[ ]" 1
438 1 22 ALA HA 1 22 ALA MB 2.200 . 2.800 2.115 2.115 2.115 . 0 0 "[ ]" 1
439 1 22 ALA MB 1 23 LYS H 3.200 . 4.500 3.443 3.443 3.443 . 0 0 "[ ]" 1
440 1 23 LYS H 1 23 LYS HA 2.600 . 3.400 2.823 2.823 2.823 . 0 0 "[ ]" 1
441 1 23 LYS H 1 23 LYS QB 2.600 . 3.400 2.463 2.463 2.463 . 0 0 "[ ]" 1
442 1 23 LYS H 1 23 LYS QG 4.500 . 6.000 2.403 2.403 2.403 . 0 0 "[ ]" 1
443 1 23 LYS H 1 24 GLN H 2.300 . 3.000 2.590 2.590 2.590 . 0 0 "[ ]" 1
444 1 23 LYS H 1 25 GLY H 4.100 . 6.000 3.770 3.770 3.770 . 0 0 "[ ]" 1
445 1 23 LYS HA 1 23 LYS QB 2.100 . 2.700 2.180 2.180 2.180 . 0 0 "[ ]" 1
446 1 23 LYS HA 1 23 LYS HD3 4.300 . 6.000 4.231 4.231 4.231 . 0 0 "[ ]" 1
447 1 23 LYS HA 1 23 LYS QE 3.000 . 6.000 4.873 4.873 4.873 . 0 0 "[ ]" 1
448 1 23 LYS HA 1 24 GLN QG 4.900 . 6.000 5.187 5.187 5.187 . 0 0 "[ ]" 1
449 1 23 LYS HA 1 25 GLY H 3.900 . 5.800 4.197 4.197 4.197 . 0 0 "[ ]" 1
450 1 23 LYS HA 1 26 ALA H 2.400 . 6.000 5.227 5.227 5.227 . 0 0 "[ ]" 1
451 1 23 LYS QB 1 23 LYS QG 2.900 . 3.900 2.037 2.037 2.037 . 0 0 "[ ]" 1
452 1 23 LYS QB 1 25 GLY H 5.100 . 6.000 4.980 4.980 4.980 . 0 0 "[ ]" 1
453 1 23 LYS QG 1 25 GLY H 3.900 . 5.800 4.082 4.082 4.082 . 0 0 "[ ]" 1
454 1 24 GLN H 1 24 GLN QB 2.300 . 2.900 2.466 2.466 2.466 . 0 0 "[ ]" 1
455 1 24 GLN H 1 24 GLN QG 3.300 . 4.700 3.818 3.818 3.818 . 0 0 "[ ]" 1
456 1 24 GLN H 1 25 GLY H 2.400 . 3.100 2.033 2.033 2.033 . 0 0 "[ ]" 1
457 1 24 GLN HA 1 24 GLN QG 2.800 . 3.800 2.208 2.208 2.208 . 0 0 "[ ]" 1
458 1 24 GLN HA 1 25 GLY H 3.500 . 5.000 3.161 3.161 3.161 . 0 0 "[ ]" 1
459 1 24 GLN HA 1 25 GLY HA2 4.600 . 6.000 3.766 3.766 3.766 . 0 0 "[ ]" 1
460 1 24 GLN QB 1 25 GLY H 3.300 . 4.600 3.551 3.551 3.551 . 0 0 "[ ]" 1
461 1 24 GLN QB 1 26 ALA H 4.300 . 6.000 4.830 4.830 4.830 . 0 0 "[ ]" 1
462 1 24 GLN HE21 1 24 GLN QG 3.400 . 4.900 2.136 2.136 2.136 . 0 0 "[ ]" 1
463 1 24 GLN QG 1 25 GLY H 4.300 . 6.000 4.668 4.668 4.668 . 0 0 "[ ]" 1
464 1 25 GLY H 1 25 GLY HA3 2.600 . 3.400 2.307 2.307 2.307 . 0 0 "[ ]" 1
465 1 25 GLY H 1 26 ALA H 3.200 . 4.500 2.509 2.509 2.509 . 0 0 "[ ]" 1
466 1 25 GLY H 1 26 ALA MB 4.200 . 6.000 4.402 4.402 4.402 . 0 0 "[ ]" 1
