NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
382871 |
1jok   |
cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1jok
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 1736
_Distance_constraint_stats_list.Viol_count 39
_Distance_constraint_stats_list.Viol_total 0.899
_Distance_constraint_stats_list.Viol_max 0.075
_Distance_constraint_stats_list.Viol_rms 0.0045
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0005
_Distance_constraint_stats_list.Viol_average_violations_only 0.0230
_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 7 LEU 0.000 0.000 . 0 "[ ]"
1 8 HIS 0.000 0.000 . 0 "[ ]"
1 9 LYS 0.000 0.000 . 0 "[ ]"
1 10 GLU 0.000 0.000 . 0 "[ ]"
1 11 PRO 0.053 0.046 1 0 "[ ]"
1 12 ALA 0.062 0.046 1 0 "[ ]"
1 13 THR 0.022 0.022 1 0 "[ ]"
1 14 LEU 0.000 0.000 . 0 "[ ]"
1 15 ILE 0.000 0.000 . 0 "[ ]"
1 16 LYS 0.006 0.006 1 0 "[ ]"
1 17 ALA 0.000 0.000 . 0 "[ ]"
1 18 ILE 0.007 0.007 1 0 "[ ]"
1 19 ASP 0.000 0.000 . 0 "[ ]"
1 20 GLY 0.000 0.000 . 0 "[ ]"
1 21 ASP 0.000 0.000 . 0 "[ ]"
1 22 THR 0.000 0.000 . 0 "[ ]"
1 23 VAL 0.011 0.011 1 0 "[ ]"
1 24 LYS 0.024 0.011 1 0 "[ ]"
1 25 LEU 0.028 0.022 1 0 "[ ]"
1 26 MET 0.000 0.000 . 0 "[ ]"
1 27 TYR 0.010 0.010 1 0 "[ ]"
1 28 LYS 0.033 0.033 1 0 "[ ]"
1 29 GLY 0.000 0.000 . 0 "[ ]"
1 30 GLN 0.048 0.038 1 0 "[ ]"
1 31 PRO 0.000 0.000 . 0 "[ ]"
1 32 MET 0.007 0.007 1 0 "[ ]"
1 33 THR 0.000 0.000 . 0 "[ ]"
1 34 PHE 0.027 0.019 1 0 "[ ]"
1 35 ARG 0.000 0.000 . 0 "[ ]"
1 36 LEU 0.011 0.011 1 0 "[ ]"
1 37 LEU 0.021 0.021 1 0 "[ ]"
1 38 LEU 0.000 0.000 . 0 "[ ]"
1 39 VAL 0.000 0.000 . 0 "[ ]"
1 40 ASP 0.000 0.000 . 0 "[ ]"
1 41 THR 0.000 0.000 . 0 "[ ]"
1 42 PRO 0.000 0.000 . 0 "[ ]"
1 43 GLU 0.000 0.000 . 0 "[ ]"
1 44 THR 0.000 0.000 . 0 "[ ]"
1 45 LYS 0.000 0.000 . 0 "[ ]"
1 46 HIS 0.075 0.075 1 0 "[ ]"
1 47 PRO 0.000 0.000 . 0 "[ ]"
1 48 LYS 0.000 0.000 . 0 "[ ]"
1 49 LYS 0.000 0.000 . 0 "[ ]"
1 50 GLY 0.000 0.000 . 0 "[ ]"
1 51 VAL 0.000 0.000 . 0 "[ ]"
1 52 GLU 0.000 0.000 . 0 "[ ]"
1 53 LYS 0.000 0.000 . 0 "[ ]"
1 54 TYR 0.000 0.000 . 0 "[ ]"
1 55 GLY 0.000 0.000 . 0 "[ ]"
1 56 PRO 0.000 0.000 . 0 "[ ]"
1 58 ALA 0.000 0.000 . 0 "[ ]"
1 59 SER 0.000 0.000 . 0 "[ ]"
1 60 ALA 0.038 0.038 1 0 "[ ]"
1 61 PHE 0.106 0.069 1 0 "[ ]"
1 62 THR 0.069 0.069 1 0 "[ ]"
1 63 LYS 0.064 0.064 1 0 "[ ]"
1 64 LYS 0.086 0.064 1 0 "[ ]"
1 65 MET 0.071 0.050 1 0 "[ ]"
1 66 VAL 0.050 0.050 1 0 "[ ]"
1 67 GLU 0.018 0.015 1 0 "[ ]"
1 68 ASN 0.018 0.015 1 0 "[ ]"
1 69 ALA 0.000 0.000 . 0 "[ ]"
1 70 LYS 0.000 0.000 . 0 "[ ]"
1 71 LYS 0.000 0.000 . 0 "[ ]"
1 72 ILE 0.000 0.000 . 0 "[ ]"
1 73 GLU 0.007 0.007 1 0 "[ ]"
1 74 VAL 0.016 0.016 1 0 "[ ]"
1 75 GLU 0.001 0.001 1 0 "[ ]"
1 76 PHE 0.015 0.008 1 0 "[ ]"
1 77 ASP 0.000 0.000 . 0 "[ ]"
1 78 LYS 0.000 0.000 . 0 "[ ]"
1 79 GLY 0.000 0.000 . 0 "[ ]"
1 80 GLN 0.000 0.000 . 0 "[ ]"
1 81 ARG 0.000 0.000 . 0 "[ ]"
1 82 THR 0.018 0.018 1 0 "[ ]"
1 83 ASP 0.003 0.003 1 0 "[ ]"
1 84 LYS 0.003 0.003 1 0 "[ ]"
1 85 TYR 0.000 0.000 . 0 "[ ]"
1 86 GLY 0.000 0.000 . 0 "[ ]"
1 87 ARG 0.000 0.000 . 0 "[ ]"
1 88 GLY 0.037 0.019 1 0 "[ ]"
1 89 LEU 0.019 0.012 1 0 "[ ]"
1 90 ALA 0.012 0.012 1 0 "[ ]"
1 91 TYR 0.000 0.000 . 0 "[ ]"
1 92 ILE 0.000 0.000 . 0 "[ ]"
1 93 TYR 0.001 0.001 1 0 "[ ]"
1 94 ALA 0.000 0.000 1 0 "[ ]"
1 95 ASP 0.000 0.000 . 0 "[ ]"
1 96 GLY 0.000 0.000 . 0 "[ ]"
1 97 LYS 0.000 0.000 . 0 "[ ]"
1 98 MET 0.008 0.008 1 0 "[ ]"
1 99 VAL 0.000 0.000 . 0 "[ ]"
1 100 ASN 0.032 0.021 1 0 "[ ]"
1 101 GLU 0.034 0.034 1 0 "[ ]"
1 102 ALA 0.096 0.054 1 0 "[ ]"
1 103 LEU 0.054 0.054 1 0 "[ ]"
1 104 VAL 0.000 0.000 . 0 "[ ]"
1 105 ARG 0.000 0.000 . 0 "[ ]"
1 106 GLN 0.000 0.000 . 0 "[ ]"
1 107 GLY 0.000 0.000 . 0 "[ ]"
1 108 LEU 0.000 0.000 . 0 "[ ]"
1 109 ALA 0.000 0.000 . 0 "[ ]"
1 110 LYS 0.020 0.020 1 0 "[ ]"
1 111 VAL 0.000 0.000 . 0 "[ ]"
1 112 ALA 0.000 0.000 . 0 "[ ]"
1 113 TYR 0.000 0.000 . 0 "[ ]"
1 114 VAL 0.021 0.021 1 0 "[ ]"
1 115 TYR 0.000 0.000 . 0 "[ ]"
1 116 LYS 0.000 0.000 . 0 "[ ]"
1 117 PRO 0.000 0.000 . 0 "[ ]"
1 118 ASN 0.000 0.000 . 0 "[ ]"
1 119 ASN 0.000 0.000 . 0 "[ ]"
1 120 THR 0.000 0.000 . 0 "[ ]"
1 121 HIS 0.000 0.000 . 0 "[ ]"
1 122 GLU 0.000 0.000 . 0 "[ ]"
1 123 GLN 0.000 0.000 . 0 "[ ]"
1 124 LEU 0.000 0.000 . 0 "[ ]"
1 125 LEU 0.000 0.000 . 0 "[ ]"
1 126 ARG 0.000 0.000 . 0 "[ ]"
1 127 LYS 0.019 0.015 1 0 "[ ]"
1 128 SER 0.015 0.015 1 0 "[ ]"
1 129 GLU 0.000 0.000 . 0 "[ ]"
1 130 ALA 0.045 0.042 1 0 "[ ]"
1 131 GLN 0.042 0.042 1 0 "[ ]"
1 132 ALA 0.000 0.000 . 0 "[ ]"
1 133 LYS 0.000 0.000 . 0 "[ ]"
1 134 LYS 0.000 0.000 . 0 "[ ]"
1 135 GLU 0.023 0.023 1 0 "[ ]"
1 136 LYS 0.000 0.000 . 0 "[ ]"
1 137 LEU 0.023 0.023 1 0 "[ ]"
1 138 ASN 0.000 0.000 . 0 "[ ]"
1 139 ILE 0.000 0.000 . 0 "[ ]"
1 140 TRP 0.000 0.000 . 0 "[ ]"
1 141 SER 0.039 0.039 1 0 "[ ]"
1 142 GLU 0.039 0.039 1 0 "[ ]"
1 143 ASP 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 7 LEU H 1 7 LEU QB 3.400 . 3.500 2.574 2.574 2.574 . 0 0 "[ ]" 1
2 1 7 LEU H 1 7 LEU HG 3.000 . 3.500 2.393 2.393 2.393 . 0 0 "[ ]" 1
3 1 8 HIS H 1 9 LYS H 4.000 . 5.300 3.784 3.784 3.784 . 0 0 "[ ]" 1
4 1 7 LEU H 1 8 HIS H 5.800 . 6.500 4.411 4.411 4.411 . 0 0 "[ ]" 1
5 1 8 HIS H 1 8 HIS HA 2.900 . 3.500 2.991 2.991 2.991 . 0 0 "[ ]" 1
6 1 8 HIS H 1 8 HIS HB3 2.700 . 3.500 2.909 2.909 2.909 . 0 0 "[ ]" 1
7 1 8 HIS H 1 8 HIS HB2 3.400 . 3.500 2.893 2.893 2.893 . 0 0 "[ ]" 1
8 1 8 HIS H 1 75 GLU HA 5.000 . 5.300 4.233 4.233 4.233 . 0 0 "[ ]" 1
9 1 8 HIS H 1 75 GLU HG3 3.400 . 3.500 3.498 3.498 3.498 . 0 0 "[ ]" 1
10 1 8 HIS H 1 75 GLU HG2 4.600 . 5.300 5.062 5.062 5.062 . 0 0 "[ ]" 1
11 1 7 LEU MD1 1 8 HIS H 4.500 . 5.300 3.925 3.925 3.925 . 0 0 "[ ]" 1
12 1 7 LEU HG 1 8 HIS H 5.500 . 6.500 4.696 4.696 4.696 . 0 0 "[ ]" 1
13 1 8 HIS H 1 8 HIS HD2 4.500 . 5.300 5.016 5.016 5.016 . 0 0 "[ ]" 1
14 1 8 HIS HA 1 8 HIS HB3 2.700 . 3.500 3.009 3.009 3.009 . 0 0 "[ ]" 1
15 1 8 HIS HA 1 8 HIS HB2 2.400 . 2.700 2.619 2.619 2.619 . 0 0 "[ ]" 1
16 1 8 HIS HB2 1 8 HIS HD2 3.400 . 3.500 3.314 3.314 3.314 . 0 0 "[ ]" 1
17 1 8 HIS HB3 1 8 HIS HD2 3.500 . 5.300 3.972 3.972 3.972 . 0 0 "[ ]" 1
18 1 8 HIS HA 1 9 LYS H 2.400 . 2.700 2.314 2.314 2.314 . 0 0 "[ ]" 1
19 1 8 HIS HB3 1 9 LYS H 3.600 . 5.300 4.359 4.359 4.359 . 0 0 "[ ]" 1
20 1 8 HIS HB2 1 9 LYS H 3.500 . 5.300 4.671 4.671 4.671 . 0 0 "[ ]" 1
21 1 9 LYS H 1 9 LYS HG2 2.900 . 3.500 3.364 3.364 3.364 . 0 0 "[ ]" 1
22 1 9 LYS H 1 9 LYS QD 3.800 . 5.300 4.544 4.544 4.544 . 0 0 "[ ]" 1
23 1 9 LYS H 1 9 LYS HG3 2.800 . 3.500 3.326 3.326 3.326 . 0 0 "[ ]" 1
24 1 9 LYS H 1 9 LYS HB3 3.500 . 5.300 3.511 3.511 3.511 . 0 0 "[ ]" 1
25 1 9 LYS H 1 9 LYS HB2 2.600 . 2.700 2.186 2.186 2.186 . 0 0 "[ ]" 1
26 1 9 LYS HA 1 9 LYS HB3 3.000 . 3.500 2.680 2.680 2.680 . 0 0 "[ ]" 1
27 1 9 LYS HA 1 10 GLU H 2.500 . 2.700 2.231 2.231 2.231 . 0 0 "[ ]" 1
28 1 10 GLU H 1 10 GLU HB2 3.000 . 3.500 2.680 2.680 2.680 . 0 0 "[ ]" 1
29 1 10 GLU H 1 10 GLU HB3 4.000 . 5.300 3.656 3.656 3.656 . 0 0 "[ ]" 1
30 1 10 GLU H 1 10 GLU HG2 4.000 . 5.300 4.258 4.258 4.258 . 0 0 "[ ]" 1
31 1 9 LYS HB3 1 10 GLU H 3.200 . 3.500 3.199 3.199 3.199 . 0 0 "[ ]" 1
32 1 9 LYS HB2 1 10 GLU H 3.800 . 5.300 4.313 4.313 4.313 . 0 0 "[ ]" 1
33 1 10 GLU H 1 74 VAL MG1 5.500 . 6.500 5.145 5.145 5.145 . 0 0 "[ ]" 1
34 1 10 GLU H 1 74 VAL MG2 4.500 . 5.300 2.972 2.972 2.972 . 0 0 "[ ]" 1
35 1 10 GLU H 1 75 GLU HB3 5.500 . 6.500 6.230 6.230 6.230 . 0 0 "[ ]" 1
36 1 10 GLU H 1 75 GLU HB2 4.100 . 5.300 4.973 4.973 4.973 . 0 0 "[ ]" 1
37 1 9 LYS HG2 1 10 GLU H 4.100 . 5.300 3.891 3.891 3.891 . 0 0 "[ ]" 1
38 1 10 GLU H 1 74 VAL HB 4.000 . 5.300 5.082 5.082 5.082 . 0 0 "[ ]" 1
39 1 10 GLU HA 1 10 GLU HG2 2.900 . 3.500 1.996 1.996 1.996 . 0 0 "[ ]" 1
40 1 10 GLU HA 1 10 GLU HB3 2.800 . 3.500 2.727 2.727 2.727 . 0 0 "[ ]" 1
41 1 10 GLU HA 1 11 PRO QD 3.000 . 3.500 2.017 2.017 2.017 . 0 0 "[ ]" 1
42 1 11 PRO HA 1 11 PRO HB3 2.700 . 3.500 2.306 2.306 2.306 . 0 0 "[ ]" 1
43 1 11 PRO HA 1 12 ALA H 2.400 . 2.700 2.438 2.438 2.438 . 0 0 "[ ]" 1
44 1 12 ALA H 1 12 ALA HA 2.900 . 3.500 2.935 2.935 2.935 . 0 0 "[ ]" 1
45 1 12 ALA H 1 73 GLU HA 3.200 . 3.500 3.264 3.264 3.264 . 0 0 "[ ]" 1
46 1 11 PRO QG 1 12 ALA H 5.400 . 6.500 4.286 4.286 4.286 . 0 0 "[ ]" 1
47 1 11 PRO HB3 1 12 ALA H 3.300 . 3.500 3.546 3.546 3.546 0.046 1 0 "[ ]" 1
48 1 11 PRO HB2 1 12 ALA H 3.500 . 5.300 2.697 2.697 2.697 . 0 0 "[ ]" 1
49 1 12 ALA H 1 72 ILE MG 4.700 . 5.300 4.184 4.184 4.184 . 0 0 "[ ]" 1
50 1 12 ALA H 1 74 VAL H 4.200 . 5.300 5.316 5.316 5.316 0.016 1 0 "[ ]" 1
51 1 12 ALA HA 1 27 TYR HA 3.000 . 3.500 3.406 3.406 3.406 . 0 0 "[ ]" 1
52 1 13 THR H 1 13 THR HB 3.300 . 3.500 2.963 2.963 2.963 . 0 0 "[ ]" 1
53 1 13 THR H 1 26 MET HB3 3.500 . 5.300 2.639 2.639 2.639 . 0 0 "[ ]" 1
54 1 13 THR H 1 25 LEU MD1 6.000 . 6.500 4.302 4.302 4.302 . 0 0 "[ ]" 1
55 1 12 ALA HA 1 13 THR H 2.600 . 3.500 2.400 2.400 2.400 . 0 0 "[ ]" 1
56 1 12 ALA MB 1 13 THR H 3.700 . 5.300 2.683 2.683 2.683 . 0 0 "[ ]" 1
57 1 13 THR H 1 25 LEU HA 4.300 . 5.300 4.417 4.417 4.417 . 0 0 "[ ]" 1
58 1 13 THR H 1 25 LEU HB2 3.400 . 3.500 3.522 3.522 3.522 0.022 1 0 "[ ]" 1
59 1 13 THR H 1 25 LEU MD2 6.000 . 6.500 4.969 4.969 4.969 . 0 0 "[ ]" 1
60 1 13 THR H 1 26 MET H 3.200 . 3.500 1.869 1.869 1.869 . 0 0 "[ ]" 1
61 1 13 THR H 1 14 LEU H 4.200 . 5.300 4.173 4.173 4.173 . 0 0 "[ ]" 1
62 1 13 THR HA 1 72 ILE HB 3.600 . 5.300 3.454 3.454 3.454 . 0 0 "[ ]" 1
63 1 13 THR HA 1 14 LEU HB3 5.000 . 5.300 4.587 4.587 4.587 . 0 0 "[ ]" 1
64 1 13 THR HA 1 13 THR HB 3.000 . 3.500 2.996 2.996 2.996 . 0 0 "[ ]" 1
65 1 13 THR HA 1 72 ILE MD 4.400 . 5.300 2.952 2.952 2.952 . 0 0 "[ ]" 1
66 1 14 LEU H 1 72 ILE MG 5.300 . 6.500 3.715 3.715 3.715 . 0 0 "[ ]" 1
67 1 14 LEU H 1 14 LEU MD1 5.000 . 5.300 4.024 4.024 4.024 . 0 0 "[ ]" 1
68 1 14 LEU H 1 14 LEU MD2 5.400 . 6.500 4.291 4.291 4.291 . 0 0 "[ ]" 1
69 1 13 THR MG 1 14 LEU H 4.200 . 5.300 3.010 3.010 3.010 . 0 0 "[ ]" 1
70 1 14 LEU H 1 14 LEU HB2 2.700 . 3.500 2.611 2.611 2.611 . 0 0 "[ ]" 1
71 1 14 LEU H 1 14 LEU HB3 2.700 . 3.500 2.514 2.514 2.514 . 0 0 "[ ]" 1
72 1 14 LEU H 1 14 LEU HA 3.000 . 3.500 2.826 2.826 2.826 . 0 0 "[ ]" 1
73 1 13 THR HB 1 14 LEU H 4.000 . 5.300 4.157 4.157 4.157 . 0 0 "[ ]" 1
74 1 13 THR HA 1 14 LEU H 2.900 . 3.500 2.199 2.199 2.199 . 0 0 "[ ]" 1
75 1 14 LEU HA 1 14 LEU HB2 3.000 . 3.500 2.438 2.438 2.438 . 0 0 "[ ]" 1
76 1 14 LEU HA 1 25 LEU HA . . 3.500 2.461 2.461 2.461 . 0 0 "[ ]" 1
77 1 14 LEU HA 1 14 LEU MD1 4.100 . 5.300 2.134 2.134 2.134 . 0 0 "[ ]" 1
78 1 14 LEU H 1 15 ILE H 5.900 . 6.500 4.654 4.654 4.654 . 0 0 "[ ]" 1
79 1 14 LEU H 1 72 ILE MD 4.000 . 5.300 2.118 2.118 2.118 . 0 0 "[ ]" 1
80 1 15 ILE H 1 16 LYS H 2.700 . 3.500 2.352 2.352 2.352 . 0 0 "[ ]" 1
81 1 14 LEU HA 1 15 ILE H 3.000 . 3.500 2.242 2.242 2.242 . 0 0 "[ ]" 1
82 1 14 LEU HB3 1 15 ILE H 4.500 . 5.300 4.108 4.108 4.108 . 0 0 "[ ]" 1
83 1 15 ILE H 1 15 ILE HB 2.800 . 3.500 2.616 2.616 2.616 . 0 0 "[ ]" 1
84 1 15 ILE H 1 15 ILE HG13 3.200 . 3.500 2.971 2.971 2.971 . 0 0 "[ ]" 1
85 1 15 ILE H 1 15 ILE MD 5.200 . 6.500 4.156 4.156 4.156 . 0 0 "[ ]" 1
86 1 14 LEU HB2 1 15 ILE H 4.800 . 5.300 4.112 4.112 4.112 . 0 0 "[ ]" 1
87 1 14 LEU MD1 1 15 ILE H 5.000 . 5.300 1.987 1.987 1.987 . 0 0 "[ ]" 1
88 1 15 ILE HA 1 16 LYS H 3.600 . 5.300 3.592 3.592 3.592 . 0 0 "[ ]" 1
89 1 16 LYS H 1 16 LYS HB2 3.500 . 5.300 3.333 3.333 3.333 . 0 0 "[ ]" 1
90 1 15 ILE HB 1 16 LYS H 2.500 . 3.500 2.180 2.180 2.180 . 0 0 "[ ]" 1
91 1 15 ILE HG13 1 16 LYS H 5.000 . 5.300 4.181 4.181 4.181 . 0 0 "[ ]" 1
92 1 14 LEU MD1 1 16 LYS H 5.000 . 5.300 2.994 2.994 2.994 . 0 0 "[ ]" 1
93 1 16 LYS H 1 16 LYS HB3 2.800 . 3.500 3.018 3.018 3.018 . 0 0 "[ ]" 1
94 1 16 LYS H 1 25 LEU HA 4.200 . 5.300 3.956 3.956 3.956 . 0 0 "[ ]" 1
95 1 16 LYS H 1 24 LYS HB2 2.700 . 3.500 2.623 2.623 2.623 . 0 0 "[ ]" 1
96 1 16 LYS H 1 24 LYS HD3 5.400 . 6.500 6.303 6.303 6.303 . 0 0 "[ ]" 1
97 1 15 ILE MD 1 16 LYS H 5.800 . 6.500 4.201 4.201 4.201 . 0 0 "[ ]" 1
98 1 15 ILE MG 1 16 LYS H 4.200 . 5.300 2.949 2.949 2.949 . 0 0 "[ ]" 1
99 1 14 LEU HA 1 16 LYS H 3.800 . 5.300 4.522 4.522 4.522 . 0 0 "[ ]" 1
100 1 16 LYS HA 1 16 LYS HB3 3.000 . 3.500 3.030 3.030 3.030 . 0 0 "[ ]" 1
101 1 16 LYS HA 1 16 LYS HB2 2.600 . 2.700 2.521 2.521 2.521 . 0 0 "[ ]" 1
102 1 16 LYS HA 1 17 ALA H 3.300 . 3.500 2.191 2.191 2.191 . 0 0 "[ ]" 1
103 1 16 LYS H 1 17 ALA H 3.600 . 5.300 3.959 3.959 3.959 . 0 0 "[ ]" 1
104 1 16 LYS HB2 1 17 ALA H 3.500 . 5.300 4.469 4.469 4.469 . 0 0 "[ ]" 1
105 1 17 ALA H 1 66 VAL MG2 5.500 . 6.500 4.774 4.774 4.774 . 0 0 "[ ]" 1
106 1 16 LYS QG 1 17 ALA H 3.600 . 5.300 3.056 3.056 3.056 . 0 0 "[ ]" 1
107 1 17 ALA H 1 18 ILE HG13 5.000 . 5.300 5.029 5.029 5.029 . 0 0 "[ ]" 1
108 1 14 LEU MD2 1 17 ALA H 4.800 . 5.300 4.137 4.137 4.137 . 0 0 "[ ]" 1
109 1 14 LEU MD1 1 17 ALA H 4.600 . 5.300 3.557 3.557 3.557 . 0 0 "[ ]" 1
110 1 17 ALA H 1 18 ILE H 4.700 . 5.300 4.620 4.620 4.620 . 0 0 "[ ]" 1
111 1 17 ALA HA 1 18 ILE H 2.800 . 3.500 2.253 2.253 2.253 . 0 0 "[ ]" 1
112 1 18 ILE H 1 23 VAL HA 3.000 . 3.500 2.536 2.536 2.536 . 0 0 "[ ]" 1
113 1 18 ILE H 1 23 VAL MG1 4.300 . 5.300 2.904 2.904 2.904 . 0 0 "[ ]" 1
114 1 18 ILE H 1 18 ILE HB 3.200 . 3.500 2.756 2.756 2.756 . 0 0 "[ ]" 1
115 1 18 ILE H 1 22 THR HB 4.900 . 5.300 3.533 3.533 3.533 . 0 0 "[ ]" 1
116 1 17 ALA MB 1 18 ILE H 4.400 . 5.300 2.978 2.978 2.978 . 0 0 "[ ]" 1
117 1 18 ILE H 1 18 ILE HG13 3.300 . 3.500 2.289 2.289 2.289 . 0 0 "[ ]" 1
118 1 18 ILE H 1 24 LYS H 4.100 . 5.300 3.763 3.763 3.763 . 0 0 "[ ]" 1
119 1 19 ASP H 1 22 THR H 3.100 . 3.500 3.265 3.265 3.265 . 0 0 "[ ]" 1
120 1 19 ASP H 1 22 THR HB 3.300 . 3.500 2.127 2.127 2.127 . 0 0 "[ ]" 1
121 1 18 ILE H 1 19 ASP H 2.600 . 3.500 2.274 2.274 2.274 . 0 0 "[ ]" 1
122 1 18 ILE HA 1 19 ASP H 3.600 . 5.300 3.590 3.590 3.590 . 0 0 "[ ]" 1
123 1 19 ASP H 1 19 ASP HB3 3.700 . 5.300 3.673 3.673 3.673 . 0 0 "[ ]" 1
124 1 18 ILE MG 1 19 ASP H 4.200 . 5.300 3.544 3.544 3.544 . 0 0 "[ ]" 1
125 1 18 ILE HG13 1 19 ASP H 4.500 . 5.300 3.782 3.782 3.782 . 0 0 "[ ]" 1
126 1 17 ALA MB 1 19 ASP H 5.400 . 6.500 4.203 4.203 4.203 . 0 0 "[ ]" 1
127 1 18 ILE HB 1 19 ASP H 2.700 . 3.500 2.281 2.281 2.281 . 0 0 "[ ]" 1
128 1 19 ASP H 1 23 VAL MG1 4.800 . 5.300 3.651 3.651 3.651 . 0 0 "[ ]" 1
129 1 19 ASP H 1 22 THR MG 5.100 . 5.300 3.757 3.757 3.757 . 0 0 "[ ]" 1
130 1 19 ASP H 1 59 SER HA 5.200 . 5.300 4.937 4.937 4.937 . 0 0 "[ ]" 1
131 1 19 ASP HA 1 19 ASP HB2 2.700 . 3.500 3.005 3.005 3.005 . 0 0 "[ ]" 1
132 1 20 GLY H 1 59 SER QB 4.700 . 5.300 4.040 4.040 4.040 . 0 0 "[ ]" 1
133 1 19 ASP HB2 1 20 GLY H 3.200 . 3.500 3.374 3.374 3.374 . 0 0 "[ ]" 1
134 1 19 ASP HB3 1 20 GLY H 3.600 . 5.300 1.915 1.915 1.915 . 0 0 "[ ]" 1
135 1 20 GLY H 1 58 ALA MB 6.000 . 6.500 3.744 3.744 3.744 . 0 0 "[ ]" 1
136 1 20 GLY H 1 21 ASP H 4.500 . 5.300 2.553 2.553 2.553 . 0 0 "[ ]" 1
137 1 20 GLY H 1 22 THR H 5.100 . 5.300 3.697 3.697 3.697 . 0 0 "[ ]" 1
138 1 19 ASP HA 1 20 GLY H 4.500 . 5.300 2.721 2.721 2.721 . 0 0 "[ ]" 1
139 1 20 GLY H 1 41 THR MG 5.900 . 6.500 2.746 2.746 2.746 . 0 0 "[ ]" 1
140 1 20 GLY H 1 44 THR MG 6.000 . 6.500 2.621 2.621 2.621 . 0 0 "[ ]" 1
141 1 20 GLY HA3 1 103 LEU MD1 6.000 . 6.500 4.410 4.410 4.410 . 0 0 "[ ]" 1
142 1 21 ASP H 1 22 THR MG 5.300 . 6.500 5.293 5.293 5.293 . 0 0 "[ ]" 1
143 1 21 ASP HA 1 36 LEU QD 4.600 . 5.300 2.080 2.080 2.080 . 0 0 "[ ]" 1
144 1 21 ASP H 1 35 ARG HD2 5.600 . 6.500 6.347 6.347 6.347 . 0 0 "[ ]" 1
145 1 20 GLY HA3 1 22 THR H 4.600 . 5.300 4.315 4.315 4.315 . 0 0 "[ ]" 1
146 1 22 THR H 1 22 THR HB 2.900 . 3.500 3.037 3.037 3.037 . 0 0 "[ ]" 1
147 1 21 ASP HA 1 22 THR H 3.400 . 3.500 3.153 3.153 3.153 . 0 0 "[ ]" 1
148 1 22 THR H 1 23 VAL H 4.700 . 5.300 4.150 4.150 4.150 . 0 0 "[ ]" 1
149 1 22 THR H 1 62 THR MG 5.500 . 6.500 5.133 5.133 5.133 . 0 0 "[ ]" 1
150 1 22 THR HA 1 35 ARG HD3 3.700 . 5.300 4.603 4.603 4.603 . 0 0 "[ ]" 1
151 1 22 THR HA 1 22 THR HB 2.900 . 3.500 2.982 2.982 2.982 . 0 0 "[ ]" 1
152 1 22 THR HA 1 35 ARG HA 2.600 . 3.500 2.995 2.995 2.995 . 0 0 "[ ]" 1
153 1 22 THR HA 1 36 LEU HB2 5.400 . 6.500 6.451 6.451 6.451 . 0 0 "[ ]" 1
154 1 22 THR HA 1 35 ARG QB 5.000 . 5.300 4.627 4.627 4.627 . 0 0 "[ ]" 1
155 1 22 THR HA 1 23 VAL MG1 4.700 . 5.300 4.181 4.181 4.181 . 0 0 "[ ]" 1
156 1 22 THR HA 1 23 VAL MG2 5.000 . 5.300 3.589 3.589 3.589 . 0 0 "[ ]" 1
157 1 18 ILE MG 1 22 THR HB 4.800 . 5.300 3.965 3.965 3.965 . 0 0 "[ ]" 1
158 1 22 THR HA 1 23 VAL H 2.500 . 2.700 2.196 2.196 2.196 . 0 0 "[ ]" 1
159 1 23 VAL H 1 34 PHE HB2 4.400 . 5.300 3.839 3.839 3.839 . 0 0 "[ ]" 1
160 1 23 VAL H 1 23 VAL HB 3.600 . 5.300 3.821 3.821 3.821 . 0 0 "[ ]" 1
161 1 22 THR MG 1 23 VAL H 4.600 . 5.300 3.141 3.141 3.141 . 0 0 "[ ]" 1
162 1 23 VAL H 1 23 VAL MG2 3.700 . 5.300 2.198 2.198 2.198 . 0 0 "[ ]" 1
163 1 23 VAL H 1 23 VAL MG1 4.500 . 5.300 3.298 3.298 3.298 . 0 0 "[ ]" 1
164 1 23 VAL H 1 34 PHE HB3 4.900 . 5.300 4.717 4.717 4.717 . 0 0 "[ ]" 1
165 1 18 ILE MD 1 23 VAL HA 5.600 . 6.500 4.333 4.333 4.333 . 0 0 "[ ]" 1
166 1 23 VAL HA 1 23 VAL HB 2.500 . 2.700 2.573 2.573 2.573 . 0 0 "[ ]" 1
167 1 16 LYS HA 1 24 LYS H 4.300 . 5.300 5.135 5.135 5.135 . 0 0 "[ ]" 1
168 1 23 VAL HA 1 24 LYS H 2.900 . 3.500 2.189 2.189 2.189 . 0 0 "[ ]" 1
169 1 16 LYS H 1 24 LYS H 3.000 . 3.500 3.506 3.506 3.506 0.006 1 0 "[ ]" 1
170 1 15 ILE H 1 24 LYS H 4.600 . 5.300 4.808 4.808 4.808 . 0 0 "[ ]" 1
171 1 23 VAL HB 1 24 LYS H 2.800 . 3.500 3.511 3.511 3.511 0.011 1 0 "[ ]" 1
172 1 24 LYS H 1 24 LYS HB2 2.900 . 3.500 2.473 2.473 2.473 . 0 0 "[ ]" 1
173 1 24 LYS H 1 24 LYS HG2 3.200 . 3.500 2.946 2.946 2.946 . 0 0 "[ ]" 1
174 1 24 LYS H 1 24 LYS HG3 4.100 . 5.300 2.686 2.686 2.686 . 0 0 "[ ]" 1
175 1 18 ILE HB 1 24 LYS H 4.700 . 5.300 5.307 5.307 5.307 0.007 1 0 "[ ]" 1
176 1 24 LYS H 1 24 LYS HB3 3.600 . 5.300 3.640 3.640 3.640 . 0 0 "[ ]" 1
177 1 18 ILE HG13 1 24 LYS H 3.400 . 3.500 3.279 3.279 3.279 . 0 0 "[ ]" 1
178 1 23 VAL MG2 1 24 LYS H 4.200 . 5.300 4.173 4.173 4.173 . 0 0 "[ ]" 1
179 1 23 VAL MG1 1 24 LYS H 4.500 . 5.300 3.937 3.937 3.937 . 0 0 "[ ]" 1
180 1 24 LYS H 1 25 LEU HA 5.500 . 6.500 5.285 5.285 5.285 . 0 0 "[ ]" 1
181 1 19 ASP H 1 24 LYS H 6.000 . 6.500 5.640 5.640 5.640 . 0 0 "[ ]" 1
182 1 24 LYS HA 1 24 LYS HB3 2.900 . 3.500 2.480 2.480 2.480 . 0 0 "[ ]" 1
183 1 24 LYS HA 1 24 LYS QD 3.500 . 5.300 3.392 3.392 3.392 . 0 0 "[ ]" 1
184 1 24 LYS HA 1 33 THR MG 5.500 . 6.500 2.943 2.943 2.943 . 0 0 "[ ]" 1
185 1 24 LYS HA 1 24 LYS HG2 2.800 . 3.500 2.311 2.311 2.311 . 0 0 "[ ]" 1
186 1 24 LYS HA 1 33 THR HA 2.300 . 2.700 1.848 1.848 1.848 . 0 0 "[ ]" 1
187 1 24 LYS HA 1 25 LEU H 2.600 . 3.500 2.187 2.187 2.187 . 0 0 "[ ]" 1
188 1 25 LEU H 1 34 PHE HD1 3.000 . 3.500 2.678 2.678 2.678 . 0 0 "[ ]" 1
189 1 24 LYS HB3 1 25 LEU H 3.800 . 5.300 3.497 3.497 3.497 . 0 0 "[ ]" 1
190 1 25 LEU H 1 25 LEU HB2 3.100 . 3.500 2.971 2.971 2.971 . 0 0 "[ ]" 1
191 1 25 LEU H 1 25 LEU HB3 4.200 . 5.300 3.810 3.810 3.810 . 0 0 "[ ]" 1
192 1 25 LEU H 1 25 LEU MD1 5.000 . 5.300 3.743 3.743 3.743 . 0 0 "[ ]" 1
193 1 25 LEU H 1 25 LEU MD2 4.600 . 5.300 3.118 3.118 3.118 . 0 0 "[ ]" 1
194 1 25 LEU H 1 33 THR HA 3.500 . 5.300 3.215 3.215 3.215 . 0 0 "[ ]" 1
195 1 24 LYS HG2 1 25 LEU H 4.500 . 5.300 4.452 4.452 4.452 . 0 0 "[ ]" 1
196 1 24 LYS HB2 1 25 LEU H 3.900 . 5.300 4.301 4.301 4.301 . 0 0 "[ ]" 1
197 1 25 LEU H 1 25 LEU HG 3.000 . 3.500 2.126 2.126 2.126 . 0 0 "[ ]" 1
198 1 14 LEU HB2 1 25 LEU HA 5.400 . 6.500 4.895 4.895 4.895 . 0 0 "[ ]" 1
199 1 24 LYS HB2 1 25 LEU HA 4.000 . 5.300 4.801 4.801 4.801 . 0 0 "[ ]" 1
200 1 25 LEU HA 1 25 LEU HG 4.000 . 5.300 3.376 3.376 3.376 . 0 0 "[ ]" 1
201 1 25 LEU HA 1 25 LEU MD2 4.300 . 5.300 2.096 2.096 2.096 . 0 0 "[ ]" 1
202 1 12 ALA MB 1 25 LEU MD1 5.400 . 6.500 2.457 2.457 2.457 . 0 0 "[ ]" 1
203 1 25 LEU MD1 1 72 ILE MG 5.600 . 6.500 2.423 2.423 2.423 . 0 0 "[ ]" 1
204 1 15 ILE H 1 26 MET H 3.900 . 5.300 4.980 4.980 4.980 . 0 0 "[ ]" 1
205 1 25 LEU HA 1 26 MET H 2.900 . 3.500 2.873 2.873 2.873 . 0 0 "[ ]" 1
206 1 14 LEU HA 1 26 MET H 3.800 . 5.300 4.093 4.093 4.093 . 0 0 "[ ]" 1
207 1 26 MET H 1 26 MET HB3 3.200 . 3.500 2.983 2.983 2.983 . 0 0 "[ ]" 1
208 1 12 ALA MB 1 26 MET H 4.800 . 5.300 3.273 3.273 3.273 . 0 0 "[ ]" 1
209 1 25 LEU MD1 1 26 MET H 5.300 . 6.500 3.853 3.853 3.853 . 0 0 "[ ]" 1
210 1 25 LEU MD2 1 26 MET H 4.600 . 5.300 4.034 4.034 4.034 . 0 0 "[ ]" 1
211 1 25 LEU HG 1 26 MET H 4.000 . 5.300 4.470 4.470 4.470 . 0 0 "[ ]" 1
212 1 26 MET H 1 26 MET HB2 3.200 . 3.500 2.831 2.831 2.831 . 0 0 "[ ]" 1
213 1 25 LEU HB2 1 26 MET H 3.500 . 5.300 2.256 2.256 2.256 . 0 0 "[ ]" 1
214 1 15 ILE MD 1 26 MET H 5.500 . 6.500 3.821 3.821 3.821 . 0 0 "[ ]" 1
215 1 26 MET HA 1 26 MET HB2 2.600 . 3.500 2.661 2.661 2.661 . 0 0 "[ ]" 1
216 1 26 MET HA 1 26 MET HB3 2.700 . 3.500 2.993 2.993 2.993 . 0 0 "[ ]" 1
217 1 26 MET HA 1 26 MET HG2 2.900 . 3.500 3.458 3.458 3.458 . 0 0 "[ ]" 1
218 1 27 TYR H 1 30 GLN H 2.900 . 3.500 3.510 3.510 3.510 0.010 1 0 "[ ]" 1
219 1 12 ALA MB 1 27 TYR H 6.000 . 6.500 5.196 5.196 5.196 . 0 0 "[ ]" 1
220 1 27 TYR H 1 29 GLY H 3.900 . 5.300 3.717 3.717 3.717 . 0 0 "[ ]" 1
221 1 27 TYR H 1 27 TYR HD2 4.300 . 5.300 4.840 4.840 4.840 . 0 0 "[ ]" 1
222 1 26 MET HA 1 27 TYR H 2.800 . 3.500 2.181 2.181 2.181 . 0 0 "[ ]" 1
223 1 27 TYR H 1 27 TYR HB2 3.400 . 3.500 2.961 2.961 2.961 . 0 0 "[ ]" 1
224 1 27 TYR H 1 27 TYR HB3 3.100 . 3.500 2.694 2.694 2.694 . 0 0 "[ ]" 1
225 1 27 TYR H 1 30 GLN HB2 4.600 . 5.300 4.960 4.960 4.960 . 0 0 "[ ]" 1
226 1 26 MET HB2 1 27 TYR H 3.900 . 5.300 4.546 4.546 4.546 . 0 0 "[ ]" 1
227 1 26 MET H 1 27 TYR H 4.600 . 5.300 4.190 4.190 4.190 . 0 0 "[ ]" 1
228 1 27 TYR H 1 32 MET HB2 5.500 . 6.500 3.349 3.349 3.349 . 0 0 "[ ]" 1
229 1 27 TYR HA 1 27 TYR HB2 2.500 . 2.700 2.527 2.527 2.527 . 0 0 "[ ]" 1
230 1 12 ALA MB 1 27 TYR HA 4.800 . 5.300 3.963 3.963 3.963 . 0 0 "[ ]" 1
231 1 10 GLU HB2 1 27 TYR HE1 2.900 . 3.500 2.216 2.216 2.216 . 0 0 "[ ]" 1
232 1 27 TYR HE1 1 74 VAL MG1 5.300 . 6.500 4.968 4.968 4.968 . 0 0 "[ ]" 1
233 1 27 TYR HE1 1 74 VAL MG2 4.200 . 5.300 2.762 2.762 2.762 . 0 0 "[ ]" 1
234 1 27 TYR HE1 1 76 PHE HE2 3.500 . 3.500 2.563 2.563 2.563 . 0 0 "[ ]" 1
235 1 27 TYR HE1 1 76 PHE HD2 6.000 . 6.500 4.801 4.801 4.801 . 0 0 "[ ]" 1
236 1 27 TYR HE1 1 28 LYS QE 4.500 . 5.300 3.792 3.792 3.792 . 0 0 "[ ]" 1
237 1 27 TYR HE1 1 74 VAL H 5.500 . 6.500 5.214 5.214 5.214 . 0 0 "[ ]" 1
238 1 10 GLU HB3 1 27 TYR HE1 4.700 . 5.300 2.067 2.067 2.067 . 0 0 "[ ]" 1
239 1 27 TYR HA 1 27 TYR QE 4.500 . 5.300 4.375 4.375 4.375 . 0 0 "[ ]" 1
240 1 27 TYR HE2 1 28 LYS HG3 4.000 . 5.300 4.838 4.838 4.838 . 0 0 "[ ]" 1
241 1 27 TYR HD1 1 74 VAL MG1 5.300 . 5.300 4.145 4.145 4.145 . 0 0 "[ ]" 1
242 1 27 TYR HD1 1 74 VAL MG2 4.500 . 5.300 2.710 2.710 2.710 . 0 0 "[ ]" 1
243 1 27 TYR HB2 1 27 TYR QD 2.800 . 3.500 2.577 2.577 2.577 . 0 0 "[ ]" 1
244 1 27 TYR HB3 1 27 TYR QD 2.700 . 3.500 2.311 2.311 2.311 . 0 0 "[ ]" 1
245 1 27 TYR HA 1 27 TYR HD1 2.600 . 3.500 2.432 2.432 2.432 . 0 0 "[ ]" 1
246 1 27 TYR HD2 1 28 LYS HG3 5.700 . 6.500 5.054 5.054 5.054 . 0 0 "[ ]" 1
247 1 12 ALA MB 1 27 TYR HD1 4.500 . 5.300 3.444 3.444 3.444 . 0 0 "[ ]" 1
248 1 27 TYR HD2 1 34 PHE HZ 3.500 . 5.300 4.148 4.148 4.148 . 0 0 "[ ]" 1
249 1 27 TYR HB2 1 28 LYS H 3.500 . 5.300 4.320 4.320 4.320 . 0 0 "[ ]" 1
250 1 27 TYR HD1 1 28 LYS H 3.500 . 5.300 3.599 3.599 3.599 . 0 0 "[ ]" 1
251 1 28 LYS H 1 29 GLY H 3.100 . 3.500 2.656 2.656 2.656 . 0 0 "[ ]" 1
252 1 27 TYR H 1 28 LYS H 4.300 . 5.300 4.406 4.406 4.406 . 0 0 "[ ]" 1
253 1 28 LYS H 1 30 GLN H 4.000 . 5.300 4.376 4.376 4.376 . 0 0 "[ ]" 1
254 1 27 TYR HA 1 28 LYS H 2.600 . 3.500 2.211 2.211 2.211 . 0 0 "[ ]" 1
255 1 28 LYS H 1 28 LYS HA 2.400 . 2.700 2.347 2.347 2.347 . 0 0 "[ ]" 1
256 1 28 LYS H 1 28 LYS HB3 3.600 . 5.300 4.138 4.138 4.138 . 0 0 "[ ]" 1
257 1 28 LYS H 1 28 LYS HB2 3.300 . 3.500 3.296 3.296 3.296 . 0 0 "[ ]" 1
258 1 28 LYS H 1 28 LYS HG3 4.500 . 5.300 4.324 4.324 4.324 . 0 0 "[ ]" 1
259 1 28 LYS H 1 28 LYS QD 3.900 . 5.300 2.468 2.468 2.468 . 0 0 "[ ]" 1
260 1 27 TYR HB3 1 28 LYS H 4.600 . 5.300 4.096 4.096 4.096 . 0 0 "[ ]" 1
261 1 27 TYR HE1 1 28 LYS H 4.400 . 5.300 4.639 4.639 4.639 . 0 0 "[ ]" 1
262 1 28 LYS HA 1 28 LYS HB3 2.300 . 2.700 2.733 2.733 2.733 0.033 1 0 "[ ]" 1
263 1 28 LYS HA 1 28 LYS HB2 3.000 . 3.500 2.952 2.952 2.952 . 0 0 "[ ]" 1
264 1 28 LYS HA 1 28 LYS QD 4.500 . 5.300 2.045 2.045 2.045 . 0 0 "[ ]" 1
265 1 28 LYS HA 1 28 LYS HG3 3.100 . 3.500 2.454 2.454 2.454 . 0 0 "[ ]" 1
266 1 29 GLY H 1 29 GLY HA2 2.300 . 2.700 2.419 2.419 2.419 . 0 0 "[ ]" 1
267 1 28 LYS HA 1 29 GLY H 2.700 . 3.500 3.231 3.231 3.231 . 0 0 "[ ]" 1
268 1 29 GLY H 1 29 GLY HA3 2.900 . 3.500 2.970 2.970 2.970 . 0 0 "[ ]" 1
269 1 29 GLY H 1 30 GLN HB2 5.500 . 6.500 5.943 5.943 5.943 . 0 0 "[ ]" 1
270 1 27 TYR HA 1 29 GLY H 3.500 . 5.300 3.340 3.340 3.340 . 0 0 "[ ]" 1
271 1 29 GLY H 1 30 GLN H 2.600 . 3.500 2.461 2.461 2.461 . 0 0 "[ ]" 1
272 1 28 LYS HB3 1 29 GLY H 3.600 . 5.300 4.055 4.055 4.055 . 0 0 "[ ]" 1
273 1 28 LYS HB2 1 29 GLY H 3.800 . 5.300 3.848 3.848 3.848 . 0 0 "[ ]" 1
274 1 28 LYS HG3 1 29 GLY H 5.400 . 6.500 5.346 5.346 5.346 . 0 0 "[ ]" 1
275 1 26 MET HA 1 30 GLN H 4.000 . 5.300 4.655 4.655 4.655 . 0 0 "[ ]" 1
276 1 30 GLN H 1 30 GLN HA 2.800 . 3.500 2.985 2.985 2.985 . 0 0 "[ ]" 1
277 1 30 GLN H 1 30 GLN HB3 2.700 . 3.500 3.375 3.375 3.375 . 0 0 "[ ]" 1
278 1 30 GLN H 1 30 GLN HB2 2.900 . 3.500 3.538 3.538 3.538 0.038 1 0 "[ ]" 1
279 1 30 GLN H 1 30 GLN QG 4.500 . 5.300 1.842 1.842 1.842 . 0 0 "[ ]" 1
280 1 29 GLY HA2 1 30 GLN H 3.100 . 3.500 3.374 3.374 3.374 . 0 0 "[ ]" 1
281 1 29 GLY HA3 1 30 GLN H 3.500 . 5.300 3.223 3.223 3.223 . 0 0 "[ ]" 1
282 1 28 LYS HB3 1 30 GLN H 4.200 . 5.300 3.519 3.519 3.519 . 0 0 "[ ]" 1
283 1 28 LYS HB2 1 30 GLN H 4.900 . 5.300 3.477 3.477 3.477 . 0 0 "[ ]" 1
284 1 30 GLN H 1 31 PRO HD2 5.000 . 5.300 4.844 4.844 4.844 . 0 0 "[ ]" 1
285 1 26 MET ME 1 30 GLN H 5.800 . 6.500 3.688 3.688 3.688 . 0 0 "[ ]" 1
286 1 30 GLN HA 1 30 GLN HB2 2.500 . 2.700 2.699 2.699 2.699 . 0 0 "[ ]" 1
287 1 31 PRO HA 1 31 PRO HB3 2.700 . 3.500 2.311 2.311 2.311 . 0 0 "[ ]" 1
288 1 15 ILE MD 1 31 PRO HA 3.200 . 3.500 2.276 2.276 2.276 . 0 0 "[ ]" 1
289 1 30 GLN HA 1 31 PRO HD2 3.000 . 3.500 2.500 2.500 2.500 . 0 0 "[ ]" 1
290 1 27 TYR H 1 32 MET H 4.600 . 5.300 4.231 4.231 4.231 . 0 0 "[ ]" 1
291 1 25 LEU H 1 32 MET H 3.400 . 3.500 3.507 3.507 3.507 0.007 1 0 "[ ]" 1
292 1 32 MET H 1 34 PHE HE1 4.200 . 5.300 4.552 4.552 4.552 . 0 0 "[ ]" 1
293 1 31 PRO HA 1 32 MET H 2.700 . 3.500 2.264 2.264 2.264 . 0 0 "[ ]" 1
294 1 32 MET H 1 32 MET HB2 3.000 . 3.500 2.944 2.944 2.944 . 0 0 "[ ]" 1
295 1 32 MET H 1 32 MET HB3 3.600 . 5.300 3.585 3.585 3.585 . 0 0 "[ ]" 1
296 1 32 MET H 1 32 MET ME 6.000 . 6.500 4.968 4.968 4.968 . 0 0 "[ ]" 1
297 1 15 ILE MD 1 32 MET H 4.800 . 5.300 3.054 3.054 3.054 . 0 0 "[ ]" 1
298 1 32 MET HA 1 32 MET HB2 2.900 . 3.500 2.865 2.865 2.865 . 0 0 "[ ]" 1
299 1 32 MET HA 1 32 MET HB3 2.700 . 3.500 2.853 2.853 2.853 . 0 0 "[ ]" 1
300 1 32 MET HA 1 33 THR MG 5.500 . 6.500 5.418 5.418 5.418 . 0 0 "[ ]" 1
301 1 32 MET HA 1 33 THR H 4.000 . 5.300 2.403 2.403 2.403 . 0 0 "[ ]" 1
302 1 32 MET QG 1 33 THR H 4.400 . 5.300 2.617 2.617 2.617 . 0 0 "[ ]" 1
303 1 32 MET HB2 1 33 THR H 3.600 . 5.300 4.113 4.113 4.113 . 0 0 "[ ]" 1
304 1 32 MET HB3 1 33 THR H 3.100 . 3.500 2.902 2.902 2.902 . 0 0 "[ ]" 1
305 1 33 THR H 1 33 THR HB 3.500 . 5.300 2.711 2.711 2.711 . 0 0 "[ ]" 1
306 1 33 THR H 1 87 ARG HB3 5.500 . 6.500 5.625 5.625 5.625 . 0 0 "[ ]" 1
307 1 24 LYS HG2 1 33 THR H 5.400 . 6.500 4.714 4.714 4.714 . 0 0 "[ ]" 1
308 1 24 LYS HG3 1 33 THR HA 3.700 . 5.300 4.201 4.201 4.201 . 0 0 "[ ]" 1
309 1 33 THR HA 1 34 PHE H 2.500 . 2.700 2.286 2.286 2.286 . 0 0 "[ ]" 1
310 1 24 LYS HA 1 34 PHE H 3.500 . 5.300 3.083 3.083 3.083 . 0 0 "[ ]" 1
311 1 34 PHE H 1 34 PHE HD1 3.200 . 3.500 3.096 3.096 3.096 . 0 0 "[ ]" 1
312 1 23 VAL H 1 34 PHE H 3.500 . 5.300 2.894 2.894 2.894 . 0 0 "[ ]" 1
313 1 25 LEU H 1 34 PHE H 4.000 . 5.300 4.019 4.019 4.019 . 0 0 "[ ]" 1
314 1 34 PHE H 1 34 PHE HB3 3.500 . 5.300 3.691 3.691 3.691 . 0 0 "[ ]" 1
315 1 34 PHE H 1 34 PHE HB2 3.000 . 3.500 2.525 2.525 2.525 . 0 0 "[ ]" 1
316 1 23 VAL MG1 1 34 PHE H 6.000 . 6.500 5.382 5.382 5.382 . 0 0 "[ ]" 1
317 1 23 VAL MG2 1 34 PHE H 4.500 . 5.300 3.293 3.293 3.293 . 0 0 "[ ]" 1
318 1 33 THR MG 1 34 PHE H 4.900 . 5.300 2.340 2.340 2.340 . 0 0 "[ ]" 1
319 1 22 THR MG 1 34 PHE H 5.500 . 6.500 3.999 3.999 3.999 . 0 0 "[ ]" 1
320 1 24 LYS HG2 1 34 PHE H 4.500 . 5.300 3.926 3.926 3.926 . 0 0 "[ ]" 1
321 1 34 PHE HA 1 34 PHE HB3 2.500 . 2.700 2.620 2.620 2.620 . 0 0 "[ ]" 1
322 1 34 PHE HE2 1 74 VAL MG1 4.900 . 5.300 3.282 3.282 3.282 . 0 0 "[ ]" 1
323 1 25 LEU MD1 1 34 PHE HE1 5.000 . 5.300 4.025 4.025 4.025 . 0 0 "[ ]" 1
324 1 34 PHE HE2 1 90 ALA MB 4.400 . 5.300 2.733 2.733 2.733 . 0 0 "[ ]" 1
325 1 25 LEU HB2 1 34 PHE HE1 2.800 . 3.500 3.484 3.484 3.484 . 0 0 "[ ]" 1
326 1 32 MET HB2 1 34 PHE HE1 2.700 . 3.500 3.279 3.279 3.279 . 0 0 "[ ]" 1
327 1 32 MET HB3 1 34 PHE HE1 3.600 . 5.300 2.650 2.650 2.650 . 0 0 "[ ]" 1
328 1 34 PHE HA 1 34 PHE QD 3.200 . 3.500 2.980 2.980 2.980 . 0 0 "[ ]" 1
329 1 34 PHE HB2 1 34 PHE QD 2.800 . 3.500 2.471 2.471 2.471 . 0 0 "[ ]" 1
330 1 34 PHE HB3 1 34 PHE QD 2.700 . 3.500 2.360 2.360 2.360 . 0 0 "[ ]" 1
331 1 34 PHE HD2 1 92 ILE HG13 5.500 . 6.500 4.970 4.970 4.970 . 0 0 "[ ]" 1
332 1 34 PHE HD2 1 74 VAL MG1 5.800 . 6.500 3.298 3.298 3.298 . 0 0 "[ ]" 1
333 1 34 PHE HD2 1 92 ILE MD 5.300 . 6.500 4.566 4.566 4.566 . 0 0 "[ ]" 1
334 1 25 LEU MD1 1 34 PHE HD1 4.800 . 5.300 3.022 3.022 3.022 . 0 0 "[ ]" 1
335 1 34 PHE HD2 1 90 ALA MB 4.200 . 5.300 2.704 2.704 2.704 . 0 0 "[ ]" 1
336 1 25 LEU HB2 1 34 PHE HD1 2.700 . 3.500 3.482 3.482 3.482 . 0 0 "[ ]" 1
337 1 25 LEU HB3 1 34 PHE HD1 3.500 . 5.300 4.886 4.886 4.886 . 0 0 "[ ]" 1
338 1 34 PHE HD2 1 76 PHE HE1 3.600 . 5.300 3.949 3.949 3.949 . 0 0 "[ ]" 1
339 1 34 PHE HZ 1 74 VAL MG1 5.500 . 6.500 3.899 3.899 3.899 . 0 0 "[ ]" 1
340 1 34 PHE HZ 1 74 VAL MG2 5.200 . 5.500 3.645 3.645 3.645 . 0 0 "[ ]" 1
341 1 27 TYR HB2 1 34 PHE HZ 3.100 . 3.500 2.513 2.513 2.513 . 0 0 "[ ]" 1
342 1 34 PHE HZ 1 76 PHE HE1 . . 3.500 3.508 3.508 3.508 0.008 1 0 "[ ]" 1
343 1 34 PHE HZ 1 76 PHE HZ 3.000 . 3.500 2.497 2.497 2.497 . 0 0 "[ ]" 1
344 1 27 TYR HB3 1 34 PHE HE1 3.400 . 5.300 3.527 3.527 3.527 . 0 0 "[ ]" 1
345 1 27 TYR HB2 1 34 PHE HE1 2.800 . 3.500 2.606 2.606 2.606 . 0 0 "[ ]" 1
346 1 34 PHE HB3 1 35 ARG H 3.200 . 3.500 2.985 2.985 2.985 . 0 0 "[ ]" 1
347 1 34 PHE HB2 1 35 ARG H 4.000 . 5.300 4.165 4.165 4.165 . 0 0 "[ ]" 1
348 1 34 PHE HA 1 35 ARG H 2.600 . 2.700 2.274 2.274 2.274 . 0 0 "[ ]" 1
349 1 34 PHE HD2 1 35 ARG H 4.000 . 5.300 3.668 3.668 3.668 . 0 0 "[ ]" 1
350 1 35 ARG H 1 89 LEU H 4.700 . 5.300 5.235 5.235 5.235 . 0 0 "[ ]" 1
351 1 35 ARG H 1 88 GLY H 4.100 . 5.300 4.216 4.216 4.216 . 0 0 "[ ]" 1
352 1 35 ARG H 1 35 ARG QB 3.500 . 5.300 2.434 2.434 2.434 . 0 0 "[ ]" 1
353 1 35 ARG H 1 89 LEU MD2 4.900 . 5.300 3.294 3.294 3.294 . 0 0 "[ ]" 1
354 1 35 ARG HA 1 35 ARG HD3 4.900 . 5.300 2.708 2.708 2.708 . 0 0 "[ ]" 1
355 1 35 ARG HA 1 36 LEU H 3.100 . 3.500 2.190 2.190 2.190 . 0 0 "[ ]" 1
356 1 36 LEU H 1 36 LEU HB2 3.500 . 5.300 2.589 2.589 2.589 . 0 0 "[ ]" 1
357 1 36 LEU H 1 36 LEU HG 2.600 . 2.700 1.965 1.965 1.965 . 0 0 "[ ]" 1
358 1 35 ARG QB 1 36 LEU H 4.200 . 5.300 3.555 3.555 3.555 . 0 0 "[ ]" 1
359 1 36 LEU H 1 36 LEU MD2 4.600 . 5.300 3.090 3.090 3.090 . 0 0 "[ ]" 1
360 1 36 LEU HA 1 36 LEU HB2 3.000 . 3.500 3.034 3.034 3.034 . 0 0 "[ ]" 1
361 1 36 LEU HA 1 36 LEU HB3 2.800 . 3.500 2.475 2.475 2.475 . 0 0 "[ ]" 1
362 1 36 LEU HA 1 36 LEU HG 3.000 . 3.500 3.058 3.058 3.058 . 0 0 "[ ]" 1
363 1 36 LEU HA 1 36 LEU MD2 3.500 . 5.300 1.835 1.835 1.835 . 0 0 "[ ]" 1
364 1 36 LEU HA 1 37 LEU H 3.200 . 3.500 2.207 2.207 2.207 . 0 0 "[ ]" 1
365 1 37 LEU H 1 37 LEU HG 3.000 . 3.500 3.075 3.075 3.075 . 0 0 "[ ]" 1
366 1 37 LEU H 1 37 LEU MD2 5.100 . 5.300 4.119 4.119 4.119 . 0 0 "[ ]" 1
367 1 37 LEU H 1 37 LEU HB3 3.600 . 5.300 3.537 3.537 3.537 . 0 0 "[ ]" 1
368 1 37 LEU H 1 37 LEU MD1 4.700 . 5.300 3.708 3.708 3.708 . 0 0 "[ ]" 1
369 1 37 LEU H 1 37 LEU HB2 2.800 . 3.500 2.234 2.234 2.234 . 0 0 "[ ]" 1
370 1 36 LEU MD2 1 37 LEU H 4.500 . 5.300 3.329 3.329 3.329 . 0 0 "[ ]" 1
371 1 36 LEU MD1 1 37 LEU H 6.000 . 6.500 5.018 5.018 5.018 . 0 0 "[ ]" 1
372 1 36 LEU HB2 1 37 LEU H 4.200 . 5.300 4.171 4.171 4.171 . 0 0 "[ ]" 1
373 1 36 LEU HB3 1 37 LEU H 3.800 . 5.300 3.273 3.273 3.273 . 0 0 "[ ]" 1
374 1 37 LEU H 1 38 LEU H 5.100 . 5.300 4.624 4.624 4.624 . 0 0 "[ ]" 1
375 1 37 LEU H 1 100 ASN HD22 3.900 . 5.300 2.330 2.330 2.330 . 0 0 "[ ]" 1
376 1 37 LEU HA 1 37 LEU MD2 4.400 . 5.300 2.218 2.218 2.218 . 0 0 "[ ]" 1
377 1 37 LEU HA 1 37 LEU HB3 2.600 . 2.700 2.648 2.648 2.648 . 0 0 "[ ]" 1
378 1 37 LEU HA 1 89 LEU MD2 5.800 . 6.500 4.315 4.315 4.315 . 0 0 "[ ]" 1
379 1 38 LEU H 1 39 VAL H 3.600 . 5.300 2.760 2.760 2.760 . 0 0 "[ ]" 1
380 1 37 LEU HA 1 38 LEU H 3.100 . 3.500 2.312 2.312 2.312 . 0 0 "[ ]" 1
381 1 38 LEU H 1 38 LEU HB2 4.000 . 5.300 3.778 3.778 3.778 . 0 0 "[ ]" 1
382 1 38 LEU H 1 38 LEU HG 3.900 . 5.300 2.950 2.950 2.950 . 0 0 "[ ]" 1
383 1 37 LEU HB3 1 38 LEU H 3.200 . 3.500 2.802 2.802 2.802 . 0 0 "[ ]" 1
384 1 38 LEU H 1 38 LEU MD2 4.400 . 5.300 2.332 2.332 2.332 . 0 0 "[ ]" 1
385 1 38 LEU H 1 38 LEU MD1 5.500 . 6.500 4.302 4.302 4.302 . 0 0 "[ ]" 1
386 1 37 LEU MD1 1 38 LEU H 6.000 . 6.500 4.635 4.635 4.635 . 0 0 "[ ]" 1
387 1 37 LEU MD2 1 38 LEU H 4.400 . 5.300 2.532 2.532 2.532 . 0 0 "[ ]" 1
388 1 37 LEU HB2 1 38 LEU H 3.500 . 5.300 4.067 4.067 4.067 . 0 0 "[ ]" 1
389 1 38 LEU HA 1 38 LEU HB2 2.900 . 3.500 3.009 3.009 3.009 . 0 0 "[ ]" 1
390 1 38 LEU HA 1 38 LEU HB3 3.000 . 3.500 2.345 2.345 2.345 . 0 0 "[ ]" 1
391 1 38 LEU HA 1 125 LEU MD1 6.000 . 6.500 4.128 4.128 4.128 . 0 0 "[ ]" 1
392 1 39 VAL H 1 39 VAL MG2 3.700 . 5.300 2.395 2.395 2.395 . 0 0 "[ ]" 1
393 1 39 VAL H 1 39 VAL MG1 4.000 . 5.300 2.696 2.696 2.696 . 0 0 "[ ]" 1
394 1 38 LEU HA 1 39 VAL H 3.900 . 5.300 3.227 3.227 3.227 . 0 0 "[ ]" 1
395 1 37 LEU HA 1 39 VAL H 4.200 . 5.300 3.263 3.263 3.263 . 0 0 "[ ]" 1
396 1 38 LEU HB2 1 39 VAL H 3.600 . 5.300 3.758 3.758 3.758 . 0 0 "[ ]" 1
397 1 39 VAL H 1 39 VAL HB 3.800 . 5.300 3.922 3.922 3.922 . 0 0 "[ ]" 1
398 1 39 VAL H 1 40 ASP H 4.100 . 5.300 4.478 4.478 4.478 . 0 0 "[ ]" 1
399 1 39 VAL H 1 100 ASN HD21 5.900 . 6.500 5.163 5.163 5.163 . 0 0 "[ ]" 1
400 1 38 LEU MD2 1 39 VAL H 6.000 . 6.500 4.260 4.260 4.260 . 0 0 "[ ]" 1
401 1 36 LEU HB3 1 39 VAL H 4.600 . 5.300 4.418 4.418 4.418 . 0 0 "[ ]" 1
402 1 39 VAL HA 1 111 VAL HA 2.500 . 2.700 2.139 2.139 2.139 . 0 0 "[ ]" 1
403 1 39 VAL HA 1 39 VAL HB 2.400 . 2.700 2.365 2.365 2.365 . 0 0 "[ ]" 1
404 1 39 VAL HA 1 111 VAL QG 5.900 . 6.500 3.368 3.368 3.368 . 0 0 "[ ]" 1
405 1 39 VAL HA 1 112 ALA MB 5.000 . 5.300 3.764 3.764 3.764 . 0 0 "[ ]" 1
406 1 39 VAL HA 1 40 ASP H 2.600 . 2.700 2.407 2.407 2.407 . 0 0 "[ ]" 1
407 1 40 ASP H 1 110 LYS H 2.900 . 3.500 3.292 3.292 3.292 . 0 0 "[ ]" 1
408 1 40 ASP H 1 111 VAL HA 4.400 . 5.300 3.855 3.855 3.855 . 0 0 "[ ]" 1
409 1 40 ASP H 1 40 ASP HB2 3.300 . 3.500 3.408 3.408 3.408 . 0 0 "[ ]" 1
410 1 40 ASP H 1 40 ASP HB3 3.000 . 3.500 2.905 2.905 2.905 . 0 0 "[ ]" 1
411 1 39 VAL MG1 1 40 ASP H 4.500 . 5.300 3.999 3.999 3.999 . 0 0 "[ ]" 1
412 1 39 VAL MG2 1 40 ASP H 4.000 . 5.300 3.086 3.086 3.086 . 0 0 "[ ]" 1
413 1 39 VAL HB 1 40 ASP H 2.900 . 3.500 2.642 2.642 2.642 . 0 0 "[ ]" 1
414 1 40 ASP H 1 109 ALA MB 4.500 . 5.300 2.884 2.884 2.884 . 0 0 "[ ]" 1
415 1 40 ASP HA 1 40 ASP HB2 2.700 . 3.500 2.460 2.460 2.460 . 0 0 "[ ]" 1
416 1 40 ASP HA 1 40 ASP HB3 2.900 . 3.500 3.035 3.035 3.035 . 0 0 "[ ]" 1
417 1 40 ASP HA 1 41 THR H 3.000 . 3.500 2.241 2.241 2.241 . 0 0 "[ ]" 1
418 1 35 ARG HD2 1 41 THR H 6.000 . 6.500 6.010 6.010 6.010 . 0 0 "[ ]" 1
419 1 41 THR HA 1 109 ALA HA 2.800 . 3.500 2.631 2.631 2.631 . 0 0 "[ ]" 1
420 1 41 THR HA 1 41 THR HB 2.500 . 2.700 2.362 2.362 2.362 . 0 0 "[ ]" 1
421 1 41 THR HA 1 109 ALA MB 4.500 . 5.300 2.721 2.721 2.721 . 0 0 "[ ]" 1
422 1 41 THR HA 1 103 LEU HB3 5.400 . 6.500 6.069 6.069 6.069 . 0 0 "[ ]" 1
423 1 41 THR HA 1 139 ILE MD 5.500 . 6.500 4.524 4.524 4.524 . 0 0 "[ ]" 1
424 1 41 THR HA 1 42 PRO HB3 5.400 . 6.500 4.794 4.794 4.794 . 0 0 "[ ]" 1
425 1 39 VAL MG2 1 41 THR HA 6.000 . 6.500 5.236 5.236 5.236 . 0 0 "[ ]" 1
426 1 41 THR HB 1 58 ALA MB 5.000 . 5.300 3.149 3.149 3.149 . 0 0 "[ ]" 1
427 1 41 THR HB 1 103 LEU MD2 5.600 . 6.500 5.117 5.117 5.117 . 0 0 "[ ]" 1
428 1 41 THR HA 1 42 PRO HD3 3.500 . 3.500 1.992 1.992 1.992 . 0 0 "[ ]" 1
429 1 41 THR HA 1 42 PRO HD2 3.000 . 3.500 2.804 2.804 2.804 . 0 0 "[ ]" 1
430 1 44 THR H 1 45 LYS H 3.600 . 5.300 2.737 2.737 2.737 . 0 0 "[ ]" 1
431 1 43 GLU QB 1 44 THR H 3.900 . 5.300 3.798 3.798 3.798 . 0 0 "[ ]" 1
432 1 43 GLU QG 1 44 THR H 3.600 . 5.300 4.116 4.116 4.116 . 0 0 "[ ]" 1