467 1 26 ALA H 1 26 ALA HA 2.900 . 3.900 2.918 2.918 2.918 . 0 0 "[ ]" 1
468 1 26 ALA H 1 26 ALA MB 2.800 . 3.800 2.591 2.591 2.591 . 0 0 "[ ]" 1
469 1 26 ALA H 1 27 LYS H 2.900 . 3.900 3.645 3.645 3.645 . 0 0 "[ ]" 1
470 1 26 ALA HA 1 27 LYS H 2.800 . 3.800 2.242 2.242 2.242 . 0 0 "[ ]" 1
471 1 26 ALA HA 1 27 LYS QB 3.100 . 4.300 4.299 4.299 4.299 . 0 0 "[ ]" 1
472 1 26 ALA HA 1 28 TYR H 4.700 . 6.000 3.741 3.741 3.741 . 0 0 "[ ]" 1
473 1 26 ALA HA 1 29 VAL MG1 5.000 . 6.000 4.125 4.125 4.125 . 0 0 "[ ]" 1
474 1 26 ALA MB 1 27 LYS H 3.400 . 4.900 3.376 3.376 3.376 . 0 0 "[ ]" 1
475 1 26 ALA MB 1 28 TYR H 4.600 . 6.000 3.813 3.813 3.813 . 0 0 "[ ]" 1
476 1 27 LYS H 1 27 LYS HA 2.600 . 3.400 2.934 2.934 2.934 . 0 0 "[ ]" 1
477 1 27 LYS H 1 27 LYS HA 2.900 . 3.900 2.831 2.831 2.831 . 0 0 "[ ]" 1
478 1 27 LYS HA 1 27 LYS QB 2.400 . 3.100 2.413 2.413 2.413 . 0 0 "[ ]" 1
479 1 27 LYS HA 1 28 TYR H 2.900 . 4.000 3.507 3.507 3.507 . 0 0 "[ ]" 1
480 1 27 LYS HA 1 30 VAL HB 3.300 . 4.600 3.679 3.679 3.679 . 0 0 "[ ]" 1
481 1 27 LYS HA 1 31 ASN H 4.100 . 6.000 4.463 4.463 4.463 . 0 0 "[ ]" 1
482 1 27 LYS QB 1 28 TYR H 3.300 . 4.700 2.718 2.718 2.718 . 0 0 "[ ]" 1
483 1 27 LYS QD 1 28 TYR H 2.500 . 6.000 5.180 5.180 5.180 . 0 0 "[ ]" 1
484 1 27 LYS QG 1 28 TYR H 5.000 . 6.000 3.990 3.990 3.990 . 0 0 "[ ]" 1
485 1 28 TYR H 1 28 TYR HA 2.900 . 3.900 2.916 2.916 2.916 . 0 0 "[ ]" 1
486 1 28 TYR H 1 28 TYR HB2 2.500 . 3.300 2.214 2.214 2.214 . 0 0 "[ ]" 1
487 1 28 TYR H 1 28 TYR HB3 3.300 . 4.600 3.219 3.219 3.219 . 0 0 "[ ]" 1
488 1 28 TYR H 1 30 VAL MG1 2.700 . 6.000 4.145 4.145 4.145 . 0 0 "[ ]" 1
489 1 28 TYR HA 1 30 VAL H 3.000 . 4.100 2.803 2.803 2.803 . 0 0 "[ ]" 1
490 1 28 TYR HA 1 31 ASN HB2 3.600 . 5.200 5.098 5.098 5.098 . 0 0 "[ ]" 1
491 1 28 TYR HA 1 31 ASN HB3 4.200 . 6.000 4.617 4.617 4.617 . 0 0 "[ ]" 1
492 1 28 TYR HB3 1 29 VAL H 3.900 . 5.800 3.883 3.883 3.883 . 0 0 "[ ]" 1
493 1 28 TYR QE 1 32 LYS QD 3.500 . 5.100 4.965 4.965 4.965 . 0 0 "[ ]" 1
494 1 28 TYR QE 1 32 LYS QG 4.300 . 6.000 5.445 5.445 5.445 . 0 0 "[ ]" 1
495 1 29 VAL H 1 29 VAL HA 2.900 . 3.900 2.945 2.945 2.945 . 0 0 "[ ]" 1