433 1 44 THR H 1 44 THR MG 4.500 . 5.300 2.084 2.084 2.084 . 0 0 "[ ]" 1
434 1 44 THR H 1 45 LYS QG 5.800 . 6.500 4.859 4.859 4.859 . 0 0 "[ ]" 1
435 1 44 THR H 1 45 LYS QD 5.900 . 6.500 4.637 4.637 4.637 . 0 0 "[ ]" 1
436 1 44 THR H 1 45 LYS HA 5.300 . 6.500 4.342 4.342 4.342 . 0 0 "[ ]" 1
437 1 44 THR HB 1 45 LYS H 4.500 . 5.300 4.651 4.651 4.651 . 0 0 "[ ]" 1
438 1 44 THR HA 1 45 LYS H 3.100 . 3.500 2.846 2.846 2.846 . 0 0 "[ ]" 1
439 1 43 GLU QG 1 45 LYS H 4.400 . 5.300 4.357 4.357 4.357 . 0 0 "[ ]" 1
440 1 44 THR MG 1 45 LYS H 5.400 . 6.500 3.533 3.533 3.533 . 0 0 "[ ]" 1
441 1 45 LYS H 1 45 LYS QG 4.500 . 5.300 2.279 2.279 2.279 . 0 0 "[ ]" 1
442 1 45 LYS H 1 45 LYS QB 3.500 . 5.300 2.463 2.463 2.463 . 0 0 "[ ]" 1
443 1 45 LYS H 1 51 VAL MG2 5.300 . 6.500 5.041 5.041 5.041 . 0 0 "[ ]" 1
444 1 46 HIS H 1 46 HIS HB3 3.400 . 3.500 3.575 3.575 3.575 0.075 1 0 "[ ]" 1
445 1 46 HIS H 1 46 HIS HB2 3.300 . 3.500 2.923 2.923 2.923 . 0 0 "[ ]" 1
446 1 45 LYS HA 1 46 HIS H 3.500 . 5.300 3.473 3.473 3.473 . 0 0 "[ ]" 1
447 1 46 HIS H 1 46 HIS HA 3.000 . 3.500 2.361 2.361 2.361 . 0 0 "[ ]" 1
448 1 45 LYS QG 1 46 HIS H 4.600 . 5.300 2.047 2.047 2.047 . 0 0 "[ ]" 1
449 1 45 LYS QD 1 46 HIS H 5.800 . 6.500 4.156 4.156 4.156 . 0 0 "[ ]" 1
450 1 45 LYS H 1 46 HIS H 3.000 . 3.500 2.624 2.624 2.624 . 0 0 "[ ]" 1
451 1 46 HIS H 1 47 PRO HD3 5.000 . 5.300 2.519 2.519 2.519 . 0 0 "[ ]" 1
452 1 46 HIS HA 1 46 HIS HB3 2.700 . 3.500 3.021 3.021 3.021 . 0 0 "[ ]" 1
453 1 46 HIS HA 1 46 HIS HB2 2.600 . 3.500 2.551 2.551 2.551 . 0 0 "[ ]" 1
454 1 46 HIS HA 1 47 PRO HD3 3.000 . 3.500 2.637 2.637 2.637 . 0 0 "[ ]" 1
455 1 46 HIS HA 1 46 HIS HD2 3.400 . 3.500 3.482 3.482 3.482 . 0 0 "[ ]" 1
456 1 46 HIS HB3 1 46 HIS HD2 3.300 . 3.500 3.115 3.115 3.115 . 0 0 "[ ]" 1
457 1 46 HIS HB2 1 46 HIS HD2 3.800 . 5.300 4.004 4.004 4.004 . 0 0 "[ ]" 1
458 1 48 LYS H 1 49 LYS H 3.000 . 3.500 2.964 2.964 2.964 . 0 0 "[ ]" 1
459 1 49 LYS H 1 49 LYS HA 3.000 . 3.500 2.944 2.944 2.944 . 0 0 "[ ]" 1
460 1 48 LYS HA 1 49 LYS H 4.000 . 5.300 3.545 3.545 3.545 . 0 0 "[ ]" 1
461 1 49 LYS H 1 50 GLY H 5.500 . 6.500 2.450 2.450 2.450 . 0 0 "[ ]" 1
462 1 48 LYS HG2 1 49 LYS H 5.000 . 5.300 4.256 4.256 4.256 . 0 0 "[ ]" 1
463 1 50 GLY H 1 51 VAL H 4.000 . 5.300 4.563 4.563 4.563 . 0 0 "[ ]" 1
464 1 50 GLY H 1 50 GLY HA3 3.000 . 3.500 2.873 2.873 2.873 . 0 0 "[ ]" 1
465 1 50 GLY H 1 50 GLY HA2 2.800 . 3.500 2.349 2.349 2.349 . 0 0 "[ ]" 1
466 1 46 HIS HB2 1 50 GLY H 5.500 . 6.500 6.417 6.417 6.417 . 0 0 "[ ]" 1
467 1 48 LYS HB2 1 50 GLY H 5.600 . 6.500 4.100 4.100 4.100 . 0 0 "[ ]" 1
468 1 49 LYS HA 1 50 GLY H 5.000 . 5.300 3.328 3.328 3.328 . 0 0 "[ ]" 1
469 1 51 VAL H 1 51 VAL QG 3.900 . 5.300 2.246 2.246 2.246 . 0 0 "[ ]" 1
470 1 50 GLY HA3 1 51 VAL H 2.400 . 2.700 2.696 2.696 2.696 . 0 0 "[ ]" 1
471 1 50 GLY HA2 1 51 VAL H 3.100 . 3.500 2.526 2.526 2.526 . 0 0 "[ ]" 1
472 1 51 VAL H 1 51 VAL HB 2.700 . 3.500 2.590 2.590 2.590 . 0 0 "[ ]" 1
473 1 51 VAL HA 1 51 VAL HB 3.000 . 3.500 3.031 3.031 3.031 . 0 0 "[ ]" 1
474 1 51 VAL HB 1 52 GLU H 3.500 . 5.300 3.343 3.343 3.343 . 0 0 "[ ]" 1
475 1 52 GLU H 1 52 GLU HG3 3.300 . 3.500 2.537 2.537 2.537 . 0 0 "[ ]" 1
476 1 52 GLU H 1 52 GLU HG2 3.700 . 5.300 4.144 4.144 4.144 . 0 0 "[ ]" 1
477 1 51 VAL HA 1 52 GLU H 2.900 . 3.500 3.372 3.372 3.372 . 0 0 "[ ]" 1
478 1 53 LYS HG3 1 54 TYR HE2 3.600 . 5.300 4.157 4.157 4.157 . 0 0 "[ ]" 1
479 1 54 TYR HE1 1 108 LEU MD2 5.900 . 6.500 4.692 4.692 4.692 . 0 0 "[ ]" 1
480 1 54 TYR HE1 1 138 ASN HB2 4.400 . 5.300 3.642 3.642 3.642 . 0 0 "[ ]" 1
481 1 54 TYR HE1 1 138 ASN HA 2.900 . 3.500 2.886 2.886 2.886 . 0 0 "[ ]" 1
482 1 54 TYR HE1 1 138 ASN HB3 3.000 . 3.500 1.922 1.922 1.922 . 0 0 "[ ]" 1
483 1 54 TYR HA 1 54 TYR QE 5.900 . 6.500 4.286 4.286 4.286 . 0 0 "[ ]" 1
484 1 54 TYR HD2 1 139 ILE MD 5.800 . 6.500 4.529 4.529 4.529 . 0 0 "[ ]" 1
485 1 54 TYR HD2 1 139 ILE MG 6.000 . 6.500 4.461 4.461 4.461 . 0 0 "[ ]" 1
486 1 54 TYR HD1 1 108 LEU MD2 5.200 . 5.300 3.798 3.798 3.798 . 0 0 "[ ]" 1
487 1 54 TYR HD1 1 138 ASN HB3 4.000 . 5.300 3.131 3.131 3.131 . 0 0 "[ ]" 1
488 1 54 TYR HD1 1 138 ASN HA 4.100 . 5.300 5.110 5.110 5.110 . 0 0 "[ ]" 1
489 1 54 TYR HA 1 54 TYR HD1 2.800 . 3.500 2.045 2.045 2.045 . 0 0 "[ ]" 1
490 1 54 TYR HD2 1 139 ILE HB 5.300 . 6.500 6.098 6.098 6.098 . 0 0 "[ ]" 1
491 1 54 TYR HD2 1 139 ILE QG 5.100 . 5.300 3.215 3.215 3.215 . 0 0 "[ ]" 1
492 1 53 LYS HG2 1 54 TYR HD2 5.000 . 5.300 2.681 2.681 2.681 . 0 0 "[ ]" 1
493 1 42 PRO HB3 1 54 TYR HD2 5.400 . 6.500 3.664 3.664 3.664 . 0 0 "[ ]" 1
494 1 42 PRO HB2 1 54 TYR HD2 5.300 . 6.500 2.718 2.718 2.718 . 0 0 "[ ]" 1
495 1 54 TYR HA 1 55 GLY H 3.000 . 3.500 3.053 3.053 3.053 . 0 0 "[ ]" 1
496 1 54 TYR H 1 55 GLY H 3.100 . 3.500 2.541 2.541 2.541 . 0 0 "[ ]" 1
497 1 52 GLU H 1 55 GLY H 5.100 . 5.300 3.885 3.885 3.885 . 0 0 "[ ]" 1
498 1 51 VAL MG1 1 55 GLY H 5.500 . 6.500 5.092 5.092 5.092 . 0 0 "[ ]" 1
499 1 53 LYS HB2 1 55 GLY H 5.700 . 6.500 5.205 5.205 5.205 . 0 0 "[ ]" 1
500 1 55 GLY H 1 56 PRO QG 5.500 . 6.500 4.522 4.522 4.522 . 0 0 "[ ]" 1
501 1 55 GLY QA 1 56 PRO QD 4.500 . 5.300 1.913 1.913 1.913 . 0 0 "[ ]" 1
502 1 58 ALA H 1 59 SER H 2.700 . 3.500 2.664 2.664 2.664 . 0 0 "[ ]" 1
503 1 58 ALA H 1 60 ALA H 4.100 . 5.300 4.364 4.364 4.364 . 0 0 "[ ]" 1
504 1 58 ALA H 1 61 PHE H 4.500 . 5.300 4.564 4.564 4.564 . 0 0 "[ ]" 1
505 1 58 ALA H 1 108 LEU MD1 5.500 . 6.500 3.733 3.733 3.733 . 0 0 "[ ]" 1
506 1 58 ALA H 1 108 LEU MD2 4.700 . 5.300 3.172 3.172 3.172 . 0 0 "[ ]" 1
507 1 58 ALA HA 1 61 PHE HB3 3.200 . 3.500 2.449 2.449 2.449 . 0 0 "[ ]" 1
508 1 58 ALA HA 1 61 PHE HB2 3.900 . 5.300 2.784 2.784 2.784 . 0 0 "[ ]" 1
509 1 58 ALA HA 1 108 LEU MD1 5.200 . 5.300 1.989 1.989 1.989 . 0 0 "[ ]" 1
510 1 59 SER H 1 59 SER HB3 3.500 . 5.300 3.628 3.628 3.628 . 0 0 "[ ]" 1
511 1 58 ALA MB 1 59 SER H 4.700 . 5.300 2.386 2.386 2.386 . 0 0 "[ ]" 1
512 1 59 SER H 1 60 ALA H 2.700 . 3.500 3.015 3.015 3.015 . 0 0 "[ ]" 1
513 1 59 SER H 1 60 ALA MB 5.900 . 6.500 4.572 4.572 4.572 . 0 0 "[ ]" 1
514 1 59 SER H 1 61 PHE H 4.500 . 5.300 4.109 4.109 4.109 . 0 0 "[ ]" 1
515 1 44 THR MG 1 59 SER H 5.300 . 6.500 4.703 4.703 4.703 . 0 0 "[ ]" 1
516 1 60 ALA H 1 60 ALA HA 2.700 . 3.500 2.857 2.857 2.857 . 0 0 "[ ]" 1
517 1 60 ALA H 1 60 ALA MB 3.500 . 3.500 2.043 2.043 2.043 . 0 0 "[ ]" 1
518 1 60 ALA H 1 61 PHE HB2 4.300 . 5.300 5.084 5.084 5.084 . 0 0 "[ ]" 1
519 1 59 SER HA 1 60 ALA H 3.800 . 5.300 3.588 3.588 3.588 . 0 0 "[ ]" 1
520 1 59 SER HB3 1 60 ALA H 4.500 . 5.300 3.390 3.390 3.390 . 0 0 "[ ]" 1
521 1 60 ALA H 1 61 PHE H 2.300 . 2.700 2.678 2.678 2.678 . 0 0 "[ ]" 1
522 1 60 ALA H 1 62 THR H 4.500 . 5.300 4.631 4.631 4.631 . 0 0 "[ ]" 1
523 1 60 ALA HA 1 63 LYS HB2 3.000 . 3.500 2.361 2.361 2.361 . 0 0 "[ ]" 1
524 1 61 PHE H 1 61 PHE HB2 2.700 . 3.500 2.564 2.564 2.564 . 0 0 "[ ]" 1
525 1 61 PHE H 1 61 PHE HB3 2.800 . 3.500 2.574 2.574 2.574 . 0 0 "[ ]" 1
526 1 61 PHE H 1 61 PHE HA 2.800 . 3.500 2.788 2.788 2.788 . 0 0 "[ ]" 1
527 1 60 ALA HA 1 61 PHE H 3.200 . 3.500 3.538 3.538 3.538 0.038 1 0 "[ ]" 1
528 1 60 ALA MB 1 61 PHE H 3.700 . 5.300 2.720 2.720 2.720 . 0 0 "[ ]" 1
529 1 61 PHE H 1 108 LEU MD1 5.200 . 5.300 3.886 3.886 3.886 . 0 0 "[ ]" 1
530 1 61 PHE H 1 103 LEU MD2 5.900 . 6.500 5.139 5.139 5.139 . 0 0 "[ ]" 1
531 1 61 PHE HA 1 61 PHE HB2 2.400 . 2.700 2.443 2.443 2.443 . 0 0 "[ ]" 1
532 1 61 PHE HA 1 61 PHE HB3 2.900 . 3.500 3.031 3.031 3.031 . 0 0 "[ ]" 1
533 1 61 PHE HB2 1 61 PHE QD 2.700 . 3.500 2.366 2.366 2.366 . 0 0 "[ ]" 1
534 1 61 PHE HB3 1 61 PHE QD 2.700 . 3.500 2.468 2.468 2.468 . 0 0 "[ ]" 1
535 1 61 PHE HA 1 61 PHE QD 3.400 . 3.500 3.032 3.032 3.032 . 0 0 "[ ]" 1
536 1 61 PHE H 1 61 PHE QD 4.400 . 5.300 4.211 4.211 4.211 . 0 0 "[ ]" 1
537 1 61 PHE HD2 1 108 LEU MD1 4.300 . 5.300 2.433 2.433 2.433 . 0 0 "[ ]" 1
538 1 61 PHE HD2 1 108 LEU MD2 6.000 . 6.500 4.804 4.804 4.804 . 0 0 "[ ]" 1
539 1 61 PHE HD1 1 103 LEU MD2 4.300 . 5.300 2.523 2.523 2.523 . 0 0 "[ ]" 1
540 1 61 PHE HD1 1 103 LEU HG 2.900 . 3.500 3.116 3.116 3.116 . 0 0 "[ ]" 1
541 1 61 PHE HD1 1 102 ALA MB 6.000 . 6.500 4.524 4.524 4.524 . 0 0 "[ ]" 1
542 1 61 PHE HD1 1 62 THR HA 3.000 . 3.500 2.713 2.713 2.713 . 0 0 "[ ]" 1
543 1 61 PHE HD1 1 103 LEU MD1 5.800 . 6.500 3.798 3.798 3.798 . 0 0 "[ ]" 1
544 1 61 PHE HD1 1 103 LEU HB3 5.300 . 6.500 5.568 5.568 5.568 . 0 0 "[ ]" 1
545 1 61 PHE HE2 1 108 LEU MD1 5.000 . 5.300 3.640 3.640 3.640 . 0 0 "[ ]" 1
546 1 61 PHE HE1 1 103 LEU MD2 5.200 . 5.300 3.500 3.500 3.500 . 0 0 "[ ]" 1
547 1 61 PHE HE1 1 103 LEU HB3 5.500 . 6.500 5.302 5.302 5.302 . 0 0 "[ ]" 1
548 1 61 PHE HB3 1 61 PHE QE 4.700 . 5.300 4.461 4.461 4.461 . 0 0 "[ ]" 1
549 1 61 PHE HB2 1 61 PHE QE 4.600 . 5.300 4.435 4.435 4.435 . 0 0 "[ ]" 1
550 1 61 PHE HE1 1 62 THR HA 3.800 . 5.300 3.895 3.895 3.895 . 0 0 "[ ]" 1
551 1 61 PHE HE1 1 102 ALA HA 5.100 . 5.300 4.985 4.985 4.985 . 0 0 "[ ]" 1
552 1 61 PHE HE1 1 102 ALA MB 3.900 . 5.300 2.283 2.283 2.283 . 0 0 "[ ]" 1
553 1 61 PHE HE1 1 103 LEU MD1 5.300 . 6.500 3.898 3.898 3.898 . 0 0 "[ ]" 1
554 1 61 PHE HE1 1 103 LEU HG 3.100 . 3.500 2.576 2.576 2.576 . 0 0 "[ ]" 1
555 1 61 PHE HA 1 61 PHE QE 5.900 . 6.500 4.687 4.687 4.687 . 0 0 "[ ]" 1
556 1 62 THR H 1 62 THR HA 2.700 . 3.500 2.902 2.902 2.902 . 0 0 "[ ]" 1
557 1 61 PHE HB3 1 62 THR H 2.800 . 3.500 2.299 2.299 2.299 . 0 0 "[ ]" 1
558 1 61 PHE HB2 1 62 THR H 3.500 . 5.300 3.746 3.746 3.746 . 0 0 "[ ]" 1
559 1 61 PHE HA 1 62 THR H 2.800 . 3.500 3.569 3.569 3.569 0.069 1 0 "[ ]" 1
560 1 62 THR H 1 62 THR HB 2.700 . 3.500 3.448 3.448 3.448 . 0 0 "[ ]" 1
561 1 61 PHE HD1 1 62 THR H 2.900 . 3.500 2.701 2.701 2.701 . 0 0 "[ ]" 1
562 1 62 THR H 1 63 LYS H 2.600 . 3.500 2.497 2.497 2.497 . 0 0 "[ ]" 1
563 1 62 THR H 1 64 LYS H 4.000 . 5.300 5.000 5.000 5.000 . 0 0 "[ ]" 1
564 1 61 PHE H 1 62 THR H 2.800 . 3.500 2.995 2.995 2.995 . 0 0 "[ ]" 1
565 1 62 THR H 1 63 LYS HB2 5.000 . 5.300 4.764 4.764 4.764 . 0 0 "[ ]" 1
566 1 60 ALA MB 1 62 THR H 5.400 . 6.500 4.772 4.772 4.772 . 0 0 "[ ]" 1
567 1 62 THR H 1 62 THR MG 4.200 . 5.300 3.116 3.116 3.116 . 0 0 "[ ]" 1
568 1 62 THR H 1 103 LEU MD2 4.600 . 5.300 3.793 3.793 3.793 . 0 0 "[ ]" 1
569 1 62 THR H 1 103 LEU MD1 5.400 . 6.500 4.900 4.900 4.900 . 0 0 "[ ]" 1
570 1 62 THR H 1 108 LEU MD1 5.300 . 6.500 4.495 4.495 4.495 . 0 0 "[ ]" 1
571 1 62 THR HA 1 65 MET HB3 2.700 . 3.500 2.034 2.034 2.034 . 0 0 "[ ]" 1
572 1 61 PHE HB2 1 62 THR HA 5.500 . 6.500 5.627 5.627 5.627 . 0 0 "[ ]" 1
573 1 62 THR HA 1 62 THR HB 2.900 . 3.500 2.740 2.740 2.740 . 0 0 "[ ]" 1
574 1 63 LYS H 1 63 LYS HA 2.700 . 3.500 2.847 2.847 2.847 . 0 0 "[ ]" 1
575 1 62 THR HA 1 63 LYS H 2.700 . 3.500 3.487 3.487 3.487 . 0 0 "[ ]" 1
576 1 61 PHE HA 1 63 LYS H 3.800 . 5.300 4.283 4.283 4.283 . 0 0 "[ ]" 1
577 1 63 LYS H 1 65 MET H 3.700 . 5.300 3.748 3.748 3.748 . 0 0 "[ ]" 1
578 1 63 LYS H 1 63 LYS HB2 2.500 . 2.700 2.505 2.505 2.505 . 0 0 "[ ]" 1
579 1 63 LYS H 1 63 LYS HD2 3.600 . 5.300 4.889 4.889 4.889 . 0 0 "[ ]" 1
580 1 63 LYS H 1 63 LYS HD3 4.500 . 5.300 5.073 5.073 5.073 . 0 0 "[ ]" 1
581 1 62 THR MG 1 63 LYS H 4.200 . 5.300 4.300 4.300 4.300 . 0 0 "[ ]" 1
582 1 63 LYS H 1 63 LYS HG3 3.700 . 5.300 4.454 4.454 4.454 . 0 0 "[ ]" 1
583 1 63 LYS H 1 63 LYS HB3 3.500 . 5.300 2.619 2.619 2.619 . 0 0 "[ ]" 1
584 1 63 LYS H 1 63 LYS HG2 3.900 . 5.300 4.481 4.481 4.481 . 0 0 "[ ]" 1
585 1 60 ALA HA 1 63 LYS H 3.100 . 3.500 3.059 3.059 3.059 . 0 0 "[ ]" 1
586 1 62 THR HB 1 63 LYS H 5.000 . 5.300 3.513 3.513 3.513 . 0 0 "[ ]" 1
587 1 63 LYS HA 1 63 LYS HB2 2.300 . 2.700 2.498 2.498 2.498 . 0 0 "[ ]" 1
588 1 63 LYS HA 1 63 LYS HB3 3.000 . 3.500 3.031 3.031 3.031 . 0 0 "[ ]" 1
589 1 63 LYS HA 1 67 GLU HG2 4.500 . 5.300 4.956 4.956 4.956 . 0 0 "[ ]" 1
590 1 63 LYS HA 1 63 LYS HG2 3.000 . 3.500 2.888 2.888 2.888 . 0 0 "[ ]" 1
591 1 63 LYS HA 1 66 VAL HB 5.400 . 6.500 6.079 6.079 6.079 . 0 0 "[ ]" 1
592 1 63 LYS HA 1 63 LYS QD 4.500 . 5.300 4.020 4.020 4.020 . 0 0 "[ ]" 1
593 1 63 LYS HA 1 64 LYS H 3.100 . 3.500 3.564 3.564 3.564 0.064 1 0 "[ ]" 1
594 1 64 LYS H 1 64 LYS HA 2.700 . 3.500 2.838 2.838 2.838 . 0 0 "[ ]" 1
595 1 61 PHE HA 1 64 LYS H 3.600 . 5.300 4.454 4.454 4.454 . 0 0 "[ ]" 1
596 1 63 LYS HG3 1 64 LYS H 3.500 . 5.300 4.286 4.286 4.286 . 0 0 "[ ]" 1
597 1 63 LYS HB3 1 64 LYS H 3.200 . 3.500 1.939 1.939 1.939 . 0 0 "[ ]" 1
598 1 64 LYS H 1 64 LYS HG2 4.500 . 5.300 4.193 4.193 4.193 . 0 0 "[ ]" 1
599 1 64 LYS H 1 64 LYS HD3 2.900 . 3.500 3.353 3.353 3.353 . 0 0 "[ ]" 1
600 1 64 LYS H 1 64 LYS HB2 2.100 . 2.700 2.254 2.254 2.254 . 0 0 "[ ]" 1
601 1 63 LYS H 1 64 LYS H 2.900 . 3.500 3.071 3.071 3.071 . 0 0 "[ ]" 1
602 1 63 LYS HB2 1 64 LYS H 3.500 . 5.300 3.492 3.492 3.492 . 0 0 "[ ]" 1
603 1 64 LYS HA 1 64 LYS HG2 3.500 . 5.300 3.211 3.211 3.211 . 0 0 "[ ]" 1
604 1 64 LYS HA 1 64 LYS HB2 2.700 . 3.500 2.998 2.998 2.998 . 0 0 "[ ]" 1
605 1 62 THR HA 1 65 MET H 3.700 . 5.300 3.488 3.488 3.488 . 0 0 "[ ]" 1
606 1 65 MET H 1 65 MET HA 2.800 . 3.500 2.807 2.807 2.807 . 0 0 "[ ]" 1
607 1 64 LYS HA 1 65 MET H 3.500 . 5.300 3.518 3.518 3.518 . 0 0 "[ ]" 1
608 1 65 MET H 1 65 MET QG 3.500 . 5.300 4.027 4.027 4.027 . 0 0 "[ ]" 1
609 1 65 MET H 1 66 VAL MG2 5.700 . 6.500 4.140 4.140 4.140 . 0 0 "[ ]" 1
610 1 65 MET H 1 66 VAL MG1 5.900 . 6.500 4.852 4.852 4.852 . 0 0 "[ ]" 1
611 1 62 THR MG 1 65 MET H 5.900 . 6.500 5.009 5.009 5.009 . 0 0 "[ ]" 1
612 1 64 LYS HG2 1 65 MET H 3.700 . 5.300 5.322 5.322 5.322 0.022 1 0 "[ ]" 1
613 1 63 LYS HB3 1 65 MET H 5.000 . 5.300 4.314 4.314 4.314 . 0 0 "[ ]" 1
614 1 63 LYS HB2 1 65 MET H 5.400 . 6.500 5.346 5.346 5.346 . 0 0 "[ ]" 1
615 1 64 LYS HB2 1 65 MET H 2.700 . 3.500 2.913 2.913 2.913 . 0 0 "[ ]" 1
616 1 65 MET H 1 65 MET HB2 3.000 . 3.500 2.541 2.541 2.541 . 0 0 "[ ]" 1
617 1 61 PHE HA 1 65 MET H 3.700 . 5.300 4.314 4.314 4.314 . 0 0 "[ ]" 1
618 1 64 LYS H 1 65 MET H 2.600 . 3.500 2.690 2.690 2.690 . 0 0 "[ ]" 1
619 1 65 MET H 1 66 VAL H 2.800 . 3.500 3.292 3.292 3.292 . 0 0 "[ ]" 1
620 1 65 MET HA 1 65 MET HB3 2.900 . 3.500 3.031 3.031 3.031 . 0 0 "[ ]" 1
621 1 65 MET HA 1 65 MET HB2 2.700 . 3.500 2.453 2.453 2.453 . 0 0 "[ ]" 1
622 1 65 MET HA 1 66 VAL MG1 5.900 . 6.500 4.735 4.735 4.735 . 0 0 "[ ]" 1
623 1 66 VAL H 1 66 VAL MG2 3.700 . 5.300 2.216 2.216 2.216 . 0 0 "[ ]" 1
624 1 66 VAL H 1 66 VAL MG1 3.800 . 5.300 2.056 2.056 2.056 . 0 0 "[ ]" 1
625 1 65 MET HB3 1 66 VAL H 2.500 . 2.700 1.891 1.891 1.891 . 0 0 "[ ]" 1
626 1 65 MET HB2 1 66 VAL H 4.000 . 5.300 3.468 3.468 3.468 . 0 0 "[ ]" 1
627 1 65 MET QG 1 66 VAL H 5.000 . 5.300 2.700 2.700 2.700 . 0 0 "[ ]" 1
628 1 17 ALA MB 1 66 VAL H 6.000 . 6.500 5.333 5.333 5.333 . 0 0 "[ ]" 1
629 1 66 VAL H 1 66 VAL HB 3.600 . 5.300 3.620 3.620 3.620 . 0 0 "[ ]" 1
630 1 64 LYS H 1 66 VAL H 3.600 . 5.300 5.288 5.288 5.288 . 0 0 "[ ]" 1
631 1 65 MET HA 1 66 VAL H 3.000 . 3.500 3.550 3.550 3.550 0.050 1 0 "[ ]" 1
632 1 63 LYS HA 1 66 VAL H 3.600 . 5.300 4.493 4.493 4.493 . 0 0 "[ ]" 1
633 1 62 THR HA 1 66 VAL H 3.400 . 3.500 3.487 3.487 3.487 . 0 0 "[ ]" 1
634 1 62 THR MG 1 66 VAL H 5.200 . 5.300 4.305 4.305 4.305 . 0 0 "[ ]" 1
635 1 66 VAL H 1 66 VAL HA 2.900 . 3.500 2.846 2.846 2.846 . 0 0 "[ ]" 1
636 1 66 VAL H 1 67 GLU H 2.600 . 3.500 2.703 2.703 2.703 . 0 0 "[ ]" 1
637 1 66 VAL HA 1 66 VAL HB 2.200 . 2.700 2.467 2.467 2.467 . 0 0 "[ ]" 1
638 1 66 VAL HA 1 69 ALA MB 4.800 . 5.300 2.117 2.117 2.117 . 0 0 "[ ]" 1
639 1 66 VAL HA 1 94 ALA MB 5.000 . 5.300 2.916 2.916 2.916 . 0 0 "[ ]" 1
640 1 67 GLU H 1 67 GLU HB3 3.500 . 5.300 3.518 3.518 3.518 . 0 0 "[ ]" 1
641 1 67 GLU H 1 67 GLU HB2 2.600 . 2.700 2.194 2.194 2.194 . 0 0 "[ ]" 1
642 1 66 VAL HB 1 67 GLU H 3.500 . 5.300 4.059 4.059 4.059 . 0 0 "[ ]" 1
643 1 67 GLU H 1 67 GLU HG2 3.600 . 5.300 3.709 3.709 3.709 . 0 0 "[ ]" 1
644 1 67 GLU H 1 67 GLU HG3 2.800 . 3.500 3.036 3.036 3.036 . 0 0 "[ ]" 1
645 1 63 LYS HA 1 67 GLU H 3.500 . 5.300 4.339 4.339 4.339 . 0 0 "[ ]" 1
646 1 64 LYS HA 1 67 GLU H 3.900 . 5.300 3.509 3.509 3.509 . 0 0 "[ ]" 1
647 1 67 GLU H 1 67 GLU HA 2.700 . 3.500 2.887 2.887 2.887 . 0 0 "[ ]" 1
648 1 67 GLU H 1 68 ASN H 2.600 . 2.700 2.567 2.567 2.567 . 0 0 "[ ]" 1
649 1 65 MET H 1 67 GLU H 3.900 . 5.300 3.699 3.699 3.699 . 0 0 "[ ]" 1
650 1 66 VAL MG1 1 67 GLU H 4.500 . 5.300 3.999 3.999 3.999 . 0 0 "[ ]" 1
651 1 66 VAL MG2 1 67 GLU H 3.900 . 5.300 2.100 2.100 2.100 . 0 0 "[ ]" 1
652 1 66 VAL HA 1 67 GLU H 3.900 . 5.300 3.458 3.458 3.458 . 0 0 "[ ]" 1
653 1 63 LYS HB3 1 67 GLU H 5.700 . 6.500 5.894 5.894 5.894 . 0 0 "[ ]" 1
654 1 14 LEU MD1 1 67 GLU H 5.400 . 6.500 4.853 4.853 4.853 . 0 0 "[ ]" 1
655 1 14 LEU HG 1 67 GLU H 5.500 . 6.500 6.280 6.280 6.280 . 0 0 "[ ]" 1
656 1 65 MET HA 1 68 ASN H 3.900 . 5.300 3.878 3.878 3.878 . 0 0 "[ ]" 1
657 1 67 GLU HA 1 68 ASN H 3.000 . 3.500 3.515 3.515 3.515 0.015 1 0 "[ ]" 1
658 1 68 ASN H 1 68 ASN HB2 2.500 . 2.700 2.442 2.442 2.442 . 0 0 "[ ]" 1
659 1 68 ASN H 1 68 ASN HB3 3.500 . 5.300 3.675 3.675 3.675 . 0 0 "[ ]" 1
660 1 67 GLU HB3 1 68 ASN H 3.200 . 3.500 3.503 3.503 3.503 0.003 1 0 "[ ]" 1
661 1 67 GLU HB2 1 68 ASN H 2.900 . 3.500 3.017 3.017 3.017 . 0 0 "[ ]" 1
662 1 66 VAL MG2 1 68 ASN H 5.800 . 6.500 4.326 4.326 4.326 . 0 0 "[ ]" 1
663 1 68 ASN H 1 69 ALA MB 5.300 . 6.500 3.898 3.898 3.898 . 0 0 "[ ]" 1
664 1 67 GLU HG3 1 68 ASN H 3.700 . 5.300 4.904 4.904 4.904 . 0 0 "[ ]" 1
665 1 67 GLU HG2 1 68 ASN H 3.800 . 5.300 4.988 4.988 4.988 . 0 0 "[ ]" 1
666 1 66 VAL HA 1 68 ASN H 4.800 . 5.300 4.013 4.013 4.013 . 0 0 "[ ]" 1
667 1 66 VAL H 1 68 ASN H 4.100 . 5.300 4.418 4.418 4.418 . 0 0 "[ ]" 1
668 1 68 ASN H 1 68 ASN HD21 3.500 . 5.300 3.910 3.910 3.910 . 0 0 "[ ]" 1
669 1 68 ASN H 1 68 ASN HD22 4.000 . 5.300 4.524 4.524 4.524 . 0 0 "[ ]" 1
670 1 64 LYS HG2 1 68 ASN HD21 4.400 . 5.300 4.383 4.383 4.383 . 0 0 "[ ]" 1
671 1 68 ASN HB3 1 68 ASN HD21 3.500 . 5.300 3.061 3.061 3.061 . 0 0 "[ ]" 1
672 1 64 LYS HA 1 68 ASN HD21 4.200 . 5.300 4.447 4.447 4.447 . 0 0 "[ ]" 1
673 1 68 ASN HB3 1 68 ASN HD22 3.900 . 5.300 3.851 3.851 3.851 . 0 0 "[ ]" 1
674 1 64 LYS HA 1 68 ASN HD22 4.500 . 5.300 4.096 4.096 4.096 . 0 0 "[ ]" 1
675 1 66 VAL HA 1 69 ALA H 3.300 . 3.500 3.022 3.022 3.022 . 0 0 "[ ]" 1
676 1 68 ASN HA 1 69 ALA H 2.700 . 3.500 3.388 3.388 3.388 . 0 0 "[ ]" 1
677 1 65 MET HA 1 69 ALA H 4.000 . 5.300 4.708 4.708 4.708 . 0 0 "[ ]" 1
678 1 67 GLU HA 1 69 ALA H 3.500 . 5.300 4.195 4.195 4.195 . 0 0 "[ ]" 1
679 1 68 ASN HB2 1 69 ALA H 3.500 . 5.300 3.323 3.323 3.323 . 0 0 "[ ]" 1
680 1 68 ASN HB3 1 69 ALA H 4.000 . 5.300 4.113 4.113 4.113 . 0 0 "[ ]" 1
681 1 69 ALA H 1 72 ILE MD 6.000 . 6.500 4.701 4.701 4.701 . 0 0 "[ ]" 1
682 1 69 ALA H 1 72 ILE HG13 4.400 . 5.300 5.294 5.294 5.294 . 0 0 "[ ]" 1
683 1 68 ASN H 1 69 ALA H 2.800 . 3.500 2.174 2.174 2.174 . 0 0 "[ ]" 1
684 1 67 GLU H 1 69 ALA H 3.700 . 5.300 3.735 3.735 3.735 . 0 0 "[ ]" 1
685 1 70 LYS H 1 70 LYS HA 2.700 . 3.500 2.908 2.908 2.908 . 0 0 "[ ]" 1
686 1 69 ALA HA 1 70 LYS H 3.600 . 5.300 2.254 2.254 2.254 . 0 0 "[ ]" 1
687 1 70 LYS H 1 95 ASP H 4.200 . 5.300 3.986 3.986 3.986 . 0 0 "[ ]" 1
688 1 70 LYS H 1 70 LYS HB3 3.500 . 5.300 3.635 3.635 3.635 . 0 0 "[ ]" 1
689 1 70 LYS H 1 70 LYS HB2 3.000 . 3.500 2.614 2.614 2.614 . 0 0 "[ ]" 1
690 1 70 LYS H 1 70 LYS HG2 3.100 . 3.500 1.953 1.953 1.953 . 0 0 "[ ]" 1
691 1 70 LYS H 1 70 LYS QD 5.000 . 5.300 3.437 3.437 3.437 . 0 0 "[ ]" 1
692 1 69 ALA MB 1 70 LYS H 4.000 . 5.300 2.918 2.918 2.918 . 0 0 "[ ]" 1
693 1 70 LYS H 1 70 LYS HG3 2.900 . 3.500 3.395 3.395 3.395 . 0 0 "[ ]" 1
694 1 69 ALA H 1 70 LYS H 5.400 . 6.500 4.663 4.663 4.663 . 0 0 "[ ]" 1
695 1 70 LYS HA 1 70 LYS HB3 2.500 . 2.700 2.415 2.415 2.415 . 0 0 "[ ]" 1
696 1 70 LYS HA 1 70 LYS HB2 2.700 . 3.500 3.030 3.030 3.030 . 0 0 "[ ]" 1
697 1 70 LYS HA 1 71 LYS H 3.300 . 3.500 3.478 3.478 3.478 . 0 0 "[ ]" 1
698 1 71 LYS H 1 71 LYS QD 5.100 . 5.300 4.376 4.376 4.376 . 0 0 "[ ]" 1
699 1 71 LYS H 1 71 LYS HB2 2.700 . 3.500 3.157 3.157 3.157 . 0 0 "[ ]" 1
700 1 71 LYS H 1 71 LYS HB3 3.600 . 5.300 3.991 3.991 3.991 . 0 0 "[ ]" 1
701 1 71 LYS H 1 71 LYS HG2 3.500 . 5.300 3.540 3.540 3.540 . 0 0 "[ ]" 1
702 1 69 ALA MB 1 71 LYS H 4.000 . 5.300 2.696 2.696 2.696 . 0 0 "[ ]" 1
703 1 70 LYS H 1 71 LYS H 2.800 . 3.500 2.470 2.470 2.470 . 0 0 "[ ]" 1
704 1 70 LYS HB2 1 71 LYS H 2.800 . 3.500 2.994 2.994 2.994 . 0 0 "[ ]" 1
705 1 71 LYS HA 1 72 ILE HG13 4.400 . 5.300 4.142 4.142 4.142 . 0 0 "[ ]" 1
706 1 71 LYS HA 1 71 LYS HG2 3.500 . 5.300 2.799 2.799 2.799 . 0 0 "[ ]" 1
707 1 72 ILE H 1 72 ILE HG12 4.300 . 5.300 4.565 4.565 4.565 . 0 0 "[ ]" 1
708 1 71 LYS HA 1 72 ILE H 3.400 . 3.500 2.356 2.356 2.356 . 0 0 "[ ]" 1
709 1 12 ALA H 1 72 ILE H 3.600 . 5.300 3.868 3.868 3.868 . 0 0 "[ ]" 1
710 1 72 ILE H 1 72 ILE HG13 3.300 . 3.500 3.466 3.466 3.466 . 0 0 "[ ]" 1
711 1 71 LYS HG2 1 72 ILE H 4.500 . 5.300 4.733 4.733 4.733 . 0 0 "[ ]" 1
712 1 71 LYS HB3 1 72 ILE H 3.300 . 3.500 2.874 2.874 2.874 . 0 0 "[ ]" 1
713 1 72 ILE H 1 72 ILE HB 2.600 . 2.700 2.667 2.667 2.667 . 0 0 "[ ]" 1
714 1 72 ILE HA 1 72 ILE HB 2.800 . 3.500 3.033 3.033 3.033 . 0 0 "[ ]" 1
715 1 72 ILE HA 1 94 ALA HA 2.700 . 3.500 3.114 3.114 3.114 . 0 0 "[ ]" 1
716 1 69 ALA MB 1 72 ILE HA 5.600 . 6.500 3.956 3.956 3.956 . 0 0 "[ ]" 1
717 1 72 ILE HA 1 94 ALA MB 5.400 . 6.500 4.036 4.036 4.036 . 0 0 "[ ]" 1
718 1 12 ALA MB 1 72 ILE MG 5.400 . 6.500 1.889 1.889 1.889 . 0 0 "[ ]" 1
719 1 72 ILE MG 1 73 GLU H 3.700 . 5.300 2.559 2.559 2.559 . 0 0 "[ ]" 1
720 1 73 GLU H 1 93 TYR HB2 3.200 . 3.500 3.345 3.345 3.345 . 0 0 "[ ]" 1
721 1 72 ILE HA 1 73 GLU H 2.500 . 2.700 2.196 2.196 2.196 . 0 0 "[ ]" 1
722 1 73 GLU H 1 74 VAL MG1 5.400 . 6.500 4.370 4.370 4.370 . 0 0 "[ ]" 1
723 1 72 ILE HB 1 73 GLU H 3.900 . 5.300 4.324 4.324 4.324 . 0 0 "[ ]" 1
724 1 73 GLU H 1 93 TYR HD1 4.100 . 5.300 4.438 4.438 4.438 . 0 0 "[ ]" 1
725 1 73 GLU H 1 92 ILE HA 4.400 . 5.300 4.168 4.168 4.168 . 0 0 "[ ]" 1
726 1 72 ILE HG13 1 73 GLU H 4.500 . 5.300 4.428 4.428 4.428 . 0 0 "[ ]" 1
727 1 73 GLU H 1 73 GLU QB 3.700 . 5.300 2.457 2.457 2.457 . 0 0 "[ ]" 1
728 1 12 ALA MB 1 73 GLU HA 4.900 . 5.300 2.657 2.657 2.657 . 0 0 "[ ]" 1
729 1 72 ILE HB 1 73 GLU HA 3.800 . 5.300 4.831 4.831 4.831 . 0 0 "[ ]" 1
730 1 11 PRO HA 1 73 GLU HA 2.600 . 2.700 2.707 2.707 2.707 0.007 1 0 "[ ]" 1
731 1 9 LYS HB3 1 73 GLU HA 5.300 . 6.500 6.341 6.341 6.341 . 0 0 "[ ]" 1
732 1 10 GLU H 1 74 VAL H 3.100 . 3.500 2.763 2.763 2.763 . 0 0 "[ ]" 1
733 1 73 GLU HA 1 74 VAL H 2.800 . 3.500 2.492 2.492 2.492 . 0 0 "[ ]" 1
734 1 9 LYS HA 1 74 VAL H 4.200 . 5.300 4.356 4.356 4.356 . 0 0 "[ ]" 1
735 1 11 PRO HA 1 74 VAL H 4.100 . 5.300 4.188 4.188 4.188 . 0 0 "[ ]" 1
736 1 73 GLU QB 1 74 VAL H 3.800 . 5.300 2.326 2.326 2.326 . 0 0 "[ ]" 1
737 1 74 VAL H 1 74 VAL HB 3.600 . 5.300 3.825 3.825 3.825 . 0 0 "[ ]" 1
738 1 74 VAL H 1 74 VAL MG2 4.100 . 5.300 1.865 1.865 1.865 . 0 0 "[ ]" 1
739 1 73 GLU H 1 74 VAL H 4.700 . 5.300 4.493 4.493 4.493 . 0 0 "[ ]" 1
740 1 74 VAL HA 1 92 ILE MD 5.700 . 6.500 5.202 5.202 5.202 . 0 0 "[ ]" 1
741 1 25 LEU MD1 1 74 VAL MG1 4.500 . 5.300 2.538 2.538 2.538 . 0 0 "[ ]" 1
742 1 72 ILE MG 1 74 VAL MG1 6.000 . 6.500 3.239 3.239 3.239 . 0 0 "[ ]" 1
743 1 74 VAL MG1 1 90 ALA MB 5.700 . 6.500 3.014 3.014 3.014 . 0 0 "[ ]" 1
744 1 74 VAL MG1 1 92 ILE HG13 5.900 . 6.500 3.719 3.719 3.719 . 0 0 "[ ]" 1
745 1 75 GLU H 1 93 TYR HE1 3.600 . 5.300 3.131 3.131 3.131 . 0 0 "[ ]" 1
746 1 75 GLU H 1 93 TYR HD1 4.000 . 5.300 3.903 3.903 3.903 . 0 0 "[ ]" 1
747 1 75 GLU H 1 90 ALA MB 3.900 . 5.300 2.058 2.058 2.058 . 0 0 "[ ]" 1
748 1 74 VAL MG1 1 75 GLU H 4.400 . 5.300 3.750 3.750 3.750 . 0 0 "[ ]" 1
749 1 74 VAL MG2 1 75 GLU H 4.600 . 5.300 3.928 3.928 3.928 . 0 0 "[ ]" 1
750 1 74 VAL HB 1 75 GLU H 2.900 . 3.500 2.925 2.925 2.925 . 0 0 "[ ]" 1
751 1 75 GLU H 1 75 GLU HB3 2.900 . 3.500 2.617 2.617 2.617 . 0 0 "[ ]" 1
752 1 75 GLU H 1 75 GLU HB2 3.100 . 3.500 3.247 3.247 3.247 . 0 0 "[ ]" 1
753 1 75 GLU H 1 93 TYR H 4.600 . 5.300 5.301 5.301 5.301 0.001 1 0 "[ ]" 1
754 1 75 GLU H 1 90 ALA HA 5.400 . 6.500 3.932 3.932 3.932 . 0 0 "[ ]" 1
755 1 75 GLU H 1 92 ILE HA 4.000 . 5.300 4.077 4.077 4.077 . 0 0 "[ ]" 1
756 1 74 VAL HA 1 75 GLU H 4.000 . 5.300 2.297 2.297 2.297 . 0 0 "[ ]" 1
757 1 75 GLU HA 1 75 GLU HB2 3.000 . 3.500 2.420 2.420 2.420 . 0 0 "[ ]" 1
758 1 75 GLU HA 1 75 GLU HG3 3.000 . 3.500 2.437 2.437 2.437 . 0 0 "[ ]" 1
759 1 75 GLU HA 1 75 GLU HG2 4.100 . 5.300 3.581 3.581 3.581 . 0 0 "[ ]" 1
760 1 9 LYS HA 1 75 GLU HA 3.000 . 3.500 2.558 2.558 2.558 . 0 0 "[ ]" 1
761 1 76 PHE H 1 76 PHE HB2 2.700 . 3.500 2.551 2.551 2.551 . 0 0 "[ ]" 1
762 1 75 GLU HA 1 76 PHE H 2.500 . 2.700 2.256 2.256 2.256 . 0 0 "[ ]" 1
763 1 76 PHE H 1 76 PHE HD2 2.800 . 3.500 2.193 2.193 2.193 . 0 0 "[ ]" 1
764 1 76 PHE H 1 90 ALA MB 4.800 . 5.300 2.985 2.985 2.985 . 0 0 "[ ]" 1
765 1 76 PHE H 1 76 PHE QE 6.000 . 6.500 3.994 3.994 3.994 . 0 0 "[ ]" 1
766 1 76 PHE H 1 76 PHE HB3 3.500 . 5.300 3.626 3.626 3.626 . 0 0 "[ ]" 1
767 1 74 VAL MG2 1 76 PHE H 5.400 . 6.500 4.107 4.107 4.107 . 0 0 "[ ]" 1
768 1 74 VAL HB 1 76 PHE H 4.800 . 5.300 4.471 4.471 4.471 . 0 0 "[ ]" 1
769 1 75 GLU HB3 1 76 PHE H 3.700 . 5.300 4.502 4.502 4.502 . 0 0 "[ ]" 1
770 1 75 GLU HB2 1 76 PHE H 3.700 . 5.300 4.512 4.512 4.512 . 0 0 "[ ]" 1
771 1 76 PHE HA 1 76 PHE HB2 2.800 . 3.500 3.035 3.035 3.035 . 0 0 "[ ]" 1
772 1 76 PHE HA 1 76 PHE HB3 2.700 . 3.500 2.453 2.453 2.453 . 0 0 "[ ]" 1
773 1 74 VAL MG2 1 76 PHE HE2 4.800 . 6.500 2.413 2.413 2.413 . 0 0 "[ ]" 1
774 1 76 PHE HE1 1 90 ALA MB 5.900 . 6.500 3.070 3.070 3.070 . 0 0 "[ ]" 1
775 1 32 MET ME 1 76 PHE HE1 6.000 . 6.500 3.753 3.753 3.753 . 0 0 "[ ]" 1
776 1 76 PHE HE1 1 88 GLY HA2 3.600 . 5.300 3.639 3.639 3.639 . 0 0 "[ ]" 1
777 1 76 PHE HE1 1 88 GLY HA3 3.100 . 3.500 3.176 3.176 3.176 . 0 0 "[ ]" 1
778 1 74 VAL HB 1 76 PHE HE2 4.800 . 5.300 4.192 4.192 4.192 . 0 0 "[ ]" 1
779 1 76 PHE HB2 1 76 PHE QE 4.700 . 5.300 4.441 4.441 4.441 . 0 0 "[ ]" 1
780 1 76 PHE HA 1 76 PHE HD1 2.600 . 3.500 2.845 2.845 2.845 . 0 0 "[ ]" 1
781 1 76 PHE HD1 1 81 ARG HG2 3.300 . 3.500 2.183 2.183 2.183 . 0 0 "[ ]" 1
782 1 76 PHE HD1 1 81 ARG HB2 4.200 . 5.300 4.723 4.723 4.723 . 0 0 "[ ]" 1
783 1 76 PHE HB3 1 76 PHE QD 2.700 . 3.500 2.446 2.446 2.446 . 0 0 "[ ]" 1
784 1 76 PHE HB2 1 76 PHE QD 2.700 . 3.500 2.384 2.384 2.384 . 0 0 "[ ]" 1
785 1 76 PHE HD1 1 90 ALA MB 5.700 . 6.500 2.514 2.514 2.514 . 0 0 "[ ]" 1
786 1 74 VAL MG2 1 76 PHE HD2 5.800 . 6.500 3.759 3.759 3.759 . 0 0 "[ ]" 1
787 1 74 VAL MG2 1 76 PHE HZ 5.900 . 6.500 2.999 2.999 2.999 . 0 0 "[ ]" 1
788 1 32 MET ME 1 76 PHE HZ 5.000 . 5.300 4.184 4.184 4.184 . 0 0 "[ ]" 1
789 1 34 PHE HE2 1 76 PHE HZ 2.700 . 3.500 2.500 2.500 2.500 . 0 0 "[ ]" 1
790 1 76 PHE HZ 1 90 ALA MB 5.900 . 6.500 3.834 3.834 3.834 . 0 0 "[ ]" 1
791 1 76 PHE HD1 1 77 ASP H 3.600 . 5.300 4.227 4.227 4.227 . 0 0 "[ ]" 1
792 1 37 LEU MD1 1 77 ASP H 4.700 . 5.300 3.295 3.295 3.295 . 0 0 "[ ]" 1
793 1 76 PHE HB2 1 77 ASP H 3.800 . 5.300 4.061 4.061 4.061 . 0 0 "[ ]" 1
794 1 76 PHE HB3 1 77 ASP H 3.400 . 3.500 3.147 3.147 3.147 . 0 0 "[ ]" 1
795 1 77 ASP H 1 77 ASP HB2 3.500 . 3.500 2.134 2.134 2.134 . 0 0 "[ ]" 1
796 1 76 PHE HA 1 77 ASP H 3.500 . 3.500 2.236 2.236 2.236 . 0 0 "[ ]" 1
797 1 77 ASP H 1 118 ASN HA 5.500 . 6.500 5.435 5.435 5.435 . 0 0 "[ ]" 1
798 1 77 ASP H 1 89 LEU HB2 5.500 . 6.500 4.511 4.511 4.511 . 0 0 "[ ]" 1
799 1 77 ASP HA 1 118 ASN HA 5.500 . 6.500 5.065 5.065 5.065 . 0 0 "[ ]" 1
800 1 77 ASP HA 1 77 ASP HB3 3.000 . 3.500 2.901 2.901 2.901 . 0 0 "[ ]" 1
801 1 77 ASP HA 1 77 ASP HB2 2.700 . 3.500 2.812 2.812 2.812 . 0 0 "[ ]" 1
802 1 37 LEU MD1 1 77 ASP HA 5.500 . 6.500 4.901 4.901 4.901 . 0 0 "[ ]" 1
803 1 77 ASP HA 1 78 LYS HD3 4.200 . 5.300 5.237 5.237 5.237 . 0 0 "[ ]" 1
804 1 77 ASP HA 1 78 LYS HD2 5.800 . 6.500 4.861 4.861 4.861 . 0 0 "[ ]" 1
805 1 77 ASP HA 1 78 LYS HB3 4.100 . 5.300 4.758 4.758 4.758 . 0 0 "[ ]" 1
806 1 77 ASP HA 1 78 LYS HB2 5.500 . 6.500 5.968 5.968 5.968 . 0 0 "[ ]" 1
807 1 7 LEU MD1 1 77 ASP HA 3.300 . 3.500 1.913 1.913 1.913 . 0 0 "[ ]" 1
808 1 7 LEU MD2 1 77 ASP HA 3.100 . 3.500 2.385 2.385 2.385 . 0 0 "[ ]" 1
809 1 7 LEU HB2 1 77 ASP HA 5.800 . 6.500 4.911 4.911 4.911 . 0 0 "[ ]" 1
810 1 77 ASP HA 1 120 THR H 5.500 . 6.500 5.324 5.324 5.324 . 0 0 "[ ]" 1
811 1 77 ASP HA 1 120 THR MG 5.900 . 6.500 5.196 5.196 5.196 . 0 0 "[ ]" 1
812 1 78 LYS H 1 78 LYS HB2 4.000 . 5.300 3.631 3.631 3.631 . 0 0 "[ ]" 1
813 1 78 LYS H 1 78 LYS HB3 3.300 . 3.500 2.761 2.761 2.761 . 0 0 "[ ]" 1
814 1 77 ASP HA 1 78 LYS H 3.500 . 3.500 2.685 2.685 2.685 . 0 0 "[ ]" 1
815 1 77 ASP HB3 1 78 LYS H 3.500 . 3.500 2.353 2.353 2.353 . 0 0 "[ ]" 1
816 1 78 LYS H 1 79 GLY H 2.700 . 3.500 2.390 2.390 2.390 . 0 0 "[ ]" 1
817 1 78 LYS H 1 78 LYS QE 5.000 . 5.300 4.362 4.362 4.362 . 0 0 "[ ]" 1
818 1 78 LYS H 1 78 LYS HD3 3.000 . 3.500 3.128 3.128 3.128 . 0 0 "[ ]" 1
819 1 78 LYS H 1 78 LYS HD2 3.900 . 5.300 2.923 2.923 2.923 . 0 0 "[ ]" 1
820 1 78 LYS H 1 78 LYS HG3 3.900 . 5.300 3.490 3.490 3.490 . 0 0 "[ ]" 1
821 1 78 LYS H 1 78 LYS HG2 5.000 . 5.300 1.900 1.900 1.900 . 0 0 "[ ]" 1
822 1 78 LYS HA 1 78 LYS HB3 2.600 . 2.700 2.444 2.444 2.444 . 0 0 "[ ]" 1
823 1 7 LEU MD2 1 78 LYS HA 4.600 . 5.300 3.130 3.130 3.130 . 0 0 "[ ]" 1
824 1 78 LYS HA 1 78 LYS HD3 4.300 . 5.300 5.147 5.147 5.147 . 0 0 "[ ]" 1
825 1 78 LYS HA 1 78 LYS HD2 4.700 . 5.300 4.195 4.195 4.195 . 0 0 "[ ]" 1
826 1 78 LYS HA 1 79 GLY H 3.600 . 5.300 3.445 3.445 3.445 . 0 0 "[ ]" 1
827 1 78 LYS HB2 1 79 GLY H 4.000 . 5.300 4.025 4.025 4.025 . 0 0 "[ ]" 1
828 1 78 LYS HD2 1 79 GLY H 5.500 . 6.500 4.701 4.701 4.701 . 0 0 "[ ]" 1
829 1 78 LYS HD3 1 79 GLY H 5.000 . 5.300 4.367 4.367 4.367 . 0 0 "[ ]" 1
830 1 77 ASP HB3 1 79 GLY H 3.200 . 3.500 2.112 2.112 2.112 . 0 0 "[ ]" 1
831 1 77 ASP HB2 1 79 GLY H 4.800 . 5.300 3.808 3.808 3.808 . 0 0 "[ ]" 1
832 1 79 GLY H 1 79 GLY HA3 2.900 . 3.500 2.353 2.353 2.353 . 0 0 "[ ]" 1
833 1 79 GLY H 1 118 ASN HA 3.300 . 3.500 3.266 3.266 3.266 . 0 0 "[ ]" 1
834 1 79 GLY H 1 119 ASN H 5.500 . 6.500 5.153 5.153 5.153 . 0 0 "[ ]" 1
835 1 80 GLN H 1 80 GLN HB2 3.000 . 3.500 2.587 2.587 2.587 . 0 0 "[ ]" 1
836 1 80 GLN H 1 80 GLN HB3 3.500 . 5.300 3.618 3.618 3.618 . 0 0 "[ ]" 1
837 1 80 GLN H 1 80 GLN QG 3.000 . 3.500 1.932 1.932 1.932 . 0 0 "[ ]" 1
838 1 79 GLY HA3 1 80 GLN H 2.500 . 2.700 2.339 2.339 2.339 . 0 0 "[ ]" 1
839 1 79 GLY HA2 1 80 GLN H 3.300 . 3.500 2.926 2.926 2.926 . 0 0 "[ ]" 1
840 1 80 GLN H 1 81 ARG H 4.400 . 5.300 4.679 4.679 4.679 . 0 0 "[ ]" 1
841 1 81 ARG H 1 82 THR H 2.500 . 2.700 2.112 2.112 2.112 . 0 0 "[ ]" 1
842 1 80 GLN HA 1 81 ARG H 2.400 . 2.700 2.445 2.445 2.445 . 0 0 "[ ]" 1
843 1 80 GLN HB2 1 81 ARG H 3.500 . 5.300 3.568 3.568 3.568 . 0 0 "[ ]" 1
844 1 80 GLN HB3 1 81 ARG H 3.200 . 3.500 2.534 2.534 2.534 . 0 0 "[ ]" 1
845 1 80 GLN QG 1 81 ARG H 4.900 . 5.300 4.004 4.004 4.004 . 0 0 "[ ]" 1
846 1 81 ARG H 1 81 ARG HB2 2.600 . 2.700 2.534 2.534 2.534 . 0 0 "[ ]" 1
847 1 81 ARG H 1 81 ARG HB3 3.600 . 5.300 2.932 2.932 2.932 . 0 0 "[ ]" 1
848 1 81 ARG H 1 81 ARG QG 3.500 . 5.300 4.011 4.011 4.011 . 0 0 "[ ]" 1
849 1 81 ARG H 1 82 THR MG 5.500 . 6.500 3.622 3.622 3.622 . 0 0 "[ ]" 1
850 1 80 GLN HB3 1 82 THR H 2.900 . 3.500 2.636 2.636 2.636 . 0 0 "[ ]" 1
851 1 80 GLN QG 1 82 THR H 5.500 . 6.500 4.621 4.621 4.621 . 0 0 "[ ]" 1
852 1 81 ARG HA 1 82 THR H 3.200 . 3.500 3.391 3.391 3.391 . 0 0 "[ ]" 1
853 1 82 THR H 1 82 THR MG 4.300 . 5.300 2.773 2.773 2.773 . 0 0 "[ ]" 1
854 1 81 ARG HB2 1 82 THR H 3.600 . 5.300 3.950 3.950 3.950 . 0 0 "[ ]" 1
855 1 82 THR H 1 89 LEU MD1 4.700 . 5.300 3.578 3.578 3.578 . 0 0 "[ ]" 1
856 1 81 ARG QG 1 82 THR H 5.400 . 6.500 4.448 4.448 4.448 . 0 0 "[ ]" 1
857 1 82 THR H 1 82 THR HB 3.800 . 5.300 3.941 3.941 3.941 . 0 0 "[ ]" 1
858 1 81 ARG HB3 1 82 THR H 4.100 . 5.300 3.363 3.363 3.363 . 0 0 "[ ]" 1
859 1 80 GLN HB2 1 82 THR H 3.500 . 3.500 3.390 3.390 3.390 . 0 0 "[ ]" 1
860 1 82 THR HA 1 82 THR HB 2.400 . 2.700 2.369 2.369 2.369 . 0 0 "[ ]" 1
861 1 82 THR HA 1 88 GLY HA2 2.500 . 2.700 2.718 2.718 2.718 0.018 1 0 "[ ]" 1
862 1 82 THR HA 1 88 GLY HA3 4.200 . 5.300 4.473 4.473 4.473 . 0 0 "[ ]" 1
863 1 82 THR HA 1 86 GLY HA2 4.700 . 5.300 4.978 4.978 4.978 . 0 0 "[ ]" 1
864 1 82 THR HA 1 89 LEU HG 2.900 . 3.500 2.677 2.677 2.677 . 0 0 "[ ]" 1
865 1 82 THR HA 1 89 LEU HB2 4.000 . 5.300 4.441 4.441 4.441 . 0 0 "[ ]" 1
866 1 82 THR HA 1 89 LEU QD 5.000 . 5.300 3.036 3.036 3.036 . 0 0 "[ ]" 1
867 1 32 MET ME 1 82 THR HA 6.000 . 6.500 4.971 4.971 4.971 . 0 0 "[ ]" 1
868 1 82 THR HA 1 83 ASP H 2.600 . 3.500 2.292 2.292 2.292 . 0 0 "[ ]" 1
869 1 82 THR HB 1 83 ASP H 3.000 . 3.500 3.003 3.003 3.003 . 0 0 "[ ]" 1
870 1 83 ASP H 1 83 ASP HB3 3.200 . 3.500 3.413 3.413 3.413 . 0 0 "[ ]" 1
871 1 83 ASP H 1 83 ASP HB2 4.000 . 5.300 2.175 2.175 2.175 . 0 0 "[ ]" 1
872 1 83 ASP H 1 89 LEU HG 3.200 . 3.500 3.133 3.133 3.133 . 0 0 "[ ]" 1
873 1 82 THR MG 1 83 ASP H 4.400 . 5.300 4.137 4.137 4.137 . 0 0 "[ ]" 1
874 1 83 ASP H 1 89 LEU QD 5.400 . 6.500 2.836 2.836 2.836 . 0 0 "[ ]" 1
875 1 83 ASP H 1 87 ARG H 2.700 . 3.500 2.965 2.965 2.965 . 0 0 "[ ]" 1
876 1 83 ASP HA 1 83 ASP HB2 3.000 . 3.500 2.938 2.938 2.938 . 0 0 "[ ]" 1
877 1 83 ASP HA 1 89 LEU MD1 4.000 . 5.300 2.923 2.923 2.923 . 0 0 "[ ]" 1
878 1 84 LYS H 1 84 LYS HG3 3.000 . 3.500 3.162 3.162 3.162 . 0 0 "[ ]" 1
879 1 84 LYS H 1 84 LYS HG2 2.700 . 3.500 1.871 1.871 1.871 . 0 0 "[ ]" 1
880 1 83 ASP HB3 1 84 LYS H 3.600 . 5.300 1.935 1.935 1.935 . 0 0 "[ ]" 1
881 1 83 ASP HB2 1 84 LYS H 2.700 . 3.500 3.503 3.503 3.503 0.003 1 0 "[ ]" 1
882 1 83 ASP HA 1 84 LYS H 4.400 . 5.300 2.745 2.745 2.745 . 0 0 "[ ]" 1
883 1 84 LYS H 1 84 LYS HB3 3.400 . 3.500 2.666 2.666 2.666 . 0 0 "[ ]" 1
884 1 84 LYS H 1 84 LYS HB2 3.600 . 5.300 3.629 3.629 3.629 . 0 0 "[ ]" 1
885 1 84 LYS HA 1 84 LYS HB3 2.300 . 2.700 2.462 2.462 2.462 . 0 0 "[ ]" 1
886 1 84 LYS HA 1 84 LYS HG2 3.600 . 5.300 3.683 3.683 3.683 . 0 0 "[ ]" 1
887 1 85 TYR H 1 85 TYR HB2 3.200 . 3.500 2.437 2.437 2.437 . 0 0 "[ ]" 1
888 1 84 LYS HG3 1 85 TYR H 3.400 . 3.500 3.012 3.012 3.012 . 0 0 "[ ]" 1
889 1 84 LYS HG2 1 85 TYR H 3.500 . 5.300 3.007 3.007 3.007 . 0 0 "[ ]" 1
890 1 85 TYR H 1 85 TYR HD2 3.200 . 3.500 2.903 2.903 2.903 . 0 0 "[ ]" 1
891 1 84 LYS H 1 85 TYR H 2.800 . 3.500 2.525 2.525 2.525 . 0 0 "[ ]" 1
892 1 85 TYR H 1 85 TYR HB3 3.500 . 5.300 3.664 3.664 3.664 . 0 0 "[ ]" 1
893 1 84 LYS HA 1 85 TYR H 2.600 . 3.500 3.385 3.385 3.385 . 0 0 "[ ]" 1
894 1 85 TYR H 1 87 ARG H 3.800 . 5.300 3.238 3.238 3.238 . 0 0 "[ ]" 1
895 1 84 LYS HB2 1 85 TYR H 3.900 . 5.300 4.175 4.175 4.175 . 0 0 "[ ]" 1
896 1 84 LYS HB3 1 85 TYR H 4.100 . 5.300 4.272 4.272 4.272 . 0 0 "[ ]" 1
897 1 85 TYR HA 1 85 TYR HB3 2.500 . 2.700 2.513 2.513 2.513 . 0 0 "[ ]" 1
898 1 85 TYR HB2 1 85 TYR QD 2.700 . 3.500 2.323 2.323 2.323 . 0 0 "[ ]" 1
899 1 85 TYR HB3 1 85 TYR QD 2.800 . 3.500 2.552 2.552 2.552 . 0 0 "[ ]" 1
900 1 85 TYR HA 1 85 TYR HD1 2.700 . 3.500 2.496 2.496 2.496 . 0 0 "[ ]" 1
901 1 84 LYS QG 1 85 TYR HD2 5.500 . 6.500 2.957 2.957 2.957 . 0 0 "[ ]" 1
902 1 84 LYS HB3 1 85 TYR HD2 5.500 . 6.500 5.642 5.642 5.642 . 0 0 "[ ]" 1
903 1 84 LYS HB2 1 85 TYR HD2 5.600 . 6.500 5.627 5.627 5.627 . 0 0 "[ ]" 1
904 1 85 TYR HA 1 85 TYR QE 4.700 . 5.300 4.404 4.404 4.404 . 0 0 "[ ]" 1
905 1 84 LYS QE 1 85 TYR HE2 4.600 . 5.300 3.142 3.142 3.142 . 0 0 "[ ]" 1
906 1 86 GLY H 1 86 GLY HA2 2.900 . 3.500 2.360 2.360 2.360 . 0 0 "[ ]" 1
907 1 85 TYR HB2 1 86 GLY H 4.000 . 5.300 3.635 3.635 3.635 . 0 0 "[ ]" 1
908 1 85 TYR HB3 1 86 GLY H 4.300 . 5.300 4.298 4.298 4.298 . 0 0 "[ ]" 1
909 1 86 GLY H 1 87 ARG H 2.900 . 3.500 2.473 2.473 2.473 . 0 0 "[ ]" 1
910 1 86 GLY H 1 87 ARG HA 5.900 . 6.500 5.184 5.184 5.184 . 0 0 "[ ]" 1
911 1 84 LYS HA 1 86 GLY H 4.200 . 5.300 3.560 3.560 3.560 . 0 0 "[ ]" 1
912 1 82 THR HB 1 86 GLY H 4.000 . 5.300 4.192 4.192 4.192 . 0 0 "[ ]" 1
913 1 82 THR MG 1 87 ARG H 6.000 . 6.500 5.261 5.261 5.261 . 0 0 "[ ]" 1
914 1 87 ARG H 1 87 ARG HB2 3.200 . 3.500 2.492 2.492 2.492 . 0 0 "[ ]" 1
915 1 82 THR HA 1 87 ARG H 4.700 . 5.300 4.564 4.564 4.564 . 0 0 "[ ]" 1
916 1 87 ARG H 1 87 ARG HA 2.700 . 3.500 2.937 2.937 2.937 . 0 0 "[ ]" 1
917 1 86 GLY HA3 1 87 ARG H 4.800 . 5.300 3.417 3.417 3.417 . 0 0 "[ ]" 1
918 1 86 GLY HA2 1 87 ARG H 3.900 . 5.300 3.138 3.138 3.138 . 0 0 "[ ]" 1
919 1 87 ARG H 1 87 ARG HB3 3.600 . 5.300 3.647 3.647 3.647 . 0 0 "[ ]" 1
920 1 85 TYR HB3 1 87 ARG H 4.300 . 5.300 3.949 3.949 3.949 . 0 0 "[ ]" 1
921 1 82 THR HB 1 87 ARG H 4.200 . 5.300 3.992 3.992 3.992 . 0 0 "[ ]" 1
922 1 87 ARG H 1 87 ARG HG2 4.400 . 5.300 3.199 3.199 3.199 . 0 0 "[ ]" 1
923 1 87 ARG H 1 87 ARG HG3 4.400 . 5.300 2.464 2.464 2.464 . 0 0 "[ ]" 1
924 1 33 THR MG 1 87 ARG HA 5.400 . 6.500 4.589 4.589 4.589 . 0 0 "[ ]" 1
925 1 87 ARG HA 1 87 ARG HG3 4.000 . 5.300 3.343 3.343 3.343 . 0 0 "[ ]" 1
926 1 87 ARG HA 1 87 ARG HG2 3.100 . 3.500 2.355 2.355 2.355 . 0 0 "[ ]" 1