496 1 29 VAL H 1 29 VAL HB 2.900 . 3.900 3.801 3.801 3.801 . 0 0 "[ ]" 1
497 1 29 VAL H 1 29 VAL MG1 3.000 . 4.100 3.059 3.059 3.059 . 0 0 "[ ]" 1
498 1 29 VAL H 1 29 VAL MG2 3.100 . 4.300 2.147 2.147 2.147 . 0 0 "[ ]" 1
499 1 29 VAL H 1 30 VAL H 2.400 . 3.100 1.787 1.787 1.787 . 0 0 "[ ]" 1
500 1 29 VAL H 1 30 VAL HA 5.000 . 6.000 4.501 4.501 4.501 . 0 0 "[ ]" 1
501 1 29 VAL H 1 30 VAL MG1 5.000 . 6.000 3.075 3.075 3.075 . 0 0 "[ ]" 1
502 1 29 VAL H 1 31 ASN H 3.400 . 4.800 3.398 3.398 3.398 . 0 0 "[ ]" 1
503 1 29 VAL HA 1 29 VAL HB 2.900 . 3.900 2.479 2.479 2.479 . 0 0 "[ ]" 1
504 1 29 VAL HA 1 29 VAL MG1 2.700 . 3.600 2.234 2.234 2.234 . 0 0 "[ ]" 1
505 1 29 VAL HA 1 29 VAL MG2 3.000 . 4.100 3.204 3.204 3.204 . 0 0 "[ ]" 1
506 1 29 VAL HA 1 30 VAL H 3.300 . 4.600 3.444 3.444 3.444 . 0 0 "[ ]" 1
507 1 29 VAL HA 1 30 VAL MG1 5.400 . 6.000 4.749 4.749 4.749 . 0 0 "[ ]" 1
508 1 29 VAL HA 1 31 ASN H 3.400 . 4.900 2.981 2.981 2.981 . 0 0 "[ ]" 1
509 1 29 VAL HA 1 32 LYS HB2 2.800 . 3.800 2.053 2.053 2.053 . 0 0 "[ ]" 1
510 1 29 VAL HA 1 32 LYS HB3 2.700 . 3.600 3.170 3.170 3.170 . 0 0 "[ ]" 1
511 1 29 VAL HA 1 32 LYS QG 5.400 . 6.000 3.896 3.896 3.896 . 0 0 "[ ]" 1
512 1 29 VAL HA 1 33 GLN H 4.600 . 6.000 3.865 3.865 3.865 . 0 0 "[ ]" 1
513 1 29 VAL MG1 1 29 VAL MG2 2.500 . 3.300 2.056 2.056 2.056 . 0 0 "[ ]" 1
514 1 29 VAL MG1 1 30 VAL H 4.000 . 6.000 4.093 4.093 4.093 . 0 0 "[ ]" 1
515 1 29 VAL MG1 1 30 VAL HA 4.800 . 6.000 5.459 5.459 5.459 . 0 0 "[ ]" 1
516 1 29 VAL MG1 1 31 ASN H 3.300 . 4.600 4.524 4.524 4.524 . 0 0 "[ ]" 1
517 1 29 VAL MG1 1 32 LYS HB3 2.900 . 6.000 4.371 4.371 4.371 . 0 0 "[ ]" 1
518 1 29 VAL MG2 1 31 ASN H 3.800 . 5.600 3.374 3.374 3.374 . 0 0 "[ ]" 1
519 1 29 VAL MG2 1 33 GLN H 3.900 . 5.800 4.514 4.514 4.514 . 0 0 "[ ]" 1
520 1 29 VAL MG2 1 33 GLN HE21 4.800 . 6.000 4.749 4.749 4.749 . 0 0 "[ ]" 1
521 1 29 VAL MG2 1 33 GLN HE22 4.900 . 6.000 5.244 5.244 5.244 . 0 0 "[ ]" 1
522 1 30 VAL H 1 30 VAL HA 2.900 . 3.900 2.841 2.841 2.841 . 0 0 "[ ]" 1
523 1 30 VAL H 1 30 VAL HB 2.500 . 3.300 2.616 2.616 2.616 . 0 0 "[ ]" 1
524 1 30 VAL H 1 31 ASN HB2 4.800 . 6.000 4.769 4.769 4.769 . 0 0 "[ ]" 1