927 1 88 GLY H 1 88 GLY HA3 3.000 . 3.500 2.383 2.383 2.383 . 0 0 "[ ]" 1
928 1 34 PHE HA 1 88 GLY H 3.200 . 3.500 2.834 2.834 2.834 . 0 0 "[ ]" 1
929 1 87 ARG HA 1 88 GLY H 3.300 . 3.500 2.283 2.283 2.283 . 0 0 "[ ]" 1
930 1 34 PHE HB3 1 88 GLY H 4.900 . 5.300 5.319 5.319 5.319 0.019 1 0 "[ ]" 1
931 1 87 ARG HG2 1 88 GLY H 4.300 . 5.300 4.304 4.304 4.304 . 0 0 "[ ]" 1
932 1 82 THR MG 1 88 GLY H 5.900 . 6.500 5.022 5.022 5.022 . 0 0 "[ ]" 1
933 1 87 ARG HB2 1 88 GLY H 4.100 . 5.300 3.941 3.941 3.941 . 0 0 "[ ]" 1
934 1 34 PHE QD 1 88 GLY H 4.700 . 5.300 4.399 4.399 4.399 . 0 0 "[ ]" 1
935 1 88 GLY H 1 89 LEU H 4.400 . 5.300 4.547 4.547 4.547 . 0 0 "[ ]" 1
936 1 34 PHE H 1 88 GLY H 5.200 . 5.300 4.917 4.917 4.917 . 0 0 "[ ]" 1
937 1 32 MET ME 1 88 GLY H 3.400 . 3.500 2.761 2.761 2.761 . 0 0 "[ ]" 1
938 1 76 PHE HE1 1 88 GLY H 5.800 . 6.500 5.548 5.548 5.548 . 0 0 "[ ]" 1
939 1 82 THR HA 1 89 LEU H 3.100 . 3.500 3.013 3.013 3.013 . 0 0 "[ ]" 1
940 1 76 PHE HE1 1 89 LEU H 3.100 . 3.500 3.507 3.507 3.507 0.007 1 0 "[ ]" 1
941 1 82 THR H 1 89 LEU H 4.200 . 5.300 4.713 4.713 4.713 . 0 0 "[ ]" 1
942 1 88 GLY HA2 1 89 LEU H 2.800 . 3.500 2.209 2.209 2.209 . 0 0 "[ ]" 1
943 1 88 GLY HA3 1 89 LEU H 3.500 . 3.500 3.195 3.195 3.195 . 0 0 "[ ]" 1
944 1 89 LEU H 1 89 LEU HB2 2.900 . 3.500 2.691 2.691 2.691 . 0 0 "[ ]" 1
945 1 89 LEU H 1 89 LEU HG 3.000 . 3.500 2.235 2.235 2.235 . 0 0 "[ ]" 1
946 1 89 LEU H 1 89 LEU HB3 3.600 . 5.300 3.740 3.740 3.740 . 0 0 "[ ]" 1
947 1 82 THR MG 1 89 LEU H 5.600 . 6.500 3.767 3.767 3.767 . 0 0 "[ ]" 1
948 1 76 PHE HD1 1 89 LEU H 4.200 . 5.300 3.322 3.322 3.322 . 0 0 "[ ]" 1
949 1 37 LEU HG 1 89 LEU HA 3.400 . 3.500 3.161 3.161 3.161 . 0 0 "[ ]" 1
950 1 89 LEU HA 1 89 LEU HB3 2.500 . 2.700 2.387 2.387 2.387 . 0 0 "[ ]" 1
951 1 89 LEU MD2 1 90 ALA H 4.900 . 5.300 3.797 3.797 3.797 . 0 0 "[ ]" 1
952 1 37 LEU HG 1 90 ALA H 3.000 . 3.500 3.103 3.103 3.103 . 0 0 "[ ]" 1
953 1 89 LEU HA 1 90 ALA H 2.700 . 3.500 2.179 2.179 2.179 . 0 0 "[ ]" 1
954 1 37 LEU MD1 1 90 ALA H 5.000 . 5.300 2.544 2.544 2.544 . 0 0 "[ ]" 1
955 1 89 LEU HG 1 90 ALA H 4.900 . 5.300 5.105 5.105 5.105 . 0 0 "[ ]" 1
956 1 89 LEU HB2 1 90 ALA H 4.100 . 5.300 4.169 4.169 4.169 . 0 0 "[ ]" 1
957 1 34 PHE HE2 1 90 ALA H 5.100 . 5.300 4.900 4.900 4.900 . 0 0 "[ ]" 1
958 1 37 LEU H 1 90 ALA H 3.500 . 5.300 4.209 4.209 4.209 . 0 0 "[ ]" 1
959 1 89 LEU HB3 1 90 ALA H 3.400 . 3.500 3.512 3.512 3.512 0.012 1 0 "[ ]" 1
960 1 37 LEU MD1 1 90 ALA HA 4.800 . 5.300 2.606 2.606 2.606 . 0 0 "[ ]" 1
961 1 37 LEU MD1 1 90 ALA MB 5.500 . 6.500 3.694 3.694 3.694 . 0 0 "[ ]" 1
962 1 75 GLU H 1 91 TYR H 3.200 . 3.500 1.867 1.867 1.867 . 0 0 "[ ]" 1
963 1 75 GLU HB3 1 91 TYR H 4.000 . 5.300 2.541 2.541 2.541 . 0 0 "[ ]" 1
964 1 91 TYR H 1 91 TYR HB3 3.600 . 5.300 3.727 3.727 3.727 . 0 0 "[ ]" 1
965 1 37 LEU MD1 1 91 TYR H 4.900 . 5.300 4.258 4.258 4.258 . 0 0 "[ ]" 1
966 1 90 ALA MB 1 91 TYR H 4.000 . 5.300 2.160 2.160 2.160 . 0 0 "[ ]" 1
967 1 75 GLU HB2 1 91 TYR H 4.600 . 5.300 3.987 3.987 3.987 . 0 0 "[ ]" 1
968 1 90 ALA HA 1 91 TYR H 3.400 . 3.500 2.583 2.583 2.583 . 0 0 "[ ]" 1
969 1 38 LEU MD1 1 91 TYR HE1 4.300 . 5.300 2.025 2.025 2.025 . 0 0 "[ ]" 1
970 1 37 LEU MD1 1 91 TYR HE1 5.800 . 6.500 3.965 3.965 3.965 . 0 0 "[ ]" 1
971 1 91 TYR HE1 1 121 HIS HB2 3.100 . 3.500 2.559 2.559 2.559 . 0 0 "[ ]" 1
972 1 38 LEU HB3 1 91 TYR HE1 4.000 . 5.300 4.748 4.748 4.748 . 0 0 "[ ]" 1
973 1 91 TYR HE2 1 120 THR MG 5.700 . 6.500 5.020 5.020 5.020 . 0 0 "[ ]" 1
974 1 37 LEU HB3 1 91 TYR HE1 2.900 . 3.500 3.363 3.363 3.363 . 0 0 "[ ]" 1
975 1 37 LEU HB2 1 91 TYR HE1 3.500 . 5.300 3.052 3.052 3.052 . 0 0 "[ ]" 1
976 1 38 LEU HG 1 91 TYR HE1 3.500 . 5.300 2.492 2.492 2.492 . 0 0 "[ ]" 1
977 1 7 LEU MD1 1 91 TYR HE2 5.500 . 6.500 2.746 2.746 2.746 . 0 0 "[ ]" 1
978 1 77 ASP HB3 1 91 TYR HE2 3.800 . 5.300 4.561 4.561 4.561 . 0 0 "[ ]" 1
979 1 77 ASP HB2 1 91 TYR HE2 3.000 . 3.500 3.369 3.369 3.369 . 0 0 "[ ]" 1
980 1 91 TYR QE 1 121 HIS HD2 3.600 . 5.300 2.839 2.839 2.839 . 0 0 "[ ]" 1
981 1 77 ASP HA 1 91 TYR HE2 2.900 . 3.500 3.092 3.092 3.092 . 0 0 "[ ]" 1
982 1 92 ILE H 1 92 ILE MD 5.300 . 6.500 3.649 3.649 3.649 . 0 0 "[ ]" 1
983 1 92 ILE H 1 92 ILE HG13 3.300 . 3.500 2.072 2.072 2.072 . 0 0 "[ ]" 1
984 1 92 ILE H 1 92 ILE HG12 3.800 . 5.300 3.210 3.210 3.210 . 0 0 "[ ]" 1
985 1 92 ILE H 1 92 ILE HB 2.600 . 2.700 2.606 2.606 2.606 . 0 0 "[ ]" 1
986 1 92 ILE H 1 100 ASN HD22 4.200 . 5.300 3.271 3.271 3.271 . 0 0 "[ ]" 1
987 1 92 ILE H 1 100 ASN HB2 4.600 . 5.300 5.206 5.206 5.206 . 0 0 "[ ]" 1
988 1 36 LEU MD2 1 92 ILE H 4.800 . 5.300 2.953 2.953 2.953 . 0 0 "[ ]" 1
989 1 92 ILE HA 1 92 ILE HB 2.600 . 3.500 3.029 3.029 3.029 . 0 0 "[ ]" 1
990 1 74 VAL HA 1 92 ILE HA 2.700 . 3.500 2.437 2.437 2.437 . 0 0 "[ ]" 1
991 1 92 ILE HA 1 92 ILE HG13 2.700 . 3.500 3.223 3.223 3.223 . 0 0 "[ ]" 1
992 1 92 ILE HA 1 92 ILE HG12 2.500 . 2.700 2.551 2.551 2.551 . 0 0 "[ ]" 1
993 1 93 TYR H 1 93 TYR HD1 2.800 . 3.500 2.637 2.637 2.637 . 0 0 "[ ]" 1
994 1 73 GLU H 1 93 TYR H 3.000 . 3.500 2.599 2.599 2.599 . 0 0 "[ ]" 1
995 1 92 ILE HA 1 93 TYR H 2.800 . 3.500 2.206 2.206 2.206 . 0 0 "[ ]" 1
996 1 93 TYR H 1 93 TYR HB2 3.200 . 3.500 2.571 2.571 2.571 . 0 0 "[ ]" 1
997 1 93 TYR H 1 99 VAL MG2 5.900 . 6.500 3.949 3.949 3.949 . 0 0 "[ ]" 1
998 1 92 ILE HG12 1 93 TYR H 4.300 . 5.300 4.559 4.559 4.559 . 0 0 "[ ]" 1
999 1 92 ILE MG 1 93 TYR H 3.600 . 5.300 2.613 2.613 2.613 . 0 0 "[ ]" 1
1000 1 92 ILE MD 1 93 TYR H 5.800 . 6.500 5.039 5.039 5.039 . 0 0 "[ ]" 1
1001 1 74 VAL MG1 1 93 TYR H 5.700 . 6.500 3.947 3.947 3.947 . 0 0 "[ ]" 1
1002 1 92 ILE HB 1 93 TYR H 3.500 . 5.300 4.073 4.073 4.073 . 0 0 "[ ]" 1
1003 1 93 TYR H 1 98 MET HA 4.900 . 5.300 5.228 5.228 5.228 . 0 0 "[ ]" 1
1004 1 93 TYR H 1 93 TYR HB3 3.800 . 5.300 3.758 3.758 3.758 . 0 0 "[ ]" 1
1005 1 93 TYR HA 1 98 MET HA 2.500 . 2.700 2.662 2.662 2.662 . 0 0 "[ ]" 1
1006 1 93 TYR HA 1 93 TYR HB3 2.700 . 2.700 2.504 2.504 2.504 . 0 0 "[ ]" 1
1007 1 93 TYR HA 1 93 TYR HB2 3.000 . 3.500 3.034 3.034 3.034 . 0 0 "[ ]" 1
1008 1 92 ILE MG 1 93 TYR HD1 5.500 . 6.500 4.644 4.644 4.644 . 0 0 "[ ]" 1
1009 1 92 ILE HG13 1 93 TYR HD1 5.500 . 6.500 6.272 6.272 6.272 . 0 0 "[ ]" 1
1010 1 93 TYR HD2 1 98 MET HB3 5.000 . 5.300 4.675 4.675 4.675 . 0 0 "[ ]" 1
1011 1 93 TYR HD2 1 98 MET HB2 3.600 . 5.300 3.370 3.370 3.370 . 0 0 "[ ]" 1
1012 1 93 TYR HD2 1 98 MET ME 5.800 . 6.500 5.007 5.007 5.007 . 0 0 "[ ]" 1
1013 1 93 TYR HD2 1 97 LYS HB3 5.000 . 5.300 5.211 5.211 5.211 . 0 0 "[ ]" 1
1014 1 93 TYR HD2 1 96 GLY HA2 4.000 . 5.300 4.600 4.600 4.600 . 0 0 "[ ]" 1
1015 1 93 TYR HD2 1 98 MET HA 2.900 . 3.500 2.518 2.518 2.518 . 0 0 "[ ]" 1
1016 1 93 TYR HD2 1 97 LYS HA 3.500 . 5.300 3.654 3.654 3.654 . 0 0 "[ ]" 1
1017 1 9 LYS QE 1 93 TYR HD2 3.500 . 5.300 4.361 4.361 4.361 . 0 0 "[ ]" 1
1018 1 92 ILE HA 1 93 TYR HD1 3.000 . 3.500 3.396 3.396 3.396 . 0 0 "[ ]" 1
1019 1 9 LYS HG3 1 93 TYR HD1 5.400 . 6.500 6.122 6.122 6.122 . 0 0 "[ ]" 1
1020 1 93 TYR HB3 1 93 TYR QD 3.000 . 3.500 2.387 2.387 2.387 . 0 0 "[ ]" 1
1021 1 93 TYR HB2 1 93 TYR QD 3.100 . 3.500 2.441 2.441 2.441 . 0 0 "[ ]" 1
1022 1 93 TYR HA 1 93 TYR HD2 2.900 . 3.500 3.045 3.045 3.045 . 0 0 "[ ]" 1
1023 1 74 VAL HA 1 93 TYR HD1 5.000 . 5.300 3.210 3.210 3.210 . 0 0 "[ ]" 1
1024 1 73 GLU QB 1 93 TYR HD1 5.500 . 6.500 3.115 3.115 3.115 . 0 0 "[ ]" 1
1025 1 91 TYR HB3 1 93 TYR HE1 2.900 . 3.500 3.252 3.252 3.252 . 0 0 "[ ]" 1
1026 1 93 TYR HE2 1 98 MET ME 4.500 . 5.300 3.317 3.317 3.317 . 0 0 "[ ]" 1
1027 1 93 TYR HE2 1 98 MET HB2 2.700 . 3.500 2.548 2.548 2.548 . 0 0 "[ ]" 1
1028 1 75 GLU HB3 1 93 TYR HE1 2.500 . 2.700 1.930 1.930 1.930 . 0 0 "[ ]" 1
1029 1 91 TYR HA 1 93 TYR HE1 4.600 . 5.300 4.564 4.564 4.564 . 0 0 "[ ]" 1
1030 1 75 GLU HA 1 93 TYR HE1 4.400 . 5.300 4.104 4.104 4.104 . 0 0 "[ ]" 1
1031 1 93 TYR HD2 1 94 ALA H 3.800 . 5.300 4.476 4.476 4.476 . 0 0 "[ ]" 1
1032 1 94 ALA H 1 99 VAL MG2 4.500 . 5.300 2.050 2.050 2.050 . 0 0 "[ ]" 1
1033 1 94 ALA H 1 94 ALA MB 3.000 . 3.500 2.402 2.402 2.402 . 0 0 "[ ]" 1
1034 1 92 ILE MG 1 94 ALA H 5.800 . 6.500 4.183 4.183 4.183 . 0 0 "[ ]" 1
1035 1 93 TYR HA 1 94 ALA H 2.700 . 3.500 2.196 2.196 2.196 . 0 0 "[ ]" 1
1036 1 93 TYR HB3 1 94 ALA H 3.500 . 3.500 3.500 3.500 3.500 . 1 0 "[ ]" 1
1037 1 93 TYR HB2 1 94 ALA H 4.100 . 5.300 4.329 4.329 4.329 . 0 0 "[ ]" 1
1038 1 94 ALA H 1 99 VAL H 4.900 . 5.300 2.980 2.980 2.980 . 0 0 "[ ]" 1
1039 1 72 ILE MD 1 94 ALA HA 5.800 . 6.500 5.114 5.114 5.114 . 0 0 "[ ]" 1
1040 1 72 ILE HG12 1 94 ALA HA 3.500 . 5.300 4.970 4.970 4.970 . 0 0 "[ ]" 1
1041 1 69 ALA MB 1 94 ALA HA 4.000 . 5.300 2.821 2.821 2.821 . 0 0 "[ ]" 1
1042 1 94 ALA H 1 95 ASP H 4.000 . 5.300 4.402 4.402 4.402 . 0 0 "[ ]" 1
1043 1 95 ASP H 1 96 GLY H 2.500 . 2.700 2.600 2.600 2.600 . 0 0 "[ ]" 1
1044 1 71 LYS H 1 95 ASP H 3.100 . 3.500 3.032 3.032 3.032 . 0 0 "[ ]" 1
1045 1 95 ASP H 1 97 LYS H 4.100 . 5.300 4.050 4.050 4.050 . 0 0 "[ ]" 1
1046 1 94 ALA HA 1 95 ASP H 2.700 . 3.500 2.191 2.191 2.191 . 0 0 "[ ]" 1
1047 1 95 ASP H 1 95 ASP HB2 4.100 . 5.300 3.688 3.688 3.688 . 0 0 "[ ]" 1
1048 1 95 ASP H 1 95 ASP HB3 4.100 . 5.300 4.089 4.089 4.089 . 0 0 "[ ]" 1
1049 1 94 ALA MB 1 95 ASP H 4.300 . 5.300 3.237 3.237 3.237 . 0 0 "[ ]" 1
1050 1 69 ALA MB 1 95 ASP H 4.600 . 5.300 2.911 2.911 2.911 . 0 0 "[ ]" 1
1051 1 71 LYS HB2 1 95 ASP H 3.500 . 5.300 3.660 3.660 3.660 . 0 0 "[ ]" 1
1052 1 72 ILE HA 1 95 ASP H 4.200 . 5.300 4.387 4.387 4.387 . 0 0 "[ ]" 1
1053 1 71 LYS HG2 1 95 ASP H 5.300 . 6.500 5.658 5.658 5.658 . 0 0 "[ ]" 1
1054 1 95 ASP HA 1 95 ASP HB3 2.600 . 2.700 2.413 2.413 2.413 . 0 0 "[ ]" 1
1055 1 96 GLY H 1 97 LYS H 2.800 . 3.500 2.476 2.476 2.476 . 0 0 "[ ]" 1
1056 1 96 GLY H 1 96 GLY HA2 2.900 . 3.500 2.360 2.360 2.360 . 0 0 "[ ]" 1
1057 1 95 ASP HB3 1 96 GLY H 4.500 . 5.300 4.523 4.523 4.523 . 0 0 "[ ]" 1
1058 1 95 ASP HA 1 96 GLY H 3.500 . 5.300 3.000 3.000 3.000 . 0 0 "[ ]" 1
1059 1 94 ALA HA 1 96 GLY H 4.200 . 5.300 3.632 3.632 3.632 . 0 0 "[ ]" 1
1060 1 71 LYS HB2 1 96 GLY H 3.900 . 5.300 4.449 4.449 4.449 . 0 0 "[ ]" 1
1061 1 71 LYS HB3 1 96 GLY H 5.300 . 6.500 6.185 6.185 6.185 . 0 0 "[ ]" 1
1062 1 94 ALA MB 1 96 GLY H 6.000 . 6.500 4.532 4.532 4.532 . 0 0 "[ ]" 1
1063 1 93 TYR HD2 1 96 GLY H 5.400 . 6.500 5.527 5.527 5.527 . 0 0 "[ ]" 1
1064 1 97 LYS H 1 97 LYS HB2 2.700 . 3.500 2.542 2.542 2.542 . 0 0 "[ ]" 1
1065 1 97 LYS H 1 97 LYS QG 3.900 . 5.300 3.906 3.906 3.906 . 0 0 "[ ]" 1
1066 1 96 GLY HA2 1 97 LYS H 3.100 . 3.500 3.079 3.079 3.079 . 0 0 "[ ]" 1
1067 1 96 GLY HA3 1 97 LYS H 3.800 . 5.300 3.461 3.461 3.461 . 0 0 "[ ]" 1
1068 1 94 ALA H 1 97 LYS H 3.200 . 3.500 3.052 3.052 3.052 . 0 0 "[ ]" 1
1069 1 93 TYR HD2 1 97 LYS H 5.000 . 5.300 4.119 4.119 4.119 . 0 0 "[ ]" 1
1070 1 97 LYS H 1 97 LYS HB3 3.100 . 3.500 3.308 3.308 3.308 . 0 0 "[ ]" 1
1071 1 94 ALA MB 1 97 LYS H 4.500 . 5.300 4.086 4.086 4.086 . 0 0 "[ ]" 1
1072 1 97 LYS H 1 97 LYS QE 5.700 . 6.500 5.497 5.497 5.497 . 0 0 "[ ]" 1
1073 1 97 LYS HA 1 97 LYS HB3 3.000 . 3.500 2.873 2.873 2.873 . 0 0 "[ ]" 1
1074 1 97 LYS HA 1 97 LYS HB2 3.000 . 3.500 2.845 2.845 2.845 . 0 0 "[ ]" 1
1075 1 97 LYS HA 1 98 MET H 3.300 . 3.500 2.354 2.354 2.354 . 0 0 "[ ]" 1
1076 1 98 MET H 1 98 MET HB3 4.000 . 5.300 2.567 2.567 2.567 . 0 0 "[ ]" 1
1077 1 98 MET H 1 98 MET HB2 2.600 . 2.700 2.614 2.614 2.614 . 0 0 "[ ]" 1
1078 1 98 MET H 1 98 MET QG 4.000 . 5.300 4.021 4.021 4.021 . 0 0 "[ ]" 1
1079 1 98 MET H 1 98 MET ME 5.500 . 6.500 4.583 4.583 4.583 . 0 0 "[ ]" 1
1080 1 97 LYS QG 1 98 MET H 4.300 . 5.300 2.692 2.692 2.692 . 0 0 "[ ]" 1
1081 1 97 LYS HB3 1 98 MET H 3.800 . 5.300 3.085 3.085 3.085 . 0 0 "[ ]" 1
1082 1 97 LYS HB2 1 98 MET H 4.900 . 5.300 4.203 4.203 4.203 . 0 0 "[ ]" 1
1083 1 98 MET H 1 98 MET HA 3.000 . 3.500 2.924 2.924 2.924 . 0 0 "[ ]" 1
1084 1 98 MET H 1 101 GLU H 4.700 . 5.300 4.903 4.903 4.903 . 0 0 "[ ]" 1
1085 1 98 MET H 1 101 GLU HB2 5.500 . 6.500 4.438 4.438 4.438 . 0 0 "[ ]" 1
1086 1 98 MET H 1 102 ALA H 5.000 . 5.300 5.308 5.308 5.308 0.008 1 0 "[ ]" 1
1087 1 98 MET H 1 99 VAL H 4.800 . 5.300 4.326 4.326 4.326 . 0 0 "[ ]" 1
1088 1 93 TYR HE2 1 98 MET H 3.800 . 5.300 4.310 4.310 4.310 . 0 0 "[ ]" 1
1089 1 93 TYR HD2 1 98 MET H 3.300 . 3.500 3.495 3.495 3.495 . 0 0 "[ ]" 1
1090 1 93 TYR HA 1 98 MET H 4.500 . 5.300 4.752 4.752 4.752 . 0 0 "[ ]" 1
1091 1 98 MET HA 1 98 MET HB2 2.500 . 2.700 2.506 2.506 2.506 . 0 0 "[ ]" 1
1092 1 98 MET HA 1 99 VAL H 3.100 . 3.500 2.227 2.227 2.227 . 0 0 "[ ]" 1
1093 1 93 TYR HA 1 99 VAL H 3.700 . 5.300 2.323 2.323 2.323 . 0 0 "[ ]" 1
1094 1 99 VAL H 1 102 ALA H 4.700 . 5.300 4.796 4.796 4.796 . 0 0 "[ ]" 1
1095 1 99 VAL H 1 100 ASN H 3.300 . 3.500 2.861 2.861 2.861 . 0 0 "[ ]" 1
1096 1 99 VAL H 1 99 VAL HB 3.100 . 3.500 2.490 2.490 2.490 . 0 0 "[ ]" 1
1097 1 99 VAL H 1 99 VAL MG1 4.500 . 5.300 3.770 3.770 3.770 . 0 0 "[ ]" 1
1098 1 99 VAL H 1 99 VAL MG2 3.600 . 5.300 2.246 2.246 2.246 . 0 0 "[ ]" 1
1099 1 92 ILE MG 1 99 VAL H 5.300 . 6.500 4.292 4.292 4.292 . 0 0 "[ ]" 1
1100 1 97 LYS HG2 1 99 VAL H 6.000 . 6.500 6.431 6.431 6.431 . 0 0 "[ ]" 1
1101 1 94 ALA MB 1 99 VAL H 6.000 . 6.500 4.123 4.123 4.123 . 0 0 "[ ]" 1
1102 1 99 VAL HA 1 102 ALA H 4.500 . 5.300 3.106 3.106 3.106 . 0 0 "[ ]" 1
1103 1 99 VAL HA 1 99 VAL HB 3.000 . 3.500 3.032 3.032 3.032 . 0 0 "[ ]" 1
1104 1 99 VAL HA 1 102 ALA MB 4.400 . 5.300 2.260 2.260 2.260 . 0 0 "[ ]" 1
1105 1 98 MET HG3 1 100 ASN H 3.000 . 3.500 2.526 2.526 2.526 . 0 0 "[ ]" 1
1106 1 99 VAL HA 1 100 ASN H 3.500 . 5.300 3.575 3.575 3.575 . 0 0 "[ ]" 1
1107 1 98 MET HA 1 100 ASN H 3.800 . 5.300 3.893 3.893 3.893 . 0 0 "[ ]" 1
1108 1 100 ASN H 1 102 ALA H 4.300 . 5.300 4.201 4.201 4.201 . 0 0 "[ ]" 1
1109 1 92 ILE H 1 100 ASN H 3.900 . 5.300 4.133 4.133 4.133 . 0 0 "[ ]" 1
1110 1 36 LEU MD2 1 100 ASN H 4.900 . 5.300 3.438 3.438 3.438 . 0 0 "[ ]" 1
1111 1 92 ILE HB 1 100 ASN H 4.100 . 5.300 4.086 4.086 4.086 . 0 0 "[ ]" 1
1112 1 36 LEU HB3 1 100 ASN H 4.800 . 5.300 5.311 5.311 5.311 0.011 1 0 "[ ]" 1
1113 1 99 VAL HB 1 100 ASN H 2.600 . 2.700 2.485 2.485 2.485 . 0 0 "[ ]" 1
1114 1 99 VAL MG2 1 100 ASN H 4.600 . 5.300 3.883 3.883 3.883 . 0 0 "[ ]" 1
1115 1 99 VAL MG1 1 100 ASN H 4.200 . 5.300 3.179 3.179 3.179 . 0 0 "[ ]" 1
1116 1 100 ASN H 1 100 ASN HB3 3.500 . 5.300 3.624 3.624 3.624 . 0 0 "[ ]" 1
1117 1 100 ASN H 1 100 ASN HB2 3.200 . 3.500 2.631 2.631 2.631 . 0 0 "[ ]" 1
1118 1 100 ASN H 1 100 ASN HA 2.900 . 3.500 2.795 2.795 2.795 . 0 0 "[ ]" 1
1119 1 100 ASN HA 1 100 ASN HB3 2.500 . 2.700 2.465 2.465 2.465 . 0 0 "[ ]" 1
1120 1 100 ASN HA 1 103 LEU H 4.900 . 6.500 3.558 3.558 3.558 . 0 0 "[ ]" 1
1121 1 36 LEU HB3 1 100 ASN HD21 3.600 . 5.300 3.287 3.287 3.287 . 0 0 "[ ]" 1
1122 1 36 LEU QD 1 100 ASN HD21 5.000 . 5.300 3.336 3.336 3.336 . 0 0 "[ ]" 1
1123 1 37 LEU HB3 1 100 ASN HD21 4.100 . 5.300 5.000 5.000 5.000 . 0 0 "[ ]" 1
1124 1 37 LEU H 1 100 ASN HD21 4.700 . 5.300 2.941 2.941 2.941 . 0 0 "[ ]" 1
1125 1 92 ILE H 1 100 ASN HD21 5.600 . 6.500 4.641 4.641 4.641 . 0 0 "[ ]" 1
1126 1 36 LEU QD 1 100 ASN HD22 4.900 . 5.300 2.172 2.172 2.172 . 0 0 "[ ]" 1
1127 1 36 LEU HB3 1 100 ASN HD22 3.800 . 5.300 2.955 2.955 2.955 . 0 0 "[ ]" 1
1128 1 36 LEU HB2 1 100 ASN HD22 5.700 . 6.500 4.513 4.513 4.513 . 0 0 "[ ]" 1
1129 1 37 LEU HB3 1 100 ASN HD22 4.200 . 5.300 5.321 5.321 5.321 0.021 1 0 "[ ]" 1
1130 1 92 ILE HB 1 100 ASN HD22 4.600 . 5.300 5.109 5.109 5.109 . 0 0 "[ ]" 1
1131 1 101 GLU H 1 102 ALA MB 5.600 . 6.500 4.167 4.167 4.167 . 0 0 "[ ]" 1
1132 1 101 GLU H 1 101 GLU HB3 2.700 . 3.500 2.747 2.747 2.747 . 0 0 "[ ]" 1
1133 1 98 MET HB2 1 101 GLU H 3.700 . 5.300 4.234 4.234 4.234 . 0 0 "[ ]" 1
1134 1 98 MET ME 1 101 GLU H 4.700 . 5.300 4.042 4.042 4.042 . 0 0 "[ ]" 1
1135 1 101 GLU H 1 125 LEU MD2 5.300 . 6.500 3.542 3.542 3.542 . 0 0 "[ ]" 1
1136 1 101 GLU H 1 101 GLU QG 3.900 . 5.300 3.944 3.944 3.944 . 0 0 "[ ]" 1
1137 1 101 GLU H 1 101 GLU HB2 2.900 . 3.500 2.391 2.391 2.391 . 0 0 "[ ]" 1
1138 1 100 ASN HB2 1 101 GLU H 3.100 . 3.500 2.622 2.622 2.622 . 0 0 "[ ]" 1
1139 1 100 ASN HB3 1 101 GLU H 3.700 . 5.300 3.728 3.728 3.728 . 0 0 "[ ]" 1
1140 1 100 ASN HA 1 101 GLU H 3.500 . 5.300 3.553 3.553 3.553 . 0 0 "[ ]" 1
1141 1 101 GLU H 1 101 GLU HA 3.000 . 3.500 2.878 2.878 2.878 . 0 0 "[ ]" 1
1142 1 101 GLU H 1 102 ALA H 2.600 . 2.700 2.594 2.594 2.594 . 0 0 "[ ]" 1
1143 1 100 ASN H 1 101 GLU H 3.100 . 3.500 2.850 2.850 2.850 . 0 0 "[ ]" 1
1144 1 99 VAL H 1 101 GLU H 5.600 . 6.500 4.221 4.221 4.221 . 0 0 "[ ]" 1
1145 1 101 GLU HA 1 125 LEU MD2 4.100 . 5.300 2.865 2.865 2.865 . 0 0 "[ ]" 1
1146 1 101 GLU HA 1 101 GLU HB3 3.000 . 3.500 3.019 3.019 3.019 . 0 0 "[ ]" 1
1147 1 101 GLU HA 1 101 GLU QG 3.500 . 5.300 2.307 2.307 2.307 . 0 0 "[ ]" 1
1148 1 101 GLU HB3 1 102 ALA H 2.900 . 3.500 2.656 2.656 2.656 . 0 0 "[ ]" 1
1149 1 99 VAL MG1 1 102 ALA H 5.900 . 6.500 4.165 4.165 4.165 . 0 0 "[ ]" 1
1150 1 102 ALA H 1 125 LEU MD2 6.000 . 6.500 5.262 5.262 5.262 . 0 0 "[ ]" 1
1151 1 101 GLU HB2 1 102 ALA H 3.500 . 5.300 3.750 3.750 3.750 . 0 0 "[ ]" 1
1152 1 101 GLU HA 1 102 ALA H 2.900 . 3.500 3.534 3.534 3.534 0.034 1 0 "[ ]" 1
1153 1 102 ALA H 1 102 ALA HA 2.900 . 3.500 2.836 2.836 2.836 . 0 0 "[ ]" 1
1154 1 102 ALA H 1 103 LEU HA 5.400 . 6.500 5.403 5.403 5.403 . 0 0 "[ ]" 1
1155 1 61 PHE HE1 1 102 ALA H 4.700 . 5.300 5.248 5.248 5.248 . 0 0 "[ ]" 1
1156 1 102 ALA H 1 103 LEU H 2.900 . 3.500 2.767 2.767 2.767 . 0 0 "[ ]" 1
1157 1 102 ALA HA 1 105 ARG QB 3.600 . 5.300 2.190 2.190 2.190 . 0 0 "[ ]" 1
1158 1 101 GLU H 1 103 LEU H 4.300 . 5.300 4.263 4.263 4.263 . 0 0 "[ ]" 1
1159 1 103 LEU H 1 103 LEU HA 2.800 . 3.500 2.845 2.845 2.845 . 0 0 "[ ]" 1
1160 1 99 VAL HA 1 103 LEU H 3.800 . 5.300 4.379 4.379 4.379 . 0 0 "[ ]" 1
1161 1 103 LEU H 1 103 LEU MD1 4.100 . 5.300 3.039 3.039 3.039 . 0 0 "[ ]" 1
1162 1 103 LEU H 1 103 LEU MD2 4.400 . 5.300 4.054 4.054 4.054 . 0 0 "[ ]" 1
1163 1 103 LEU H 1 103 LEU HB3 3.500 . 5.300 3.582 3.582 3.582 . 0 0 "[ ]" 1
1164 1 103 LEU H 1 103 LEU HB2 2.800 . 3.500 2.309 2.309 2.309 . 0 0 "[ ]" 1
1165 1 103 LEU H 1 103 LEU HG 2.500 . 2.700 2.697 2.697 2.697 . 0 0 "[ ]" 1
1166 1 102 ALA HA 1 103 LEU H 3.200 . 3.500 3.554 3.554 3.554 0.054 1 0 "[ ]" 1
1167 1 61 PHE HE1 1 103 LEU H 3.600 . 5.300 3.682 3.682 3.682 . 0 0 "[ ]" 1
1168 1 103 LEU H 1 104 VAL H 2.800 . 3.500 2.826 2.826 2.826 . 0 0 "[ ]" 1
1169 1 103 LEU H 1 104 VAL HB 4.900 . 5.300 5.068 5.068 5.068 . 0 0 "[ ]" 1
1170 1 101 GLU HB2 1 103 LEU H 5.600 . 6.500 5.838 5.838 5.838 . 0 0 "[ ]" 1
1171 1 102 ALA MB 1 103 LEU H 4.000 . 5.300 2.592 2.592 2.592 . 0 0 "[ ]" 1
1172 1 103 LEU HA 1 103 LEU HG 2.700 . 3.500 2.364 2.364 2.364 . 0 0 "[ ]" 1
1173 1 103 LEU HA 1 103 LEU HB2 2.700 . 3.500 3.013 3.013 3.013 . 0 0 "[ ]" 1
1174 1 103 LEU HA 1 103 LEU MD2 4.400 . 5.300 2.578 2.578 2.578 . 0 0 "[ ]" 1
1175 1 103 LEU HA 1 103 LEU HB3 2.400 . 2.700 2.613 2.613 2.613 . 0 0 "[ ]" 1
1176 1 103 LEU HA 1 108 LEU MD1 4.000 . 5.300 3.705 3.705 3.705 . 0 0 "[ ]" 1
1177 1 103 LEU HA 1 108 LEU HB2 3.600 . 5.300 3.031 3.031 3.031 . 0 0 "[ ]" 1
1178 1 103 LEU HA 1 106 GLN HB3 5.000 . 5.300 3.625 3.625 3.625 . 0 0 "[ ]" 1
1179 1 104 VAL H 1 104 VAL QG 3.500 . 5.300 1.851 1.851 1.851 . 0 0 "[ ]" 1
1180 1 103 LEU HG 1 104 VAL H 4.200 . 5.300 4.583 4.583 4.583 . 0 0 "[ ]" 1
1181 1 103 LEU HB2 1 104 VAL H 2.800 . 3.500 2.510 2.510 2.510 . 0 0 "[ ]" 1
1182 1 101 GLU HA 1 104 VAL H 3.400 . 3.500 3.436 3.436 3.436 . 0 0 "[ ]" 1
1183 1 104 VAL H 1 104 VAL HB 2.600 . 3.500 2.636 2.636 2.636 . 0 0 "[ ]" 1
1184 1 104 VAL H 1 125 LEU MD2 6.000 . 6.500 4.641 4.641 4.641 . 0 0 "[ ]" 1
1185 1 103 LEU HA 1 104 VAL H 3.500 . 5.300 3.582 3.582 3.582 . 0 0 "[ ]" 1
1186 1 100 ASN HA 1 104 VAL H 4.500 . 5.300 4.463 4.463 4.463 . 0 0 "[ ]" 1
1187 1 103 LEU MD2 1 104 VAL H 5.500 . 6.500 4.619 4.619 4.619 . 0 0 "[ ]" 1
1188 1 101 GLU HB3 1 104 VAL H 5.600 . 6.500 5.628 5.628 5.628 . 0 0 "[ ]" 1
1189 1 102 ALA H 1 104 VAL H 3.800 . 5.300 4.391 4.391 4.391 . 0 0 "[ ]" 1
1190 1 104 VAL H 1 106 GLN H 4.200 . 5.300 4.351 4.351 4.351 . 0 0 "[ ]" 1
1191 1 104 VAL H 1 105 ARG H 2.700 . 3.500 2.632 2.632 2.632 . 0 0 "[ ]" 1
1192 1 105 ARG H 1 106 GLN H 2.800 . 3.500 2.529 2.529 2.529 . 0 0 "[ ]" 1
1193 1 103 LEU H 1 105 ARG H 3.700 . 5.300 3.810 3.810 3.810 . 0 0 "[ ]" 1
1194 1 105 ARG H 1 105 ARG QB 2.600 . 2.700 2.114 2.114 2.114 . 0 0 "[ ]" 1
1195 1 104 VAL HB 1 105 ARG H 2.600 . 3.500 3.004 3.004 3.004 . 0 0 "[ ]" 1
1196 1 104 VAL QG 1 105 ARG H 4.100 . 5.300 3.448 3.448 3.448 . 0 0 "[ ]" 1
1197 1 101 GLU HB3 1 105 ARG H 5.300 . 6.500 5.546 5.546 5.546 . 0 0 "[ ]" 1
1198 1 102 ALA HA 1 105 ARG H 3.600 . 5.300 3.373 3.373 3.373 . 0 0 "[ ]" 1
1199 1 101 GLU HA 1 105 ARG H 3.800 . 5.300 4.287 4.287 4.287 . 0 0 "[ ]" 1
1200 1 103 LEU HB2 1 105 ARG H 6.000 . 6.500 4.662 4.662 4.662 . 0 0 "[ ]" 1
1201 1 105 ARG H 1 106 GLN HA 5.800 . 6.500 5.227 5.227 5.227 . 0 0 "[ ]" 1
1202 1 105 ARG H 1 106 GLN HB2 5.000 . 5.300 4.775 4.775 4.775 . 0 0 "[ ]" 1
1203 1 104 VAL HA 1 105 ARG H 4.300 . 5.300 3.468 3.468 3.468 . 0 0 "[ ]" 1
1204 1 101 GLU QG 1 105 ARG H 5.600 . 6.500 4.203 4.203 4.203 . 0 0 "[ ]" 1
1205 1 105 ARG H 1 128 SER QB 5.500 . 6.500 4.887 4.887 4.887 . 0 0 "[ ]" 1
1206 1 106 GLN H 1 106 GLN HB3 3.500 . 5.300 2.843 2.843 2.843 . 0 0 "[ ]" 1
1207 1 105 ARG HB3 1 106 GLN H 2.900 . 3.500 3.226 3.226 3.226 . 0 0 "[ ]" 1
1208 1 106 GLN H 1 106 GLN HB2 2.900 . 3.500 2.442 2.442 2.442 . 0 0 "[ ]" 1
1209 1 106 GLN H 1 106 GLN QG 3.700 . 5.300 4.145 4.145 4.145 . 0 0 "[ ]" 1
1210 1 103 LEU HB3 1 106 GLN H 4.800 . 5.300 5.200 5.200 5.200 . 0 0 "[ ]" 1
1211 1 103 LEU HA 1 106 GLN H 4.700 . 5.300 3.369 3.369 3.369 . 0 0 "[ ]" 1
1212 1 105 ARG HA 1 106 GLN H 4.900 . 5.300 3.552 3.552 3.552 . 0 0 "[ ]" 1
1213 1 107 GLY H 1 109 ALA H 3.500 . 5.300 4.502 4.502 4.502 . 0 0 "[ ]" 1
1214 1 106 GLN H 1 107 GLY H 2.700 . 3.500 2.571 2.571 2.571 . 0 0 "[ ]" 1
1215 1 107 GLY H 1 108 LEU H 3.100 . 3.500 2.912 2.912 2.912 . 0 0 "[ ]" 1
1216 1 104 VAL HA 1 107 GLY H 5.500 . 6.500 3.462 3.462 3.462 . 0 0 "[ ]" 1
1217 1 104 VAL HB 1 107 GLY H 5.400 . 6.500 5.359 5.359 5.359 . 0 0 "[ ]" 1
1218 1 106 GLN HB2 1 107 GLY H 3.600 . 5.300 4.279 4.279 4.279 . 0 0 "[ ]" 1
1219 1 106 GLN QG 1 107 GLY H 5.800 . 6.500 4.631 4.631 4.631 . 0 0 "[ ]" 1
1220 1 106 GLN HB3 1 107 GLY H 3.700 . 5.300 3.780 3.780 3.780 . 0 0 "[ ]" 1
1221 1 107 GLY H 1 132 ALA MB 4.200 . 5.300 2.934 2.934 2.934 . 0 0 "[ ]" 1
1222 1 107 GLY H 1 137 LEU MD1 4.900 . 5.300 4.193 4.193 4.193 . 0 0 "[ ]" 1
1223 1 104 VAL MG1 1 107 GLY H 5.100 . 5.300 4.278 4.278 4.278 . 0 0 "[ ]" 1
1224 1 107 GLY H 1 108 LEU HB2 4.800 . 5.300 4.765 4.765 4.765 . 0 0 "[ ]" 1
1225 1 107 GLY H 1 108 LEU HG 4.800 . 5.300 4.765 4.765 4.765 . 0 0 "[ ]" 1
1226 1 105 ARG H 1 107 GLY H 6.000 . 6.500 3.763 3.763 3.763 . 0 0 "[ ]" 1
1227 1 107 GLY H 1 138 ASN HB2 6.000 . 6.500 6.295 6.295 6.295 . 0 0 "[ ]" 1
1228 1 108 LEU H 1 109 ALA H 2.500 . 2.700 1.983 1.983 1.983 . 0 0 "[ ]" 1
1229 1 103 LEU HB3 1 108 LEU H 3.700 . 5.300 3.887 3.887 3.887 . 0 0 "[ ]" 1
1230 1 108 LEU H 1 108 LEU HG 2.900 . 3.500 3.278 3.278 3.278 . 0 0 "[ ]" 1
1231 1 108 LEU H 1 108 LEU HB2 2.900 . 3.500 2.391 2.391 2.391 . 0 0 "[ ]" 1
1232 1 108 LEU H 1 108 LEU HB3 3.500 . 5.300 3.622 3.622 3.622 . 0 0 "[ ]" 1
1233 1 103 LEU HB2 1 108 LEU H 3.500 . 5.300 5.300 5.300 5.300 . 0 0 "[ ]" 1
1234 1 106 GLN HB3 1 108 LEU H 3.900 . 5.300 3.559 3.559 3.559 . 0 0 "[ ]" 1
1235 1 108 LEU H 1 108 LEU MD1 5.100 . 5.300 4.130 4.130 4.130 . 0 0 "[ ]" 1
1236 1 103 LEU HA 1 108 LEU H 3.900 . 5.300 3.896 3.896 3.896 . 0 0 "[ ]" 1
1237 1 104 VAL HA 1 108 LEU H 3.600 . 5.300 3.440 3.440 3.440 . 0 0 "[ ]" 1
1238 1 107 GLY HA2 1 108 LEU H 3.600 . 5.300 2.739 2.739 2.739 . 0 0 "[ ]" 1
1239 1 107 GLY HA3 1 108 LEU H 4.500 . 5.300 3.581 3.581 3.581 . 0 0 "[ ]" 1
1240 1 108 LEU H 1 139 ILE MD 5.500 . 6.500 3.684 3.684 3.684 . 0 0 "[ ]" 1
1241 1 106 GLN H 1 108 LEU H 3.800 . 5.300 3.853 3.853 3.853 . 0 0 "[ ]" 1
1242 1 108 LEU H 1 108 LEU MD2 5.000 . 5.300 4.031 4.031 4.031 . 0 0 "[ ]" 1
1243 1 103 LEU MD2 1 108 LEU H 5.300 . 6.500 3.899 3.899 3.899 . 0 0 "[ ]" 1
1244 1 108 LEU HA 1 108 LEU MD2 4.400 . 5.300 1.850 1.850 1.850 . 0 0 "[ ]" 1
1245 1 108 LEU HA 1 139 ILE MD 6.000 . 6.500 1.928 1.928 1.928 . 0 0 "[ ]" 1
1246 1 108 LEU HA 1 139 ILE MG 6.000 . 6.500 5.380 5.380 5.380 . 0 0 "[ ]" 1
1247 1 103 LEU HB3 1 108 LEU MD1 5.800 . 6.500 4.747 4.747 4.747 . 0 0 "[ ]" 1
1248 1 106 GLN HB3 1 108 LEU MD1 5.400 . 6.500 2.588 2.588 2.588 . 0 0 "[ ]" 1
1249 1 108 LEU HA 1 109 ALA H 3.600 . 5.300 3.493 3.493 3.493 . 0 0 "[ ]" 1
1250 1 104 VAL HA 1 109 ALA H 3.100 . 3.500 3.268 3.268 3.268 . 0 0 "[ ]" 1
1251 1 108 LEU HG 1 109 ALA H 3.600 . 5.300 4.733 4.733 4.733 . 0 0 "[ ]" 1
1252 1 109 ALA H 1 139 ILE MD 4.700 . 5.300 3.627 3.627 3.627 . 0 0 "[ ]" 1
1253 1 108 LEU MD1 1 109 ALA H 6.000 . 6.500 4.888 4.888 4.888 . 0 0 "[ ]" 1
1254 1 108 LEU MD2 1 109 ALA H 5.700 . 6.500 4.598 4.598 4.598 . 0 0 "[ ]" 1
1255 1 103 LEU HB2 1 109 ALA H 3.900 . 5.300 4.546 4.546 4.546 . 0 0 "[ ]" 1
1256 1 103 LEU HA 1 109 ALA H 5.000 . 5.300 4.321 4.321 4.321 . 0 0 "[ ]" 1
1257 1 103 LEU MD2 1 109 ALA H 5.900 . 6.500 3.416 3.416 3.416 . 0 0 "[ ]" 1
1258 1 110 LYS H 1 139 ILE MD 4.900 . 5.300 3.962 3.962 3.962 . 0 0 "[ ]" 1
1259 1 110 LYS H 1 110 LYS HG2 3.500 . 5.300 2.458 2.458 2.458 . 0 0 "[ ]" 1
1260 1 110 LYS H 1 110 LYS HG3 3.000 . 3.500 2.011 2.011 2.011 . 0 0 "[ ]" 1
1261 1 110 LYS H 1 110 LYS QB 3.500 . 5.300 2.862 2.862 2.862 . 0 0 "[ ]" 1
1262 1 109 ALA MB 1 110 LYS H 4.200 . 5.300 3.197 3.197 3.197 . 0 0 "[ ]" 1
1263 1 109 ALA H 1 110 LYS H 4.300 . 5.300 4.303 4.303 4.303 . 0 0 "[ ]" 1
1264 1 110 LYS H 1 111 VAL H 5.300 . 5.300 4.608 4.608 4.608 . 0 0 "[ ]" 1
1265 1 110 LYS HA 1 110 LYS QD 3.800 . 5.300 4.211 4.211 4.211 . 0 0 "[ ]" 1
1266 1 110 LYS HA 1 110 LYS HG3 3.000 . 3.500 3.520 3.520 3.520 0.020 1 0 "[ ]" 1
1267 1 110 LYS HA 1 139 ILE MD 5.900 . 6.500 5.047 5.047 5.047 . 0 0 "[ ]" 1
1268 1 109 ALA MB 1 110 LYS HA 5.400 . 6.500 4.202 4.202 4.202 . 0 0 "[ ]" 1
1269 1 110 LYS HA 1 111 VAL MG2 5.400 . 6.500 3.671 3.671 3.671 . 0 0 "[ ]" 1
1270 1 110 LYS HA 1 111 VAL H 2.700 . 3.500 2.350 2.350 2.350 . 0 0 "[ ]" 1
1271 1 110 LYS QB 1 111 VAL H 3.800 . 5.300 2.657 2.657 2.657 . 0 0 "[ ]" 1
1272 1 111 VAL H 1 111 VAL HB 2.600 . 2.700 2.633 2.633 2.633 . 0 0 "[ ]" 1
1273 1 104 VAL QG 1 111 VAL H 5.800 . 6.500 3.775 3.775 3.775 . 0 0 "[ ]" 1
1274 1 111 VAL H 1 111 VAL QG 3.900 . 5.300 2.142 2.142 2.142 . 0 0 "[ ]" 1
1275 1 39 VAL HA 1 111 VAL H 5.600 . 6.500 4.460 4.460 4.460 . 0 0 "[ ]" 1
1276 1 111 VAL HA 1 111 VAL HB 2.900 . 3.500 3.032 3.032 3.032 . 0 0 "[ ]" 1
1277 1 111 VAL H 1 112 ALA H 4.700 . 5.300 4.643 4.643 4.643 . 0 0 "[ ]" 1
1278 1 39 VAL HA 1 112 ALA H 2.700 . 3.500 2.630 2.630 2.630 . 0 0 "[ ]" 1
1279 1 111 VAL HA 1 112 ALA H 3.000 . 3.500 2.230 2.230 2.230 . 0 0 "[ ]" 1
1280 1 111 VAL HB 1 112 ALA H 4.000 . 5.300 4.027 4.027 4.027 . 0 0 "[ ]" 1
1281 1 112 ALA H 1 113 TYR HD2 4.800 . 5.300 5.278 5.278 5.278 . 0 0 "[ ]" 1
1282 1 40 ASP H 1 112 ALA H 4.200 . 5.300 4.198 4.198 4.198 . 0 0 "[ ]" 1
1283 1 112 ALA H 1 114 VAL MG2 5.500 . 6.500 3.541 3.541 3.541 . 0 0 "[ ]" 1
1284 1 39 VAL MG1 1 112 ALA H 5.400 . 6.500 4.113 4.113 4.113 . 0 0 "[ ]" 1
1285 1 39 VAL HB 1 112 ALA H 4.800 . 5.300 4.995 4.995 4.995 . 0 0 "[ ]" 1
1286 1 38 LEU HA 1 112 ALA H 4.700 . 5.300 3.339 3.339 3.339 . 0 0 "[ ]" 1
1287 1 112 ALA HA 1 113 TYR H 2.500 . 2.700 2.496 2.496 2.496 . 0 0 "[ ]" 1
1288 1 113 TYR H 1 113 TYR HA 2.400 . 2.700 2.346 2.346 2.346 . 0 0 "[ ]" 1
1289 1 113 TYR H 1 113 TYR HB3 3.800 . 5.300 4.123 4.123 4.123 . 0 0 "[ ]" 1
1290 1 113 TYR H 1 113 TYR HB2 3.800 . 5.300 3.449 3.449 3.449 . 0 0 "[ ]" 1
1291 1 113 TYR H 1 114 VAL MG2 5.500 . 6.500 3.378 3.378 3.378 . 0 0 "[ ]" 1
1292 1 112 ALA MB 1 113 TYR H 3.700 . 5.300 2.299 2.299 2.299 . 0 0 "[ ]" 1
1293 1 113 TYR H 1 113 TYR HD1 3.600 . 5.300 3.596 3.596 3.596 . 0 0 "[ ]" 1
1294 1 113 TYR H 1 113 TYR HE1 5.000 . 5.300 5.101 5.101 5.101 . 0 0 "[ ]" 1
1295 1 113 TYR HA 1 113 TYR HB3 2.600 . 3.500 2.558 2.558 2.558 . 0 0 "[ ]" 1
1296 1 113 TYR HA 1 113 TYR HD1 2.500 . 2.700 1.914 1.914 1.914 . 0 0 "[ ]" 1
1297 1 113 TYR HD1 1 115 TYR HE2 3.600 . 5.300 1.947 1.947 1.947 . 0 0 "[ ]" 1
1298 1 112 ALA MB 1 113 TYR HD2 4.900 . 5.300 3.437 3.437 3.437 . 0 0 "[ ]" 1
1299 1 40 ASP HB2 1 113 TYR HD2 3.700 . 5.300 2.792 2.792 2.792 . 0 0 "[ ]" 1
1300 1 40 ASP HB2 1 113 TYR HE2 2.700 . 3.500 3.494 3.494 3.494 . 0 0 "[ ]" 1
1301 1 112 ALA MB 1 113 TYR HE2 5.300 . 6.500 4.246 4.246 4.246 . 0 0 "[ ]" 1
1302 1 114 VAL H 1 114 VAL MG2 3.900 . 5.300 2.182 2.182 2.182 . 0 0 "[ ]" 1
1303 1 114 VAL H 1 114 VAL HB 2.400 . 2.700 2.721 2.721 2.721 0.021 1 0 "[ ]" 1
1304 1 113 TYR HA 1 114 VAL H 2.800 . 3.500 2.570 2.570 2.570 . 0 0 "[ ]" 1
1305 1 112 ALA HA 1 114 VAL H 4.000 . 5.300 4.188 4.188 4.188 . 0 0 "[ ]" 1
1306 1 114 VAL H 1 115 TYR H 4.000 . 5.300 4.252 4.252 4.252 . 0 0 "[ ]" 1
1307 1 114 VAL HA 1 114 VAL HB 2.600 . 3.500 3.020 3.020 3.020 . 0 0 "[ ]" 1
1308 1 111 VAL MG1 1 114 VAL MG2 5.500 . 6.500 2.528 2.528 2.528 . 0 0 "[ ]" 1
1309 1 114 VAL MG2 1 115 TYR H 5.800 . 6.500 4.334 4.334 4.334 . 0 0 "[ ]" 1
1310 1 114 VAL MG1 1 115 TYR H 4.800 . 5.300 2.992 2.992 2.992 . 0 0 "[ ]" 1
1311 1 114 VAL HB 1 115 TYR H 4.200 . 5.300 4.282 4.282 4.282 . 0 0 "[ ]" 1
1312 1 115 TYR H 1 115 TYR HB3 3.600 . 5.300 3.874 3.874 3.874 . 0 0 "[ ]" 1
1313 1 115 TYR H 1 115 TYR HB2 3.000 . 3.500 2.781 2.781 2.781 . 0 0 "[ ]" 1
1314 1 114 VAL HA 1 115 TYR H 2.600 . 3.500 2.212 2.212 2.212 . 0 0 "[ ]" 1
1315 1 115 TYR H 1 115 TYR QD 4.500 . 5.300 3.025 3.025 3.025 . 0 0 "[ ]" 1
1316 1 115 TYR H 1 116 LYS H 4.000 . 5.300 4.202 4.202 4.202 . 0 0 "[ ]" 1
1317 1 115 TYR H 1 115 TYR QE 5.500 . 6.500 4.811 4.811 4.811 . 0 0 "[ ]" 1
1318 1 38 LEU MD2 1 115 TYR H 4.400 . 5.300 3.718 3.718 3.718 . 0 0 "[ ]" 1
1319 1 37 LEU MD2 1 115 TYR H 6.000 . 6.500 4.905 4.905 4.905 . 0 0 "[ ]" 1
1320 1 115 TYR HA 1 115 TYR HB3 2.500 . 2.700 2.440 2.440 2.440 . 0 0 "[ ]" 1
1321 1 115 TYR HA 1 115 TYR HD1 2.700 . 3.500 2.724 2.724 2.724 . 0 0 "[ ]" 1
1322 1 115 TYR HB3 1 115 TYR QD 3.000 . 3.500 2.487 2.487 2.487 . 0 0 "[ ]" 1
1323 1 113 TYR HB3 1 115 TYR HD2 4.300 . 5.300 3.499 3.499 3.499 . 0 0 "[ ]" 1
1324 1 113 TYR HB3 1 115 TYR HE2 2.700 . 3.500 2.742 2.742 2.742 . 0 0 "[ ]" 1
1325 1 113 TYR HD1 1 115 TYR QE 4.100 . 5.300 1.946 1.946 1.946 . 0 0 "[ ]" 1
1326 1 113 TYR HA 1 115 TYR QE 4.200 . 5.300 2.200 2.200 2.200 . 0 0 "[ ]" 1
1327 1 113 TYR HB2 1 115 TYR HE2 4.600 . 5.300 4.183 4.183 4.183 . 0 0 "[ ]" 1
1328 1 115 TYR HA 1 116 LYS H 2.700 . 3.500 2.191 2.191 2.191 . 0 0 "[ ]" 1
1329 1 115 TYR HD1 1 116 LYS H 3.900 . 5.300 4.437 4.437 4.437 . 0 0 "[ ]" 1
1330 1 115 TYR HB3 1 116 LYS H 3.500 . 5.300 3.535 3.535 3.535 . 0 0 "[ ]" 1
1331 1 116 LYS H 1 116 LYS HG2 3.000 . 3.500 2.636 2.636 2.636 . 0 0 "[ ]" 1
1332 1 116 LYS H 1 116 LYS HG3 3.400 . 3.500 2.041 2.041 2.041 . 0 0 "[ ]" 1
1333 1 116 LYS H 1 116 LYS QB 3.500 . 5.300 2.636 2.636 2.636 . 0 0 "[ ]" 1
1334 1 116 LYS H 1 116 LYS QD 4.500 . 5.300 4.035 4.035 4.035 . 0 0 "[ ]" 1
1335 1 114 VAL MG1 1 116 LYS H 6.000 . 6.500 4.472 4.472 4.472 . 0 0 "[ ]" 1
1336 1 114 VAL HA 1 116 LYS H 5.600 . 6.500 5.769 5.769 5.769 . 0 0 "[ ]" 1
1337 1 115 TYR HB2 1 116 LYS H 4.700 . 5.300 4.263 4.263 4.263 . 0 0 "[ ]" 1
1338 1 118 ASN H 1 118 ASN HB2 2.900 . 3.500 2.274 2.274 2.274 . 0 0 "[ ]" 1
1339 1 117 PRO HD2 1 118 ASN H 2.800 . 3.500 2.555 2.555 2.555 . 0 0 "[ ]" 1
1340 1 116 LYS HG3 1 118 ASN H 6.000 . 6.500 5.909 5.909 5.909 . 0 0 "[ ]" 1
1341 1 116 LYS HG2 1 118 ASN H 5.000 . 5.300 5.149 5.149 5.149 . 0 0 "[ ]" 1
1342 1 116 LYS QB 1 118 ASN H 4.700 . 5.300 4.172 4.172 4.172 . 0 0 "[ ]" 1
1343 1 116 LYS HA 1 118 ASN H 3.000 . 3.500 2.672 2.672 2.672 . 0 0 "[ ]" 1
1344 1 79 GLY HA3 1 118 ASN H 4.000 . 5.300 3.647 3.647 3.647 . 0 0 "[ ]" 1
1345 1 77 ASP HB3 1 118 ASN H 5.500 . 6.500 5.063 5.063 5.063 . 0 0 "[ ]" 1
1346 1 117 PRO HD3 1 118 ASN H 5.000 . 5.300 3.734 3.734 3.734 . 0 0 "[ ]" 1
1347 1 118 ASN HA 1 118 ASN HB2 3.000 . 3.500 3.013 3.013 3.013 . 0 0 "[ ]" 1
1348 1 118 ASN HA 1 118 ASN HB3 2.600 . 2.700 2.605 2.605 2.605 . 0 0 "[ ]" 1
1349 1 37 LEU MD2 1 118 ASN HA 6.000 . 6.500 4.983 4.983 4.983 . 0 0 "[ ]" 1
1350 1 89 LEU MD1 1 118 ASN HD22 4.500 . 5.300 3.136 3.136 3.136 . 0 0 "[ ]" 1
1351 1 80 GLN HB2 1 118 ASN HD22 3.900 . 5.300 3.246 3.246 3.246 . 0 0 "[ ]" 1
1352 1 80 GLN HB3 1 118 ASN HD22 4.300 . 5.300 4.743 4.743 4.743 . 0 0 "[ ]" 1
1353 1 80 GLN QG 1 118 ASN HD22 5.000 . 5.300 4.113 4.113 4.113 . 0 0 "[ ]" 1
1354 1 79 GLY HA3 1 118 ASN HD22 3.600 . 5.300 2.812 2.812 2.812 . 0 0 "[ ]" 1
1355 1 118 ASN HB2 1 118 ASN HD22 3.600 . 5.300 3.607 3.607 3.607 . 0 0 "[ ]" 1
1356 1 79 GLY H 1 118 ASN HD22 4.200 . 5.300 4.053 4.053 4.053 . 0 0 "[ ]" 1
1357 1 37 LEU MD1 1 118 ASN HD22 5.700 . 6.500 4.220 4.220 4.220 . 0 0 "[ ]" 1
1358 1 37 LEU MD2 1 118 ASN HD22 5.300 . 6.500 4.320 4.320 4.320 . 0 0 "[ ]" 1
1359 1 89 LEU MD1 1 118 ASN HD21 4.500 . 5.300 2.844 2.844 2.844 . 0 0 "[ ]" 1
1360 1 80 GLN HB3 1 118 ASN HD21 5.500 . 6.500 5.746 5.746 5.746 . 0 0 "[ ]" 1
1361 1 80 GLN HB2 1 118 ASN HD21 5.200 . 5.300 4.033 4.033 4.033 . 0 0 "[ ]" 1
1362 1 80 GLN QG 1 118 ASN HD21 6.000 . 6.500 4.921 4.921 4.921 . 0 0 "[ ]" 1
1363 1 79 GLY HA3 1 118 ASN HD21 4.400 . 5.300 3.814 3.814 3.814 . 0 0 "[ ]" 1
1364 1 118 ASN HB2 1 118 ASN HD21 3.400 . 3.500 2.490 2.490 2.490 . 0 0 "[ ]" 1
1365 1 79 GLY H 1 118 ASN HD21 4.800 . 5.300 5.131 5.131 5.131 . 0 0 "[ ]" 1
1366 1 37 LEU MD1 1 118 ASN HD21 5.500 . 6.500 3.931 3.931 3.931 . 0 0 "[ ]" 1
1367 1 37 LEU MD2 1 118 ASN HD21 4.000 . 5.300 3.371 3.371 3.371 . 0 0 "[ ]" 1
1368 1 118 ASN HA 1 119 ASN H 2.900 . 3.500 2.398 2.398 2.398 . 0 0 "[ ]" 1
1369 1 119 ASN H 1 119 ASN HB3 3.400 . 3.500 3.451 3.451 3.451 . 0 0 "[ ]" 1
1370 1 119 ASN H 1 119 ASN HB2 3.900 . 5.300 4.043 4.043 4.043 . 0 0 "[ ]" 1
1371 1 118 ASN H 1 119 ASN H 4.100 . 5.300 3.993 3.993 3.993 . 0 0 "[ ]" 1
1372 1 78 LYS H 1 119 ASN H 4.900 . 5.300 4.934 4.934 4.934 . 0 0 "[ ]" 1
1373 1 119 ASN HA 1 119 ASN HB2 3.000 . 3.500 2.442 2.442 2.442 . 0 0 "[ ]" 1
1374 1 38 LEU MD2 1 119 ASN HA 5.100 . 5.300 1.857 1.857 1.857 . 0 0 "[ ]" 1
1375 1 114 VAL MG1 1 119 ASN HA 5.700 . 6.500 3.817 3.817 3.817 . 0 0 "[ ]" 1
1376 1 38 LEU MD1 1 119 ASN HA 5.000 . 5.300 1.961 1.961 1.961 . 0 0 "[ ]" 1
1377 1 116 LYS HG2 1 119 ASN HD21 4.100 . 5.300 2.950 2.950 2.950 . 0 0 "[ ]" 1
1378 1 114 VAL MG1 1 119 ASN HD21 3.600 . 5.300 3.080 3.080 3.080 . 0 0 "[ ]" 1
1379 1 119 ASN HB2 1 119 ASN HD22 4.000 . 5.300 3.609 3.609 3.609 . 0 0 "[ ]" 1
1380 1 116 LYS HG2 1 119 ASN HD22 5.000 . 5.300 2.754 2.754 2.754 . 0 0 "[ ]" 1
1381 1 116 LYS HG3 1 119 ASN HD22 4.800 . 5.300 4.395 4.395 4.395 . 0 0 "[ ]" 1
1382 1 116 LYS QD 1 119 ASN HD22 3.500 . 5.300 2.922 2.922 2.922 . 0 0 "[ ]" 1
1383 1 114 VAL MG1 1 119 ASN HD22 4.800 . 5.300 4.432 4.432 4.432 . 0 0 "[ ]" 1
1384 1 120 THR H 1 120 THR HB 3.500 . 5.300 2.566 2.566 2.566 . 0 0 "[ ]" 1
1385 1 120 THR H 1 120 THR HA 2.800 . 3.500 2.863 2.863 2.863 . 0 0 "[ ]" 1
1386 1 119 ASN HA 1 120 THR H 3.400 . 3.500 2.997 2.997 2.997 . 0 0 "[ ]" 1
1387 1 120 THR H 1 121 HIS H 3.000 . 3.500 2.679 2.679 2.679 . 0 0 "[ ]" 1
1388 1 120 THR H 1 122 GLU H 4.500 . 5.300 4.125 4.125 4.125 . 0 0 "[ ]" 1
1389 1 119 ASN H 1 120 THR H 2.600 . 2.700 1.908 1.908 1.908 . 0 0 "[ ]" 1
1390 1 91 TYR HE2 1 120 THR H 4.300 . 5.300 4.828 4.828 4.828 . 0 0 "[ ]" 1
1391 1 78 LYS HG3 1 120 THR H 5.700 . 6.500 6.371 6.371 6.371 . 0 0 "[ ]" 1
1392 1 7 LEU MD1 1 120 THR HB 5.000 . 5.300 3.173 3.173 3.173 . 0 0 "[ ]" 1
1393 1 78 LYS HB3 1 120 THR HB 5.700 . 6.500 6.354 6.354 6.354 . 0 0 "[ ]" 1
1394 1 121 HIS H 1 121 HIS HB2 3.500 . 5.300 2.299 2.299 2.299 . 0 0 "[ ]" 1
1395 1 120 THR HA 1 121 HIS H 3.800 . 5.300 3.553 3.553 3.553 . 0 0 "[ ]" 1
1396 1 121 HIS H 1 121 HIS HB3 3.800 . 5.300 3.587 3.587 3.587 . 0 0 "[ ]" 1
1397 1 120 THR HB 1 121 HIS H 3.400 . 3.500 2.651 2.651 2.651 . 0 0 "[ ]" 1
1398 1 120 THR MG 1 121 HIS H 5.000 . 5.300 3.593 3.593 3.593 . 0 0 "[ ]" 1
1399 1 119 ASN HA 1 121 HIS H 5.100 . 5.300 3.639 3.639 3.639 . 0 0 "[ ]" 1
1400 1 91 TYR QE 1 121 HIS H 4.600 . 5.300 3.721 3.721 3.721 . 0 0 "[ ]" 1
1401 1 7 LEU MD1 1 121 HIS H 5.800 . 6.500 4.886 4.886 4.886 . 0 0 "[ ]" 1
1402 1 38 LEU MD1 1 121 HIS H 4.500 . 5.300 2.670 2.670 2.670 . 0 0 "[ ]" 1
1403 1 121 HIS H 1 124 LEU HB3 6.000 . 6.500 6.397 6.397 6.397 . 0 0 "[ ]" 1
1404 1 121 HIS HA 1 121 HIS HB2 2.700 . 3.500 3.011 3.011 3.011 . 0 0 "[ ]" 1
1405 1 121 HIS HA 1 121 HIS HB3 2.300 . 2.700 2.615 2.615 2.615 . 0 0 "[ ]" 1
1406 1 121 HIS HA 1 121 HIS HD2 4.500 . 5.300 4.583 4.583 4.583 . 0 0 "[ ]" 1
1407 1 120 THR MG 1 121 HIS HA 4.800 . 5.300 3.684 3.684 3.684 . 0 0 "[ ]" 1