525 1 30 VAL H 1 31 ASN HB3 5.700 . 6.000 5.149 5.149 5.149 . 0 0 "[ ]" 1
526 1 30 VAL HA 1 30 VAL MG1 2.800 . 3.800 3.196 3.196 3.196 . 0 0 "[ ]" 1
527 1 30 VAL HA 1 30 VAL MG2 2.800 . 3.800 2.361 2.361 2.361 . 0 0 "[ ]" 1
528 1 30 VAL HA 1 31 ASN H 2.700 . 3.600 3.344 3.344 3.344 . 0 0 "[ ]" 1
529 1 30 VAL HA 1 33 GLN H 3.400 . 4.900 3.881 3.881 3.881 . 0 0 "[ ]" 1
530 1 30 VAL HA 1 33 GLN QB 2.800 . 3.800 3.326 3.326 3.326 . 0 0 "[ ]" 1
531 1 30 VAL HA 1 33 GLN QG 4.300 . 6.000 5.143 5.143 5.143 . 0 0 "[ ]" 1
532 1 30 VAL HB 1 30 VAL MG1 2.400 . 3.100 2.102 2.102 2.102 . 0 0 "[ ]" 1
533 1 30 VAL HB 1 30 VAL MG2 2.400 . 3.100 2.129 2.129 2.129 . 0 0 "[ ]" 1
534 1 30 VAL HB 1 31 ASN H 3.100 . 4.300 4.009 4.009 4.009 . 0 0 "[ ]" 1
535 1 30 VAL HB 1 31 ASN H 3.100 . 4.300 3.927 3.927 3.927 . 0 0 "[ ]" 1
536 1 30 VAL MG2 1 31 ASN H 3.600 . 5.200 3.668 3.668 3.668 . 0 0 "[ ]" 1
537 1 31 ASN H 1 31 ASN HA 3.100 . 4.300 2.763 2.763 2.763 . 0 0 "[ ]" 1
538 1 31 ASN H 1 31 ASN HB2 2.400 . 3.100 2.482 2.482 2.482 . 0 0 "[ ]" 1
539 1 31 ASN H 1 31 ASN HB3 3.200 . 4.500 2.593 2.593 2.593 . 0 0 "[ ]" 1
540 1 31 ASN H 1 31 ASN HD21 4.600 . 6.000 4.757 4.757 4.757 . 0 0 "[ ]" 1
541 1 31 ASN H 1 32 LYS HG3 4.300 . 6.000 3.341 3.341 3.341 . 0 0 "[ ]" 1
542 1 31 ASN H 1 32 LYS HB2 1.800 . 2.200 2.091 2.091 2.091 . 0 0 "[ ]" 1
543 1 31 ASN H 1 32 LYS HB3 2.800 . 3.800 3.276 3.276 3.276 . 0 0 "[ ]" 1
544 1 31 ASN H 1 33 GLN H 2.600 . 3.500 2.409 2.409 2.409 . 0 0 "[ ]" 1
545 1 31 ASN HB2 1 31 ASN HD21 3.600 . 5.200 3.450 3.450 3.450 . 0 0 "[ ]" 1
546 1 31 ASN HB3 1 31 ASN HD21 3.800 . 5.600 2.218 2.218 2.218 . 0 0 "[ ]" 1
547 1 32 LYS H 1 32 LYS QD 5.200 . 6.000 4.350 4.350 4.350 . 0 0 "[ ]" 1
548 1 32 LYS H 1 32 LYS QG 4.000 . 6.000 3.382 3.382 3.382 . 0 0 "[ ]" 1
549 1 32 LYS HA 1 32 LYS HB2 2.600 . 3.400 2.888 2.888 2.888 . 0 0 "[ ]" 1
550 1 32 LYS HA 1 32 LYS HB3 2.700 . 3.600 2.808 2.808 2.808 . 0 0 "[ ]" 1
551 1 32 LYS HA 1 32 LYS QD 3.700 . 5.400 3.952 3.952 3.952 . 0 0 "[ ]" 1
552 1 32 LYS HA 1 32 LYS QG 3.600 . 5.200 2.182 2.182 2.182 . 0 0 "[ ]" 1