1408 1 121 HIS HA 1 124 LEU MD2 6.000 . 6.500 4.774 4.774 4.774 . 0 0 "[ ]" 1
1409 1 121 HIS HA 1 124 LEU QB 5.400 . 6.500 3.588 3.588 3.588 . 0 0 "[ ]" 1
1410 1 120 THR HA 1 121 HIS HA 3.400 . 5.300 4.633 4.633 4.633 . 0 0 "[ ]" 1
1411 1 121 HIS HB2 1 121 HIS HD2 2.700 . 3.500 2.777 2.777 2.777 . 0 0 "[ ]" 1
1412 1 121 HIS HB3 1 121 HIS HD2 3.500 . 5.300 3.584 3.584 3.584 . 0 0 "[ ]" 1
1413 1 98 MET ME 1 121 HIS HD2 3.700 . 5.300 3.805 3.805 3.805 . 0 0 "[ ]" 1
1414 1 122 GLU H 1 122 GLU HA 2.800 . 3.500 2.921 2.921 2.921 . 0 0 "[ ]" 1
1415 1 119 ASN HB2 1 122 GLU H 3.500 . 5.300 3.995 3.995 3.995 . 0 0 "[ ]" 1
1416 1 122 GLU H 1 122 GLU HB2 2.800 . 3.500 2.587 2.587 2.587 . 0 0 "[ ]" 1
1417 1 122 GLU H 1 122 GLU HB3 2.600 . 2.700 2.579 2.579 2.579 . 0 0 "[ ]" 1
1418 1 119 ASN HA 1 122 GLU H 3.600 . 5.300 3.725 3.725 3.725 . 0 0 "[ ]" 1
1419 1 121 HIS HA 1 122 GLU H 3.000 . 3.500 3.027 3.027 3.027 . 0 0 "[ ]" 1
1420 1 121 HIS H 1 122 GLU H 3.100 . 3.500 2.784 2.784 2.784 . 0 0 "[ ]" 1
1421 1 91 TYR HE1 1 122 GLU H 5.300 . 6.500 5.652 5.652 5.652 . 0 0 "[ ]" 1
1422 1 122 GLU H 1 123 GLN H 2.900 . 3.500 2.424 2.424 2.424 . 0 0 "[ ]" 1
1423 1 38 LEU MD1 1 122 GLU H 4.600 . 5.300 2.811 2.811 2.811 . 0 0 "[ ]" 1
1424 1 122 GLU H 1 123 GLN HA 5.600 . 6.500 5.091 5.091 5.091 . 0 0 "[ ]" 1
1425 1 122 GLU HA 1 122 GLU HB2 2.600 . 2.700 2.514 2.514 2.514 . 0 0 "[ ]" 1
1426 1 122 GLU HA 1 122 GLU HB3 2.700 . 3.500 3.031 3.031 3.031 . 0 0 "[ ]" 1
1427 1 122 GLU HA 1 125 LEU HB2 3.000 . 3.500 2.730 2.730 2.730 . 0 0 "[ ]" 1
1428 1 122 GLU HB2 1 123 GLN H 5.000 . 5.300 4.028 4.028 4.028 . 0 0 "[ ]" 1
1429 1 123 GLN H 1 124 LEU H 2.600 . 3.500 2.685 2.685 2.685 . 0 0 "[ ]" 1
1430 1 123 GLN H 1 123 GLN HB2 2.500 . 2.700 2.119 2.119 2.119 . 0 0 "[ ]" 1
1431 1 123 GLN H 1 123 GLN HA 2.700 . 3.500 2.891 2.891 2.891 . 0 0 "[ ]" 1
1432 1 123 GLN H 1 123 GLN QG 3.600 . 5.300 3.983 3.983 3.983 . 0 0 "[ ]" 1
1433 1 123 GLN H 1 125 LEU H 4.000 . 5.300 4.026 4.026 4.026 . 0 0 "[ ]" 1
1434 1 123 GLN H 1 124 LEU HB2 5.500 . 6.500 5.140 5.140 5.140 . 0 0 "[ ]" 1
1435 1 121 HIS HA 1 123 GLN H 4.300 . 5.300 3.484 3.484 3.484 . 0 0 "[ ]" 1
1436 1 122 GLU HA 1 123 GLN H 3.500 . 5.300 3.486 3.486 3.486 . 0 0 "[ ]" 1
1437 1 123 GLN HA 1 123 GLN HB2 2.700 . 3.500 2.809 2.809 2.809 . 0 0 "[ ]" 1
1438 1 123 GLN HA 1 126 ARG HB3 5.000 . 5.300 3.034 3.034 3.034 . 0 0 "[ ]" 1
1439 1 123 GLN HB2 1 124 LEU H 2.700 . 3.500 3.144 3.144 3.144 . 0 0 "[ ]" 1
1440 1 123 GLN HG3 1 124 LEU H 5.000 . 5.300 4.578 4.578 4.578 . 0 0 "[ ]" 1
1441 1 124 LEU H 1 124 LEU HA 3.000 . 3.500 2.850 2.850 2.850 . 0 0 "[ ]" 1
1442 1 124 LEU H 1 124 LEU HB3 2.700 . 3.500 2.542 2.542 2.542 . 0 0 "[ ]" 1
1443 1 124 LEU H 1 124 LEU HB2 2.300 . 2.700 2.558 2.558 2.558 . 0 0 "[ ]" 1
1444 1 123 GLN HA 1 124 LEU H 3.500 . 5.300 3.579 3.579 3.579 . 0 0 "[ ]" 1
1445 1 124 LEU H 1 124 LEU MD2 4.400 . 5.300 4.242 4.242 4.242 . 0 0 "[ ]" 1
1446 1 124 LEU H 1 124 LEU MD1 4.400 . 5.300 3.930 3.930 3.930 . 0 0 "[ ]" 1
1447 1 124 LEU H 1 124 LEU HG 3.800 . 5.300 4.479 4.479 4.479 . 0 0 "[ ]" 1
1448 1 121 HIS HA 1 124 LEU H 3.900 . 5.300 3.472 3.472 3.472 . 0 0 "[ ]" 1
1449 1 122 GLU H 1 124 LEU H 4.300 . 5.300 4.422 4.422 4.422 . 0 0 "[ ]" 1
1450 1 124 LEU H 1 125 LEU H 3.000 . 3.500 2.736 2.736 2.736 . 0 0 "[ ]" 1
1451 1 124 LEU H 1 126 ARG H 5.000 . 5.300 3.896 3.896 3.896 . 0 0 "[ ]" 1
1452 1 124 LEU HA 1 124 LEU HB2 2.200 . 2.700 2.466 2.466 2.466 . 0 0 "[ ]" 1
1453 1 124 LEU HA 1 127 LYS HB2 5.500 . 6.500 5.397 5.397 5.397 . 0 0 "[ ]" 1
1454 1 124 LEU HA 1 124 LEU MD1 4.000 . 5.300 1.864 1.864 1.864 . 0 0 "[ ]" 1
1455 1 125 LEU H 1 125 LEU HA 2.800 . 3.500 2.889 2.889 2.889 . 0 0 "[ ]" 1
1456 1 125 LEU H 1 125 LEU HB2 2.700 . 3.500 2.576 2.576 2.576 . 0 0 "[ ]" 1
1457 1 125 LEU H 1 125 LEU HG 2.600 . 2.700 1.986 1.986 1.986 . 0 0 "[ ]" 1
1458 1 125 LEU H 1 125 LEU HB3 3.500 . 5.300 3.625 3.625 3.625 . 0 0 "[ ]" 1
1459 1 125 LEU H 1 125 LEU MD1 4.400 . 5.300 3.452 3.452 3.452 . 0 0 "[ ]" 1
1460 1 125 LEU H 1 125 LEU MD2 4.100 . 5.300 3.229 3.229 3.229 . 0 0 "[ ]" 1
1461 1 122 GLU HA 1 125 LEU H 3.600 . 5.300 3.573 3.573 3.573 . 0 0 "[ ]" 1
1462 1 125 LEU H 1 126 ARG H 2.800 . 3.500 2.549 2.549 2.549 . 0 0 "[ ]" 1
1463 1 124 LEU HB2 1 125 LEU H 4.500 . 5.300 3.873 3.873 3.873 . 0 0 "[ ]" 1
1464 1 125 LEU HA 1 125 LEU MD2 4.500 . 5.300 2.169 2.169 2.169 . 0 0 "[ ]" 1
1465 1 125 LEU HA 1 125 LEU MD1 4.500 . 5.300 3.845 3.845 3.845 . 0 0 "[ ]" 1
1466 1 125 LEU HA 1 125 LEU HB3 2.400 . 2.700 2.436 2.436 2.436 . 0 0 "[ ]" 1
1467 1 125 LEU HA 1 125 LEU HG 3.400 . 3.500 3.033 3.033 3.033 . 0 0 "[ ]" 1
1468 1 125 LEU HA 1 128 SER QB 4.500 . 5.300 3.162 3.162 3.162 . 0 0 "[ ]" 1
1469 1 104 VAL QG 1 125 LEU HA 5.900 . 6.500 3.216 3.216 3.216 . 0 0 "[ ]" 1
1470 1 126 ARG H 1 126 ARG HB2 2.400 . 2.700 2.363 2.363 2.363 . 0 0 "[ ]" 1
1471 1 126 ARG H 1 127 LYS H 2.700 . 3.500 2.849 2.849 2.849 . 0 0 "[ ]" 1
1472 1 126 ARG H 1 126 ARG HA 2.700 . 3.500 2.902 2.902 2.902 . 0 0 "[ ]" 1
1473 1 125 LEU HA 1 126 ARG H 3.600 . 5.300 3.463 3.463 3.463 . 0 0 "[ ]" 1
1474 1 126 ARG H 1 126 ARG QG 3.800 . 5.300 3.938 3.938 3.938 . 0 0 "[ ]" 1
1475 1 125 LEU HB3 1 126 ARG H 4.000 . 5.300 4.089 4.089 4.089 . 0 0 "[ ]" 1
1476 1 126 ARG H 1 126 ARG HB3 3.600 . 5.300 2.801 2.801 2.801 . 0 0 "[ ]" 1
1477 1 122 GLU HA 1 126 ARG H 4.000 . 5.300 4.148 4.148 4.148 . 0 0 "[ ]" 1
1478 1 123 GLN HA 1 126 ARG H 4.000 . 5.300 3.418 3.418 3.418 . 0 0 "[ ]" 1
1479 1 111 VAL MG2 1 126 ARG H 4.900 . 5.300 4.055 4.055 4.055 . 0 0 "[ ]" 1
1480 1 123 GLN HB2 1 126 ARG H 5.300 . 6.500 5.509 5.509 5.509 . 0 0 "[ ]" 1
1481 1 126 ARG HA 1 126 ARG HB2 2.800 . 3.500 2.620 2.620 2.620 . 0 0 "[ ]" 1
1482 1 126 ARG HA 1 129 GLU HB2 3.500 . 5.300 3.498 3.498 3.498 . 0 0 "[ ]" 1
1483 1 127 LYS H 1 128 SER H 2.700 . 3.500 2.748 2.748 2.748 . 0 0 "[ ]" 1
1484 1 125 LEU H 1 127 LYS H 3.800 . 5.300 4.894 4.894 4.894 . 0 0 "[ ]" 1
1485 1 127 LYS H 1 127 LYS HA 2.700 . 3.500 2.819 2.819 2.819 . 0 0 "[ ]" 1
1486 1 127 LYS H 1 127 LYS HB2 3.500 . 5.300 3.621 3.621 3.621 . 0 0 "[ ]" 1
1487 1 126 ARG HB2 1 127 LYS H 3.200 . 3.500 3.370 3.370 3.370 . 0 0 "[ ]" 1
1488 1 126 ARG HB3 1 127 LYS H 3.500 . 5.300 1.998 1.998 1.998 . 0 0 "[ ]" 1
1489 1 124 LEU MD1 1 127 LYS H 6.000 . 6.500 4.729 4.729 4.729 . 0 0 "[ ]" 1
1490 1 126 ARG HA 1 127 LYS H 3.600 . 5.300 3.585 3.585 3.585 . 0 0 "[ ]" 1
1491 1 124 LEU HA 1 127 LYS H 5.500 . 6.500 4.011 4.011 4.011 . 0 0 "[ ]" 1
1492 1 127 LYS HA 1 127 LYS HB2 2.500 . 2.700 2.479 2.479 2.479 . 0 0 "[ ]" 1
1493 1 127 LYS HA 1 130 ALA MB 4.700 . 5.300 2.718 2.718 2.718 . 0 0 "[ ]" 1
1494 1 127 LYS HB2 1 128 SER H 3.500 . 5.300 3.842 3.842 3.842 . 0 0 "[ ]" 1
1495 1 127 LYS HA 1 128 SER H 3.000 . 3.500 3.515 3.515 3.515 0.015 1 0 "[ ]" 1
1496 1 128 SER H 1 128 SER HB3 3.500 . 5.300 2.687 2.687 2.687 . 0 0 "[ ]" 1
1497 1 127 LYS QE 1 128 SER H 3.500 . 5.300 4.602 4.602 4.602 . 0 0 "[ ]" 1
1498 1 128 SER H 1 129 GLU HA 5.300 . 6.500 5.348 5.348 5.348 . 0 0 "[ ]" 1
1499 1 127 LYS HG2 1 128 SER H 4.500 . 5.300 2.246 2.246 2.246 . 0 0 "[ ]" 1
1500 1 125 LEU MD2 1 128 SER H 5.900 . 6.500 5.125 5.125 5.125 . 0 0 "[ ]" 1
1501 1 124 LEU MD1 1 128 SER H 5.700 . 6.500 3.875 3.875 3.875 . 0 0 "[ ]" 1
1502 1 127 LYS HG3 1 128 SER H 3.200 . 3.400 2.604 2.604 2.604 . 0 0 "[ ]" 1
1503 1 125 LEU HA 1 128 SER H 3.500 . 5.300 3.632 3.632 3.632 . 0 0 "[ ]" 1
1504 1 128 SER H 1 129 GLU H 2.900 . 3.500 2.715 2.715 2.715 . 0 0 "[ ]" 1
1505 1 126 ARG H 1 128 SER H 4.300 . 5.300 3.672 3.672 3.672 . 0 0 "[ ]" 1
1506 1 128 SER H 1 130 ALA H 4.500 . 5.300 4.070 4.070 4.070 . 0 0 "[ ]" 1
1507 1 104 VAL MG1 1 128 SER H 5.800 . 6.500 4.351 4.351 4.351 . 0 0 "[ ]" 1
1508 1 124 LEU HA 1 128 SER H 5.000 . 5.300 4.228 4.228 4.228 . 0 0 "[ ]" 1
1509 1 128 SER HA 1 128 SER HB3 2.600 . 2.700 2.427 2.427 2.427 . 0 0 "[ ]" 1
1510 1 128 SER HA 1 131 GLN HB3 3.000 . 3.500 2.888 2.888 2.888 . 0 0 "[ ]" 1
1511 1 129 GLU H 1 129 GLU HB2 2.800 . 3.500 2.309 2.309 2.309 . 0 0 "[ ]" 1
1512 1 129 GLU H 1 129 GLU HB3 3.100 . 3.500 2.839 2.839 2.839 . 0 0 "[ ]" 1
1513 1 129 GLU H 1 131 GLN H 4.300 . 5.300 4.218 4.218 4.218 . 0 0 "[ ]" 1
1514 1 127 LYS H 1 129 GLU H 3.900 . 5.300 4.528 4.528 4.528 . 0 0 "[ ]" 1
1515 1 127 LYS HB3 1 129 GLU H 5.500 . 6.500 6.161 6.161 6.161 . 0 0 "[ ]" 1
1516 1 128 SER HB3 1 129 GLU H 4.000 . 5.300 3.840 3.840 3.840 . 0 0 "[ ]" 1
1517 1 125 LEU HA 1 129 GLU H 3.500 . 5.300 3.865 3.865 3.865 . 0 0 "[ ]" 1
1518 1 125 LEU HB3 1 129 GLU H 5.000 . 5.300 4.817 4.817 4.817 . 0 0 "[ ]" 1
1519 1 111 VAL MG2 1 129 GLU H 5.100 . 5.300 3.564 3.564 3.564 . 0 0 "[ ]" 1
1520 1 104 VAL QG 1 129 GLU H 4.500 . 5.300 2.567 2.567 2.567 . 0 0 "[ ]" 1
1521 1 126 ARG HA 1 129 GLU H 5.000 . 5.300 3.567 3.567 3.567 . 0 0 "[ ]" 1
1522 1 129 GLU HA 1 129 GLU HB2 2.700 . 3.500 2.599 2.599 2.599 . 0 0 "[ ]" 1
1523 1 129 GLU HA 1 132 ALA MB 5.000 . 5.300 2.454 2.454 2.454 . 0 0 "[ ]" 1
1524 1 130 ALA H 1 131 GLN H 2.600 . 3.500 2.693 2.693 2.693 . 0 0 "[ ]" 1
1525 1 130 ALA H 1 132 ALA H 5.000 . 5.300 4.095 4.095 4.095 . 0 0 "[ ]" 1
1526 1 130 ALA H 1 130 ALA HA 2.600 . 3.500 2.850 2.850 2.850 . 0 0 "[ ]" 1
1527 1 127 LYS HA 1 130 ALA H 3.100 . 3.500 3.503 3.503 3.503 0.003 1 0 "[ ]" 1
1528 1 129 GLU HB3 1 130 ALA H 3.000 . 3.500 2.599 2.599 2.599 . 0 0 "[ ]" 1
1529 1 129 GLU HB2 1 130 ALA H 3.500 . 5.300 3.698 3.698 3.698 . 0 0 "[ ]" 1
1530 1 127 LYS HB2 1 130 ALA H 5.300 . 6.500 5.382 5.382 5.382 . 0 0 "[ ]" 1
1531 1 126 ARG HA 1 130 ALA H 4.000 . 5.300 4.417 4.417 4.417 . 0 0 "[ ]" 1
1532 1 129 GLU H 1 130 ALA H 2.900 . 3.500 2.783 2.783 2.783 . 0 0 "[ ]" 1
1533 1 104 VAL MG1 1 130 ALA H 6.000 . 6.500 4.295 4.295 4.295 . 0 0 "[ ]" 1
1534 1 130 ALA H 1 133 LYS HB2 4.800 . 5.300 5.083 5.083 5.083 . 0 0 "[ ]" 1
1535 1 130 ALA HA 1 133 LYS HB2 2.900 . 3.500 2.573 2.573 2.573 . 0 0 "[ ]" 1
1536 1 131 GLN H 1 131 GLN HB2 2.600 . 2.700 2.667 2.667 2.667 . 0 0 "[ ]" 1
1537 1 131 GLN H 1 131 GLN HA 2.700 . 3.500 2.874 2.874 2.874 . 0 0 "[ ]" 1
1538 1 130 ALA HA 1 131 GLN H 3.100 . 3.500 3.542 3.542 3.542 0.042 1 0 "[ ]" 1
1539 1 128 SER HA 1 131 GLN H 3.600 . 5.300 3.365 3.365 3.365 . 0 0 "[ ]" 1
1540 1 130 ALA MB 1 131 GLN H 3.800 . 5.300 2.604 2.604 2.604 . 0 0 "[ ]" 1
1541 1 131 GLN H 1 131 GLN HG3 4.000 . 5.300 4.425 4.425 4.425 . 0 0 "[ ]" 1
1542 1 131 GLN H 1 131 GLN HB3 2.700 . 3.500 2.472 2.472 2.472 . 0 0 "[ ]" 1
1543 1 131 GLN H 1 132 ALA MB 4.900 . 5.300 4.198 4.198 4.198 . 0 0 "[ ]" 1
1544 1 131 GLN H 1 133 LYS HB2 4.400 . 5.300 4.959 4.959 4.959 . 0 0 "[ ]" 1
1545 1 127 LYS HA 1 131 GLN H 4.100 . 5.300 4.418 4.418 4.418 . 0 0 "[ ]" 1
1546 1 131 GLN H 1 133 LYS H 3.800 . 5.300 4.054 4.054 4.054 . 0 0 "[ ]" 1
1547 1 131 GLN H 1 132 ALA H 2.800 . 3.500 2.603 2.603 2.603 . 0 0 "[ ]" 1
1548 1 131 GLN HA 1 131 GLN HG3 2.900 . 3.500 2.400 2.400 2.400 . 0 0 "[ ]" 1
1549 1 132 ALA H 1 132 ALA HA 3.000 . 3.500 2.867 2.867 2.867 . 0 0 "[ ]" 1
1550 1 132 ALA H 1 133 LYS H 2.600 . 3.500 2.613 2.613 2.613 . 0 0 "[ ]" 1
1551 1 132 ALA H 1 133 LYS HA 5.300 . 6.500 5.271 5.271 5.271 . 0 0 "[ ]" 1
1552 1 132 ALA H 1 133 LYS HB3 5.300 . 6.500 5.839 5.839 5.839 . 0 0 "[ ]" 1
1553 1 128 SER HA 1 132 ALA H 4.500 . 5.300 4.402 4.402 4.402 . 0 0 "[ ]" 1
1554 1 129 GLU HA 1 132 ALA H 5.000 . 5.300 3.289 3.289 3.289 . 0 0 "[ ]" 1
1555 1 131 GLN HG3 1 132 ALA H 3.500 . 5.300 4.235 4.235 4.235 . 0 0 "[ ]" 1
1556 1 131 GLN HB2 1 132 ALA H 3.500 . 5.300 3.974 3.974 3.974 . 0 0 "[ ]" 1
1557 1 131 GLN HB3 1 132 ALA H 2.900 . 3.500 2.690 2.690 2.690 . 0 0 "[ ]" 1
1558 1 130 ALA MB 1 132 ALA H 5.700 . 6.500 4.462 4.462 4.462 . 0 0 "[ ]" 1
1559 1 105 ARG HA 1 132 ALA H 4.200 . 5.300 5.194 5.194 5.194 . 0 0 "[ ]" 1
1560 1 133 LYS H 1 135 GLU H 3.500 . 5.300 3.728 3.728 3.728 . 0 0 "[ ]" 1
1561 1 133 LYS H 1 134 LYS H 2.700 . 3.500 2.784 2.784 2.784 . 0 0 "[ ]" 1
1562 1 131 GLN HB2 1 133 LYS H 5.400 . 6.500 5.763 5.763 5.763 . 0 0 "[ ]" 1
1563 1 133 LYS H 1 133 LYS HA 2.700 . 3.500 2.855 2.855 2.855 . 0 0 "[ ]" 1
1564 1 132 ALA MB 1 133 LYS H 4.000 . 5.300 2.736 2.736 2.736 . 0 0 "[ ]" 1
1565 1 133 LYS H 1 133 LYS HD2 5.000 . 5.300 4.920 4.920 4.920 . 0 0 "[ ]" 1
1566 1 133 LYS H 1 133 LYS HB2 2.700 . 3.500 2.093 2.093 2.093 . 0 0 "[ ]" 1
1567 1 133 LYS H 1 133 LYS HB3 3.000 . 3.500 3.371 3.371 3.371 . 0 0 "[ ]" 1
1568 1 133 LYS H 1 133 LYS QE 4.000 . 5.300 4.689 4.689 4.689 . 0 0 "[ ]" 1
1569 1 133 LYS H 1 133 LYS QG 4.300 . 5.300 3.267 3.267 3.267 . 0 0 "[ ]" 1
1570 1 130 ALA HA 1 133 LYS H 3.400 . 3.500 3.342 3.342 3.342 . 0 0 "[ ]" 1
1571 1 132 ALA HA 1 133 LYS H 3.500 . 5.300 3.534 3.534 3.534 . 0 0 "[ ]" 1
1572 1 130 ALA MB 1 133 LYS H 5.000 . 5.300 4.489 4.489 4.489 . 0 0 "[ ]" 1
1573 1 133 LYS H 1 140 TRP HB2 5.400 . 6.500 5.304 5.304 5.304 . 0 0 "[ ]" 1
1574 1 133 LYS HA 1 140 TRP HB2 2.700 . 3.500 3.068 3.068 3.068 . 0 0 "[ ]" 1
1575 1 133 LYS HA 1 133 LYS QG 2.900 . 3.500 1.968 1.968 1.968 . 0 0 "[ ]" 1
1576 1 133 LYS HA 1 133 LYS HD3 3.700 . 5.300 4.087 4.087 4.087 . 0 0 "[ ]" 1
1577 1 133 LYS HA 1 133 LYS HB2 2.600 . 3.500 2.901 2.901 2.901 . 0 0 "[ ]" 1
1578 1 133 LYS HA 1 133 LYS HB3 2.900 . 3.500 2.814 2.814 2.814 . 0 0 "[ ]" 1
1579 1 133 LYS HD3 1 133 LYS HG3 2.700 . 3.500 2.811 2.811 2.811 . 0 0 "[ ]" 1
1580 1 134 LYS H 1 135 GLU H 2.800 . 3.500 2.530 2.530 2.530 . 0 0 "[ ]" 1
1581 1 134 LYS H 1 136 LYS H 5.000 . 5.300 4.025 4.025 4.025 . 0 0 "[ ]" 1
1582 1 133 LYS HB3 1 134 LYS H 2.900 . 3.500 2.777 2.777 2.777 . 0 0 "[ ]" 1
1583 1 133 LYS HA 1 134 LYS H 3.600 . 5.300 3.580 3.580 3.580 . 0 0 "[ ]" 1
1584 1 134 LYS H 1 134 LYS HG2 2.700 . 3.500 3.198 3.198 3.198 . 0 0 "[ ]" 1
1585 1 133 LYS QG 1 134 LYS H 4.500 . 5.300 4.329 4.329 4.329 . 0 0 "[ ]" 1
1586 1 131 GLN H 1 134 LYS H 3.800 . 5.300 5.033 5.033 5.033 . 0 0 "[ ]" 1
1587 1 131 GLN HA 1 134 LYS H 4.500 . 5.300 3.473 3.473 3.473 . 0 0 "[ ]" 1
1588 1 133 LYS HB2 1 134 LYS H 3.000 . 3.500 2.918 2.918 2.918 . 0 0 "[ ]" 1
1589 1 134 LYS H 1 134 LYS HB3 2.800 . 3.500 3.460 3.460 3.460 . 0 0 "[ ]" 1
1590 1 134 LYS HA 1 134 LYS HG2 3.500 . 5.300 2.302 2.302 2.302 . 0 0 "[ ]" 1
1591 1 133 LYS HB3 1 134 LYS HA 3.600 . 5.300 3.900 3.900 3.900 . 0 0 "[ ]" 1
1592 1 135 GLU H 1 135 GLU HB2 2.600 . 2.700 2.141 2.141 2.141 . 0 0 "[ ]" 1
1593 1 135 GLU H 1 135 GLU HB3 3.700 . 5.300 3.388 3.388 3.388 . 0 0 "[ ]" 1
1594 1 135 GLU H 1 135 GLU HG2 3.500 . 5.300 4.319 4.319 4.319 . 0 0 "[ ]" 1
1595 1 135 GLU H 1 135 GLU HG3 2.700 . 3.500 3.446 3.446 3.446 . 0 0 "[ ]" 1
1596 1 131 GLN HG3 1 135 GLU H 5.400 . 6.500 4.333 4.333 4.333 . 0 0 "[ ]" 1
1597 1 134 LYS HA 1 135 GLU H 2.700 . 3.500 3.455 3.455 3.455 . 0 0 "[ ]" 1
1598 1 135 GLU H 1 135 GLU HA 3.000 . 3.500 2.935 2.935 2.935 . 0 0 "[ ]" 1
1599 1 133 LYS HA 1 135 GLU H 4.300 . 5.300 4.014 4.014 4.014 . 0 0 "[ ]" 1
1600 1 134 LYS HB3 1 135 GLU H 4.000 . 5.300 3.601 3.601 3.601 . 0 0 "[ ]" 1
1601 1 135 GLU H 1 136 LYS H 2.300 . 2.700 2.384 2.384 2.384 . 0 0 "[ ]" 1
1602 1 135 GLU H 1 137 LEU H 5.300 . 6.500 4.612 4.612 4.612 . 0 0 "[ ]" 1
1603 1 132 ALA HA 1 135 GLU H 5.000 . 5.300 3.251 3.251 3.251 . 0 0 "[ ]" 1
1604 1 136 LYS H 1 136 LYS HB3 3.900 . 5.300 4.095 4.095 4.095 . 0 0 "[ ]" 1
1605 1 136 LYS H 1 136 LYS HB2 3.800 . 5.300 3.271 3.271 3.271 . 0 0 "[ ]" 1
1606 1 136 LYS H 1 136 LYS QG 3.500 . 5.300 3.207 3.207 3.207 . 0 0 "[ ]" 1
1607 1 135 GLU HA 1 136 LYS H 3.200 . 3.500 3.417 3.417 3.417 . 0 0 "[ ]" 1
1608 1 132 ALA HA 1 136 LYS H 4.000 . 5.300 4.386 4.386 4.386 . 0 0 "[ ]" 1
1609 1 133 LYS HA 1 136 LYS H 3.500 . 5.300 3.472 3.472 3.472 . 0 0 "[ ]" 1
1610 1 136 LYS H 1 136 LYS HA 2.400 . 2.700 2.350 2.350 2.350 . 0 0 "[ ]" 1
1611 1 133 LYS HB2 1 136 LYS H 5.500 . 6.500 5.573 5.573 5.573 . 0 0 "[ ]" 1
1612 1 136 LYS H 1 140 TRP HB2 3.500 . 5.300 3.319 3.319 3.319 . 0 0 "[ ]" 1
1613 1 135 GLU HB2 1 136 LYS H 3.700 . 5.300 3.462 3.462 3.462 . 0 0 "[ ]" 1
1614 1 133 LYS HB3 1 136 LYS H 5.100 . 5.300 5.084 5.084 5.084 . 0 0 "[ ]" 1
1615 1 136 LYS HA 1 136 LYS HB3 2.400 . 2.700 2.651 2.651 2.651 . 0 0 "[ ]" 1
1616 1 136 LYS HA 1 140 TRP HB2 3.200 . 3.500 2.105 2.105 2.105 . 0 0 "[ ]" 1
1617 1 137 LEU H 1 137 LEU HB3 3.500 . 5.300 3.316 3.316 3.316 . 0 0 "[ ]" 1
1618 1 137 LEU H 1 137 LEU HB2 2.600 . 2.700 2.253 2.253 2.253 . 0 0 "[ ]" 1
1619 1 137 LEU H 1 137 LEU MD2 5.300 . 6.500 2.997 2.997 2.997 . 0 0 "[ ]" 1
1620 1 136 LYS HA 1 137 LEU H 2.700 . 3.500 2.572 2.572 2.572 . 0 0 "[ ]" 1
1621 1 137 LEU H 1 137 LEU HA 3.000 . 3.500 2.971 2.971 2.971 . 0 0 "[ ]" 1
1622 1 135 GLU HA 1 137 LEU H 5.000 . 5.300 5.323 5.323 5.323 0.023 1 0 "[ ]" 1
1623 1 137 LEU H 1 137 LEU MD1 5.000 . 6.500 4.305 4.305 4.305 . 0 0 "[ ]" 1
1624 1 132 ALA HA 1 137 LEU H 3.500 . 5.300 4.325 4.325 4.325 . 0 0 "[ ]" 1
1625 1 137 LEU H 1 140 TRP HB2 3.400 . 5.300 2.259 2.259 2.259 . 0 0 "[ ]" 1
1626 1 136 LYS H 1 137 LEU H 2.800 . 3.500 3.078 3.078 3.078 . 0 0 "[ ]" 1
1627 1 135 GLU HB3 1 137 LEU H 4.900 . 5.300 3.755 3.755 3.755 . 0 0 "[ ]" 1
1628 1 137 LEU H 1 140 TRP HB3 3.700 . 5.300 3.907 3.907 3.907 . 0 0 "[ ]" 1
1629 1 137 LEU H 1 140 TRP HD1 4.000 . 5.300 2.600 2.600 2.600 . 0 0 "[ ]" 1
1630 1 135 GLU HB2 1 137 LEU H 3.700 . 5.300 4.313 4.313 4.313 . 0 0 "[ ]" 1
1631 1 136 LYS HB2 1 137 LEU H 4.500 . 5.300 4.505 4.505 4.505 . 0 0 "[ ]" 1
1632 1 133 LYS HA 1 137 LEU H 3.500 . 5.300 4.409 4.409 4.409 . 0 0 "[ ]" 1
1633 1 107 GLY HA2 1 137 LEU H 5.500 . 6.500 4.929 4.929 4.929 . 0 0 "[ ]" 1
1634 1 137 LEU HA 1 137 LEU HB3 3.000 . 3.500 2.826 2.826 2.826 . 0 0 "[ ]" 1
1635 1 137 LEU HA 1 137 LEU MD2 4.100 . 5.300 1.930 1.930 1.930 . 0 0 "[ ]" 1
1636 1 138 ASN H 1 140 TRP H 4.300 . 5.300 4.352 4.352 4.352 . 0 0 "[ ]" 1
1637 1 137 LEU HA 1 138 ASN H 3.500 . 5.300 2.322 2.322 2.322 . 0 0 "[ ]" 1
1638 1 54 TYR HE1 1 138 ASN H 4.600 . 5.300 5.139 5.139 5.139 . 0 0 "[ ]" 1
1639 1 137 LEU H 1 138 ASN H 4.500 . 5.300 3.963 3.963 3.963 . 0 0 "[ ]" 1
1640 1 138 ASN H 1 141 SER H 4.400 . 5.300 5.200 5.200 5.200 . 0 0 "[ ]" 1
1641 1 138 ASN H 1 139 ILE H 4.400 . 5.300 4.428 4.428 4.428 . 0 0 "[ ]" 1
1642 1 138 ASN H 1 138 ASN HA 2.700 . 3.500 2.335 2.335 2.335 . 0 0 "[ ]" 1
1643 1 138 ASN H 1 138 ASN HB2 3.900 . 5.300 3.659 3.659 3.659 . 0 0 "[ ]" 1
1644 1 137 LEU HB3 1 138 ASN H 3.600 . 5.300 4.171 4.171 4.171 . 0 0 "[ ]" 1
1645 1 137 LEU HB2 1 138 ASN H 3.500 . 5.300 4.672 4.672 4.672 . 0 0 "[ ]" 1
1646 1 137 LEU MD2 1 138 ASN H 4.400 . 5.300 3.801 3.801 3.801 . 0 0 "[ ]" 1