553 1 32 LYS HA 1 33 GLN H 3.200 . 4.500 3.498 3.498 3.498 . 0 0 "[ ]" 1
554 1 32 LYS HA 1 35 GLU H 3.400 . 4.900 3.420 3.420 3.420 . 0 0 "[ ]" 1
555 1 32 LYS HB2 1 33 GLN H 3.300 . 4.700 3.211 3.211 3.211 . 0 0 "[ ]" 1
556 1 32 LYS HB3 1 32 LYS QD 2.600 . 3.500 2.154 2.154 2.154 . 0 0 "[ ]" 1
557 1 32 LYS HB3 1 32 LYS QG 2.100 . 2.600 2.406 2.406 2.406 . 0 0 "[ ]" 1
558 1 32 LYS HB3 1 33 GLN H 2.900 . 4.000 3.213 3.213 3.213 . 0 0 "[ ]" 1
559 1 32 LYS QG 1 33 GLN H 3.800 . 5.600 4.500 4.500 4.500 . 0 0 "[ ]" 1
560 1 33 GLN H 1 33 GLN QB 2.200 . 2.800 2.074 2.074 2.074 . 0 0 "[ ]" 1
561 1 33 GLN H 1 33 GLN QG 3.900 . 5.800 3.631 3.631 3.631 . 0 0 "[ ]" 1
562 1 33 GLN HA 1 33 GLN QG 4.800 . 6.000 2.220 2.220 2.220 . 0 0 "[ ]" 1
563 1 33 GLN HA 1 34 MET H 2.700 . 3.600 3.487 3.487 3.487 . 0 0 "[ ]" 1
564 1 33 GLN QB 1 33 GLN QG 2.800 . 3.700 2.078 2.078 2.078 . 0 0 "[ ]" 1
565 1 34 MET H 1 34 MET QB 2.900 . 4.000 2.054 2.054 2.054 . 0 0 "[ ]" 1
566 1 34 MET H 1 34 MET HG2 3.800 . 5.600 3.718 3.718 3.718 . 0 0 "[ ]" 1
567 1 34 MET H 1 34 MET HG3 4.200 . 6.000 3.762 3.762 3.762 . 0 0 "[ ]" 1
568 1 34 MET H 1 35 GLU H 2.100 . 2.700 2.563 2.563 2.563 . 0 0 "[ ]" 1
569 1 34 MET HA 1 34 MET QB 2.900 . 3.900 2.537 2.537 2.537 . 0 0 "[ ]" 1
570 1 34 MET HA 1 34 MET HG2 3.800 . 5.700 2.052 2.052 2.052 . 0 0 "[ ]" 1
571 1 34 MET HA 1 34 MET HG3 3.600 . 5.200 3.382 3.382 3.382 . 0 0 "[ ]" 1
572 1 34 MET QB 1 34 MET HG3 3.200 . 4.500 2.127 2.127 2.127 . 0 0 "[ ]" 1
573 1 34 MET HG3 1 35 GLU H 3.500 . 5.100 3.099 3.099 3.099 . 0 0 "[ ]" 1
574 1 35 GLU H 1 35 GLU HA 2.500 . 3.300 2.806 2.806 2.806 . 0 0 "[ ]" 1
575 1 35 GLU H 1 35 GLU HB3 3.100 . 4.300 3.486 3.486 3.486 . 0 0 "[ ]" 1
576 1 35 GLU H 1 35 GLU HG3 4.000 . 6.000 3.506 3.506 3.506 . 0 0 "[ ]" 1
577 1 35 GLU HA 1 35 GLU HB2 2.900 . 3.900 2.969 2.969 2.969 . 0 0 "[ ]" 1
578 1 35 GLU HA 1 35 GLU HG2 3.700 . 5.400 2.234 2.234 2.234 . 0 0 "[ ]" 1
579 1 35 GLU HA 1 35 GLU HG3 3.600 . 5.200 3.541 3.541 3.541 . 0 0 "[ ]" 1
580 1 35 GLU HB2 1 35 GLU HG2 2.700 . 3.600 2.732 2.732 2.732 . 0 0 "[ ]" 1
581 1 35 GLU HB3 1 35 GLU HG3 2.900 . 4.000 2.726 2.726 2.726 . 0 0 "[ ]" 1
stop_
save_