1647 1 137 LEU MD1 1 138 ASN H 5.500 . 6.500 3.318 3.318 3.318 . 0 0 "[ ]" 1
1648 1 138 ASN HA 1 138 ASN HB2 2.700 . 3.500 3.031 3.031 3.031 . 0 0 "[ ]" 1
1649 1 106 GLN HB3 1 138 ASN HD22 4.100 . 5.300 4.937 4.937 4.937 . 0 0 "[ ]" 1
1650 1 106 GLN HG3 1 138 ASN HD22 4.000 . 5.300 2.975 2.975 2.975 . 0 0 "[ ]" 1
1651 1 138 ASN HB3 1 138 ASN HD22 4.000 . 5.300 3.960 3.960 3.960 . 0 0 "[ ]" 1
1652 1 138 ASN HB2 1 138 ASN HD22 3.500 . 5.300 3.508 3.508 3.508 . 0 0 "[ ]" 1
1653 1 108 LEU HG 1 138 ASN HD22 3.900 . 5.300 3.894 3.894 3.894 . 0 0 "[ ]" 1
1654 1 137 LEU HB3 1 138 ASN HD22 4.200 . 5.300 4.225 4.225 4.225 . 0 0 "[ ]" 1
1655 1 137 LEU HB2 1 138 ASN HD22 5.300 . 6.500 5.786 5.786 5.786 . 0 0 "[ ]" 1
1656 1 108 LEU MD1 1 138 ASN HD22 5.200 . 5.300 4.301 4.301 4.301 . 0 0 "[ ]" 1
1657 1 108 LEU MD2 1 138 ASN HD22 5.000 . 5.300 3.418 3.418 3.418 . 0 0 "[ ]" 1
1658 1 137 LEU MD2 1 138 ASN HD22 5.500 . 6.500 4.799 4.799 4.799 . 0 0 "[ ]" 1
1659 1 137 LEU MD1 1 138 ASN HD22 5.800 . 6.500 2.499 2.499 2.499 . 0 0 "[ ]" 1
1660 1 137 LEU HG 1 138 ASN HD22 5.000 . 5.300 5.206 5.206 5.206 . 0 0 "[ ]" 1
1661 1 106 GLN HB3 1 138 ASN HD21 3.700 . 5.300 4.380 4.380 4.380 . 0 0 "[ ]" 1
1662 1 138 ASN HB2 1 138 ASN HD21 3.300 . 3.500 2.243 2.243 2.243 . 0 0 "[ ]" 1
1663 1 108 LEU HG 1 138 ASN HD21 3.300 . 3.500 2.919 2.919 2.919 . 0 0 "[ ]" 1
1664 1 137 LEU HB3 1 138 ASN HD21 4.000 . 5.300 3.247 3.247 3.247 . 0 0 "[ ]" 1
1665 1 137 LEU HB2 1 138 ASN HD21 5.000 . 5.300 4.970 4.970 4.970 . 0 0 "[ ]" 1
1666 1 108 LEU MD1 1 138 ASN HD21 6.000 . 6.500 4.067 4.067 4.067 . 0 0 "[ ]" 1
1667 1 108 LEU MD2 1 138 ASN HD21 5.100 . 5.300 2.570 2.570 2.570 . 0 0 "[ ]" 1
1668 1 137 LEU MD2 1 138 ASN HD21 6.000 . 6.500 4.927 4.927 4.927 . 0 0 "[ ]" 1
1669 1 137 LEU MD1 1 138 ASN HD21 5.600 . 6.500 2.650 2.650 2.650 . 0 0 "[ ]" 1
1670 1 139 ILE H 1 140 TRP H 2.900 . 3.500 3.063 3.063 3.063 . 0 0 "[ ]" 1
1671 1 139 ILE H 1 139 ILE HB 2.900 . 3.500 2.652 2.652 2.652 . 0 0 "[ ]" 1
1672 1 139 ILE H 1 139 ILE QG 2.900 . 3.500 2.151 2.151 2.151 . 0 0 "[ ]" 1
1673 1 139 ILE H 1 139 ILE MD 5.300 . 6.500 2.634 2.634 2.634 . 0 0 "[ ]" 1
1674 1 138 ASN HB3 1 139 ILE H 3.200 . 3.500 2.355 2.355 2.355 . 0 0 "[ ]" 1
1675 1 138 ASN HB2 1 139 ILE H 3.100 . 3.500 1.814 1.814 1.814 . 0 0 "[ ]" 1
1676 1 138 ASN HA 1 139 ILE H 4.600 . 5.300 3.433 3.433 3.433 . 0 0 "[ ]" 1
1677 1 108 LEU MD2 1 139 ILE H 5.400 . 6.500 4.038 4.038 4.038 . 0 0 "[ ]" 1
1678 1 139 ILE HA 1 139 ILE QG 3.100 . 3.500 2.328 2.328 2.328 . 0 0 "[ ]" 1
1679 1 139 ILE MG 1 140 TRP H 4.100 . 5.300 3.417 3.417 3.417 . 0 0 "[ ]" 1
1680 1 139 ILE HB 1 140 TRP H 3.200 . 3.500 2.583 2.583 2.583 . 0 0 "[ ]" 1
1681 1 140 TRP H 1 140 TRP HB3 3.800 . 5.300 3.649 3.649 3.649 . 0 0 "[ ]" 1
1682 1 140 TRP H 1 140 TRP HB2 3.000 . 3.500 2.628 2.628 2.628 . 0 0 "[ ]" 1
1683 1 139 ILE QG 1 140 TRP H 3.800 . 5.300 4.225 4.225 4.225 . 0 0 "[ ]" 1
1684 1 139 ILE MD 1 140 TRP H 5.400 . 6.500 3.876 3.876 3.876 . 0 0 "[ ]" 1
1685 1 137 LEU HB3 1 140 TRP H 4.400 . 5.300 4.728 4.728 4.728 . 0 0 "[ ]" 1
1686 1 139 ILE HA 1 140 TRP H 3.700 . 5.300 3.564 3.564 3.564 . 0 0 "[ ]" 1
1687 1 140 TRP H 1 140 TRP HD1 3.100 . 3.500 2.606 2.606 2.606 . 0 0 "[ ]" 1
1688 1 133 LYS HA 1 140 TRP HA 3.700 . 5.300 4.364 4.364 4.364 . 0 0 "[ ]" 1
1689 1 140 TRP HA 1 140 TRP HB3 2.700 . 3.500 2.397 2.397 2.397 . 0 0 "[ ]" 1
1690 1 140 TRP HA 1 140 TRP HB2 3.000 . 3.500 3.026 3.026 3.026 . 0 0 "[ ]" 1
1691 1 137 LEU HB3 1 140 TRP HD1 5.000 . 5.300 3.510 3.510 3.510 . 0 0 "[ ]" 1
1692 1 137 LEU HB2 1 140 TRP HD1 4.000 . 5.300 3.145 3.145 3.145 . 0 0 "[ ]" 1
1693 1 132 ALA MB 1 140 TRP HD1 4.000 . 5.300 2.871 2.871 2.871 . 0 0 "[ ]" 1
1694 1 137 LEU MD1 1 140 TRP HD1 6.000 . 6.500 5.166 5.166 5.166 . 0 0 "[ ]" 1
1695 1 139 ILE MD 1 140 TRP HD1 4.700 . 5.300 4.129 4.129 4.129 . 0 0 "[ ]" 1
1696 1 140 TRP HB3 1 140 TRP HD1 3.600 . 5.300 3.727 3.727 3.727 . 0 0 "[ ]" 1
1697 1 107 GLY HA2 1 140 TRP HD1 2.900 . 3.500 3.059 3.059 3.059 . 0 0 "[ ]" 1
1698 1 133 LYS QG 1 140 TRP HD1 5.500 . 6.500 4.914 4.914 4.914 . 0 0 "[ ]" 1
1699 1 139 ILE HB 1 140 TRP HD1 4.600 . 5.300 3.609 3.609 3.609 . 0 0 "[ ]" 1
1700 1 140 TRP HB2 1 140 TRP HD1 2.700 . 3.500 2.569 2.569 2.569 . 0 0 "[ ]" 1
1701 1 107 GLY HA3 1 140 TRP HD1 3.100 . 3.500 2.364 2.364 2.364 . 0 0 "[ ]" 1
1702 1 140 TRP HA 1 140 TRP HE3 2.500 . 2.700 2.680 2.680 2.680 . 0 0 "[ ]" 1
1703 1 140 TRP HB3 1 140 TRP HE3 3.000 . 3.500 2.788 2.788 2.788 . 0 0 "[ ]" 1
1704 1 129 GLU HA 1 140 TRP HZ2 5.300 . 6.500 4.638 4.638 4.638 . 0 0 "[ ]" 1
1705 1 110 LYS HG3 1 140 TRP HZ2 3.500 . 5.300 4.981 4.981 4.981 . 0 0 "[ ]" 1
1706 1 110 LYS HB3 1 140 TRP HZ2 3.800 . 5.300 2.187 2.187 2.187 . 0 0 "[ ]" 1
1707 1 133 LYS QG 1 140 TRP HZ2 4.400 . 5.300 4.442 4.442 4.442 . 0 0 "[ ]" 1
1708 1 139 ILE HB 1 140 TRP HZ2 5.300 . 6.500 4.980 4.980 4.980 . 0 0 "[ ]" 1
1709 1 110 LYS HA 1 140 TRP HZ2 2.900 . 3.500 2.804 2.804 2.804 . 0 0 "[ ]" 1
1710 1 110 LYS HB3 1 140 TRP HH2 4.600 . 5.300 3.305 3.305 3.305 . 0 0 "[ ]" 1
1711 1 140 TRP H 1 141 SER H 2.800 . 3.500 3.321 3.321 3.321 . 0 0 "[ ]" 1
1712 1 141 SER H 1 142 GLU HB3 6.000 . 6.500 5.992 5.992 5.992 . 0 0 "[ ]" 1
1713 1 139 ILE HA 1 141 SER H 3.700 . 5.300 3.699 3.699 3.699 . 0 0 "[ ]" 1
1714 1 140 TRP HA 1 141 SER H 4.000 . 5.300 2.768 2.768 2.768 . 0 0 "[ ]" 1
1715 1 140 TRP HB3 1 141 SER H 4.300 . 5.300 4.518 4.518 4.518 . 0 0 "[ ]" 1
1716 1 140 TRP HB2 1 141 SER H 4.300 . 5.300 4.271 4.271 4.271 . 0 0 "[ ]" 1
1717 1 141 SER H 1 142 GLU QG 5.700 . 6.500 5.534 5.534 5.534 . 0 0 "[ ]" 1
1718 1 139 ILE HB 1 141 SER H 4.500 . 5.300 5.053 5.053 5.053 . 0 0 "[ ]" 1
1719 1 139 ILE MG 1 141 SER H 5.200 . 5.300 4.113 4.113 4.113 . 0 0 "[ ]" 1
1720 1 139 ILE H 1 141 SER H 4.500 . 5.300 4.873 4.873 4.873 . 0 0 "[ ]" 1
1721 1 136 LYS HB3 1 141 SER H 5.800 . 6.500 5.611 5.611 5.611 . 0 0 "[ ]" 1
1722 1 142 GLU H 1 142 GLU HB2 2.700 . 3.500 2.194 2.194 2.194 . 0 0 "[ ]" 1
1723 1 142 GLU H 1 142 GLU HB3 3.500 . 5.300 3.510 3.510 3.510 . 0 0 "[ ]" 1
1724 1 142 GLU H 1 142 GLU HG3 3.000 . 3.500 3.408 3.408 3.408 . 0 0 "[ ]" 1
1725 1 142 GLU H 1 142 GLU HG2 3.200 . 3.500 3.466 3.466 3.466 . 0 0 "[ ]" 1
1726 1 141 SER QB 1 142 GLU H 3.600 . 5.300 1.998 1.998 1.998 . 0 0 "[ ]" 1
1727 1 141 SER HA 1 142 GLU H 3.100 . 3.500 3.539 3.539 3.539 0.039 1 0 "[ ]" 1
1728 1 142 GLU H 1 143 ASP H 3.600 . 5.300 4.510 4.510 4.510 . 0 0 "[ ]" 1
1729 1 141 SER H 1 142 GLU H 3.500 . 5.300 2.863 2.863 2.863 . 0 0 "[ ]" 1
1730 1 142 GLU HA 1 142 GLU HB3 2.800 . 3.500 2.679 2.679 2.679 . 0 0 "[ ]" 1
1731 1 142 GLU HB3 1 143 ASP H 3.000 . 3.500 1.937 1.937 1.937 . 0 0 "[ ]" 1
1732 1 143 ASP H 1 143 ASP HB2 2.800 . 3.500 3.133 3.133 3.133 . 0 0 "[ ]" 1
1733 1 143 ASP H 1 143 ASP HB3 3.100 . 3.500 3.369 3.369 3.369 . 0 0 "[ ]" 1
1734 1 142 GLU HB2 1 143 ASP H 3.400 . 3.500 3.453 3.453 3.453 . 0 0 "[ ]" 1
1735 1 142 GLU HG2 1 143 ASP H 4.200 . 5.300 3.792 3.792 3.792 . 0 0 "[ ]" 1
1736 1 142 GLU HA 1 143 ASP H 3.800 . 5.300 2.727 2.727 2.727 . 0 0 "[ ]" 1
stop_
save_
save_distance_constraint_statistics_2
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 2
_Distance_constraint_stats_list.Constraint_count 13
_Distance_constraint_stats_list.Viol_count 1
_Distance_constraint_stats_list.Viol_total 0.030
_Distance_constraint_stats_list.Viol_max 0.030
_Distance_constraint_stats_list.Viol_rms 0.0084
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0023
_Distance_constraint_stats_list.Viol_average_violations_only 0.0297
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 35 ARG 0.000 0.000 . 0 "[ ]"
1 85 TYR 0.000 0.000 . 0 "[ ]"
1 113 TYR 0.000 0.000 . 0 "[ ]"
2 1 THP 0.030 0.030 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 2 1 THP H3' 2 1 THP H4' 2.670 . 2.700 2.730 2.730 2.730 0.030 1 0 "[ ]" 2
2 2 1 THP H1' 2 1 THP H3' 3.840 . 5.300 3.962 3.962 3.962 . 0 0 "[ ]" 2
3 2 1 THP H1' 2 1 THP H4' 3.630 . 5.300 3.633 3.633 3.633 . 0 0 "[ ]" 2
4 2 1 THP H1' 2 1 THP H6 3.750 . 5.300 3.631 3.631 3.631 . 0 0 "[ ]" 2
5 2 1 THP H4' 2 1 THP H6 3.990 . 5.300 3.767 3.767 3.767 . 0 0 "[ ]" 2
6 2 1 THP H3' 2 1 THP H6 4.440 . 5.300 4.094 4.094 4.094 . 0 0 "[ ]" 2
7 1 85 TYR HD2 2 1 THP H1' 3.800 . 5.300 4.903 4.903 4.903 . 0 0 "[ ]" 2
8 1 85 TYR HE2 2 1 THP H1' 3.500 . 5.300 3.906 3.906 3.906 . 0 0 "[ ]" 2
9 1 85 TYR HD2 2 1 THP H4' 3.900 . 5.300 3.739 3.739 3.739 . 0 0 "[ ]" 2
10 1 85 TYR HE2 2 1 THP H4' 3.000 . 3.500 2.154 2.154 2.154 . 0 0 "[ ]" 2
11 1 113 TYR HE1 2 1 THP H3' 3.770 . 5.300 2.467 2.467 2.467 . 0 0 "[ ]" 2
12 1 113 TYR HE1 2 1 THP H1' 5.800 . 6.500 5.295 5.295 5.295 . 0 0 "[ ]" 2
13 1 35 ARG HD3 2 1 THP H6 5.500 . 6.500 6.408 6.408 6.408 . 0 0 "[ ]" 2
stop_
save_
save_distance_constraint_statistics_3
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 3
_Distance_constraint_stats_list.Constraint_count 114
_Distance_constraint_stats_list.Viol_count 11
_Distance_constraint_stats_list.Viol_total 0.160
_Distance_constraint_stats_list.Viol_max 0.041
_Distance_constraint_stats_list.Viol_rms 0.0054
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0014
_Distance_constraint_stats_list.Viol_average_violations_only 0.0146
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 10 GLU 0.000 0.000 . 0 "[ ]"
1 12 ALA 0.000 0.000 . 0 "[ ]"
1 13 THR 0.041 0.041 1 0 "[ ]"
1 16 LYS 0.000 0.000 . 0 "[ ]"
1 18 ILE 0.000 0.000 . 0 "[ ]"
1 19 ASP 0.000 0.000 . 0 "[ ]"
1 22 THR 0.000 0.000 . 0 "[ ]"
1 23 VAL 0.009 0.009 1 0 "[ ]"
1 24 LYS 0.000 0.000 . 0 "[ ]"
1 25 LEU 0.021 0.021 1 0 "[ ]"
1 26 MET 0.041 0.041 1 0 "[ ]"
1 27 TYR 0.000 0.000 . 0 "[ ]"
1 30 GLN 0.000 0.000 . 0 "[ ]"
1 32 MET 0.021 0.021 1 0 "[ ]"
1 33 THR 0.000 0.000 . 0 "[ ]"
1 34 PHE 0.009 0.009 1 0 "[ ]"
1 35 ARG 0.005 0.005 1 0 "[ ]"
1 38 LEU 0.018 0.018 1 0 "[ ]"
1 40 ASP 0.022 0.022 1 0 "[ ]"
1 57 GLU 0.000 0.000 . 0 "[ ]"
1 58 ALA 0.000 0.000 . 0 "[ ]"
1 59 SER 0.000 0.000 . 0 "[ ]"
1 60 ALA 0.000 0.000 . 0 "[ ]"
1 61 PHE 0.016 0.016 1 0 "[ ]"
1 62 THR 0.000 0.000 . 0 "[ ]"
1 63 LYS 0.000 0.000 . 0 "[ ]"
1 64 LYS 0.000 0.000 . 0 "[ ]"
1 65 MET 0.016 0.016 1 0 "[ ]"
1 66 VAL 0.000 0.000 . 0 "[ ]"
1 67 GLU 0.000 0.000 . 0 "[ ]"
1 68 ASN 0.000 0.000 . 0 "[ ]"
1 69 ALA 0.000 0.000 . 0 "[ ]"
1 72 ILE 0.000 0.000 . 0 "[ ]"
1 73 GLU 0.000 0.000 1 0 "[ ]"
1 74 VAL 0.000 0.000 . 0 "[ ]"
1 75 GLU 0.000 0.000 . 0 "[ ]"
1 79 GLY 0.000 0.000 . 0 "[ ]"
1 81 ARG 0.000 0.000 . 0 "[ ]"
1 83 ASP 0.000 0.000 . 0 "[ ]"
1 86 GLY 0.000 0.000 . 0 "[ ]"
1 87 ARG 0.000 0.000 . 0 "[ ]"
1 88 GLY 0.005 0.005 1 0 "[ ]"
1 89 LEU 0.000 0.000 . 0 "[ ]"
1 91 TYR 0.000 0.000 . 0 "[ ]"
1 92 ILE 0.000 0.000 . 0 "[ ]"
1 93 TYR 0.000 0.000 1 0 "[ ]"
1 94 ALA 0.000 0.000 . 0 "[ ]"
1 97 LYS 0.000 0.000 . 0 "[ ]"
1 98 MET 0.000 0.000 . 0 "[ ]"
1 99 VAL 0.000 0.000 . 0 "[ ]"
1 100 ASN 0.004 0.004 1 0 "[ ]"
1 101 GLU 0.000 0.000 . 0 "[ ]"
1 102 ALA 0.000 0.000 . 0 "[ ]"
1 103 LEU 0.000 0.000 . 0 "[ ]"
1 104 VAL 0.004 0.004 1 0 "[ ]"
1 105 ARG 0.000 0.000 . 0 "[ ]"
1 106 GLN 0.000 0.000 . 0 "[ ]"
1 110 LYS 0.022 0.022 1 0 "[ ]"
1 112 ALA 0.018 0.018 1 0 "[ ]"
1 118 ASN 0.000 0.000 . 0 "[ ]"
1 119 ASN 0.000 0.000 . 0 "[ ]"
1 122 GLU 0.000 0.000 . 0 "[ ]"
1 123 GLN 0.000 0.000 . 0 "[ ]"
1 124 LEU 0.010 0.010 1 0 "[ ]"
1 125 LEU 0.000 0.000 . 0 "[ ]"
1 126 ARG 0.000 0.000 . 0 "[ ]"
1 127 LYS 0.000 0.000 . 0 "[ ]"
1 128 SER 0.010 0.010 1 0 "[ ]"
1 129 GLU 0.000 0.000 . 0 "[ ]"
1 130 ALA 0.014 0.014 1 0 "[ ]"
1 131 GLN 0.000 0.000 . 0 "[ ]"
1 132 ALA 0.000 0.000 . 0 "[ ]"
1 133 LYS 0.000 0.000 . 0 "[ ]"
1 134 LYS 0.014 0.014 1 0 "[ ]"
1 135 GLU 0.000 0.000 . 0 "[ ]"
1 136 LYS 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 12 ALA H 1 72 ILE O 1.900 . 2.300 2.210 2.210 2.210 . 0 0 "[ ]" 3
2 1 13 THR O 1 26 MET H 1.900 . 2.300 2.256 2.256 2.256 . 0 0 "[ ]" 3
3 1 13 THR H 1 26 MET O 1.900 . 2.300 2.341 2.341 2.341 0.041 1 0 "[ ]" 3
4 1 23 VAL H 1 34 PHE O 1.900 . 2.300 2.309 2.309 2.309 0.009 1 0 "[ ]" 3
5 1 25 LEU H 1 32 MET O 1.900 . 2.300 2.165 2.165 2.165 . 0 0 "[ ]" 3
6 1 27 TYR H 1 30 GLN O 1.900 . 2.300 2.081 2.081 2.081 . 0 0 "[ ]" 3
7 1 27 TYR O 1 30 GLN H 1.900 . 2.300 2.098 2.098 2.098 . 0 0 "[ ]" 3
8 1 25 LEU O 1 32 MET H 1.900 . 2.300 2.321 2.321 2.321 0.021 1 0 "[ ]" 3
9 1 23 VAL O 1 34 PHE H 1.900 . 2.300 2.290 2.290 2.290 . 0 0 "[ ]" 3
10 1 35 ARG H 1 88 GLY O 1.900 . 2.300 2.305 2.305 2.305 0.005 1 0 "[ ]" 3
11 1 38 LEU O 1 112 ALA H 1.900 . 2.300 2.318 2.318 2.318 0.018 1 0 "[ ]" 3
12 1 40 ASP H 1 110 LYS O 1.900 . 2.300 2.104 2.104 2.104 . 0 0 "[ ]" 3
13 1 40 ASP O 1 110 LYS H 1.900 . 2.300 2.322 2.322 2.322 0.022 1 0 "[ ]" 3
14 1 16 LYS O 1 24 LYS H 1.900 . 2.300 2.173 2.173 2.173 . 0 0 "[ ]" 3
15 1 16 LYS H 1 24 LYS O 1.900 . 2.300 2.138 2.138 2.138 . 0 0 "[ ]" 3
16 1 81 ARG O 1 89 LEU H 1.900 . 2.300 2.100 2.100 2.100 . 0 0 "[ ]" 3
17 1 83 ASP H 1 87 ARG O 1.900 . 2.300 2.202 2.202 2.202 . 0 0 "[ ]" 3
18 1 10 GLU H 1 74 VAL O 1.900 . 2.300 2.227 2.227 2.227 . 0 0 "[ ]" 3
19 1 10 GLU O 1 74 VAL H 1.900 . 2.300 2.085 2.085 2.085 . 0 0 "[ ]" 3
20 1 73 GLU O 1 93 TYR H 1.900 . 2.300 2.100 2.100 2.100 . 0 0 "[ ]" 3
21 1 73 GLU H 1 93 TYR O 1.900 . 2.300 2.300 2.300 2.300 0.000 1 0 "[ ]" 3
22 1 75 GLU H 1 91 TYR O 1.900 . 2.300 2.248 2.248 2.248 . 0 0 "[ ]" 3
23 1 75 GLU O 1 91 TYR H 1.900 . 2.300 2.102 2.102 2.102 . 0 0 "[ ]" 3
24 1 94 ALA H 1 97 LYS O 1.900 . 2.300 2.111 2.111 2.111 . 0 0 "[ ]" 3
25 1 94 ALA O 1 97 LYS H 1.900 . 2.300 2.249 2.249 2.249 . 0 0 "[ ]" 3
26 1 92 ILE O 1 99 VAL H 1.900 . 2.300 2.105 2.105 2.105 . 0 0 "[ ]" 3
27 1 57 GLU O 1 61 PHE H 1.900 . 2.300 2.170 2.170 2.170 . 0 0 "[ ]" 3
28 1 58 ALA O 1 62 THR H 1.900 . 2.300 2.205 2.205 2.205 . 0 0 "[ ]" 3
29 1 59 SER O 1 63 LYS H 1.900 . 2.300 2.159 2.159 2.159 . 0 0 "[ ]" 3
30 1 60 ALA O 1 64 LYS H 1.900 . 2.300 2.137 2.137 2.137 . 0 0 "[ ]" 3
31 1 61 PHE O 1 65 MET H 1.900 . 2.300 2.316 2.316 2.316 0.016 1 0 "[ ]" 3
32 1 62 THR O 1 66 VAL H 1.900 . 2.300 2.224 2.224 2.224 . 0 0 "[ ]" 3
33 1 63 LYS O 1 67 GLU H 1.900 . 2.300 2.117 2.117 2.117 . 0 0 "[ ]" 3
34 1 64 LYS O 1 68 ASN H 1.900 . 2.300 2.103 2.103 2.103 . 0 0 "[ ]" 3
35 1 65 MET O 1 69 ALA H 1.900 . 2.300 2.277 2.277 2.277 . 0 0 "[ ]" 3
36 1 98 MET O 1 102 ALA H 1.900 . 2.300 2.246 2.246 2.246 . 0 0 "[ ]" 3
37 1 99 VAL O 1 103 LEU H 1.900 . 2.300 2.168 2.168 2.168 . 0 0 "[ ]" 3
38 1 100 ASN O 1 104 VAL H 1.900 . 2.300 2.304 2.304 2.304 0.004 1 0 "[ ]" 3
39 1 101 GLU O 1 105 ARG H 1.900 . 2.300 2.104 2.104 2.104 . 0 0 "[ ]" 3
40 1 102 ALA O 1 106 GLN H 1.900 . 2.300 2.146 2.146 2.146 . 0 0 "[ ]" 3
41 1 122 GLU O 1 126 ARG H 1.900 . 2.300 2.274 2.274 2.274 . 0 0 "[ ]" 3
42 1 124 LEU O 1 128 SER H 1.900 . 2.300 2.310 2.310 2.310 0.010 1 0 "[ ]" 3
43 1 123 GLN O 1 127 LYS H 1.900 . 2.300 2.266 2.266 2.266 . 0 0 "[ ]" 3
44 1 130 ALA O 1 134 LYS H 1.900 . 2.300 2.314 2.314 2.314 0.014 1 0 "[ ]" 3
45 1 131 GLN O 1 135 GLU H 1.900 . 2.300 2.135 2.135 2.135 . 0 0 "[ ]" 3
46 1 132 ALA O 1 136 LYS H 1.900 . 2.300 2.275 2.275 2.275 . 0 0 "[ ]" 3
47 1 125 LEU O 1 129 GLU H 1.900 . 2.300 2.122 2.122 2.122 . 0 0 "[ ]" 3
48 1 126 ARG O 1 130 ALA H 1.900 . 2.300 2.192 2.192 2.192 . 0 0 "[ ]" 3
49 1 127 LYS O 1 131 GLN H 1.900 . 2.300 2.288 2.288 2.288 . 0 0 "[ ]" 3
50 1 128 SER O 1 132 ALA H 1.900 . 2.300 2.110 2.110 2.110 . 0 0 "[ ]" 3
51 1 129 GLU O 1 133 LYS H 1.900 . 2.300 2.166 2.166 2.166 . 0 0 "[ ]" 3
52 1 33 THR O 1 88 GLY H 1.900 . 2.300 2.082 2.082 2.082 . 0 0 "[ ]" 3
53 1 83 ASP O 1 86 GLY H 1.900 . 2.300 2.284 2.284 2.284 . 0 0 "[ ]" 3
54 1 119 ASN O 1 122 GLU H 1.900 . 2.300 2.191 2.191 2.191 . 0 0 "[ ]" 3
55 1 18 ILE H 1 22 THR O 1.900 . 2.300 2.128 2.128 2.128 . 0 0 "[ ]" 3
56 1 19 ASP H 1 22 THR O 1.900 . 2.300 2.128 2.128 2.128 . 0 0 "[ ]" 3
57 1 79 GLY H 1 118 ASN OD1 1.900 . 2.300 2.185 2.185 2.185 . 0 0 "[ ]" 3
58 1 12 ALA N 1 72 ILE O 2.900 2.400 3.300 2.753 2.753 2.753 . 0 0 "[ ]" 3
59 1 13 THR O 1 26 MET N 2.900 2.400 3.300 2.641 2.641 2.641 . 0 0 "[ ]" 3
60 1 13 THR N 1 26 MET O 2.900 2.400 3.300 3.156 3.156 3.156 . 0 0 "[ ]" 3
61 1 23 VAL N 1 34 PHE O 2.900 2.400 3.300 3.272 3.272 3.272 . 0 0 "[ ]" 3
62 1 25 LEU N 1 32 MET O 2.900 2.400 3.300 2.907 2.907 2.907 . 0 0 "[ ]" 3
63 1 27 TYR N 1 30 GLN O 2.900 2.400 3.300 2.919 2.919 2.919 . 0 0 "[ ]" 3
64 1 27 TYR O 1 30 GLN N 2.900 2.400 3.300 3.026 3.026 3.026 . 0 0 "[ ]" 3
65 1 25 LEU O 1 32 MET N 2.900 2.400 3.300 3.233 3.233 3.233 . 0 0 "[ ]" 3
66 1 23 VAL O 1 34 PHE N 2.900 2.400 3.300 3.157 3.157 3.157 . 0 0 "[ ]" 3
67 1 35 ARG N 1 88 GLY O 2.900 2.400 3.300 3.247 3.247 3.247 . 0 0 "[ ]" 3
68 1 38 LEU O 1 112 ALA N 2.900 2.400 3.300 3.197 3.197 3.197 . 0 0 "[ ]" 3
69 1 40 ASP N 1 110 LYS O 2.900 2.400 3.300 2.828 2.828 2.828 . 0 0 "[ ]" 3
70 1 40 ASP O 1 110 LYS N 2.900 2.400 3.300 3.063 3.063 3.063 . 0 0 "[ ]" 3
71 1 16 LYS O 1 24 LYS N 2.900 2.400 3.300 3.081 3.081 3.081 . 0 0 "[ ]" 3
72 1 16 LYS N 1 24 LYS O 2.900 2.400 3.300 3.082 3.082 3.082 . 0 0 "[ ]" 3
73 1 81 ARG O 1 89 LEU N 2.900 2.400 3.300 3.070 3.070 3.070 . 0 0 "[ ]" 3
74 1 83 ASP N 1 87 ARG O 2.900 2.400 3.300 3.096 3.096 3.096 . 0 0 "[ ]" 3
75 1 10 GLU N 1 74 VAL O 2.900 2.400 3.300 3.158 3.158 3.158 . 0 0 "[ ]" 3
76 1 10 GLU O 1 74 VAL N 2.900 2.400 3.300 3.014 3.014 3.014 . 0 0 "[ ]" 3
77 1 73 GLU O 1 93 TYR N 2.900 2.400 3.300 3.018 3.018 3.018 . 0 0 "[ ]" 3
78 1 73 GLU N 1 93 TYR O 2.900 2.400 3.300 3.224 3.224 3.224 . 0 0 "[ ]" 3
79 1 75 GLU N 1 91 TYR O 2.900 2.400 3.300 2.907 2.907 2.907 . 0 0 "[ ]" 3
80 1 75 GLU O 1 91 TYR N 2.900 2.400 3.300 2.950 2.950 2.950 . 0 0 "[ ]" 3
81 1 94 ALA N 1 97 LYS O 2.900 2.400 3.300 2.829 2.829 2.829 . 0 0 "[ ]" 3
82 1 94 ALA O 1 97 LYS N 2.900 2.400 3.300 3.055 3.055 3.055 . 0 0 "[ ]" 3
83 1 92 ILE O 1 99 VAL N 2.900 2.400 3.300 2.960 2.960 2.960 . 0 0 "[ ]" 3
84 1 57 GLU O 1 61 PHE N 2.900 2.400 3.300 3.013 3.013 3.013 . 0 0 "[ ]" 3
85 1 58 ALA O 1 62 THR N 2.900 2.400 3.300 3.151 3.151 3.151 . 0 0 "[ ]" 3
86 1 59 SER O 1 63 LYS N 2.900 2.400 3.300 2.989 2.989 2.989 . 0 0 "[ ]" 3
87 1 60 ALA O 1 64 LYS N 2.900 2.400 3.300 3.004 3.004 3.004 . 0 0 "[ ]" 3
88 1 61 PHE O 1 65 MET N 2.900 2.400 3.300 3.149 3.149 3.149 . 0 0 "[ ]" 3
89 1 62 THR O 1 66 VAL N 2.900 2.400 3.300 3.103 3.103 3.103 . 0 0 "[ ]" 3
90 1 63 LYS O 1 67 GLU N 2.900 2.400 3.300 2.905 2.905 2.905 . 0 0 "[ ]" 3
91 1 64 LYS O 1 68 ASN N 2.900 2.400 3.300 2.896 2.896 2.896 . 0 0 "[ ]" 3
92 1 65 MET O 1 69 ALA N 2.900 2.400 3.300 3.026 3.026 3.026 . 0 0 "[ ]" 3
93 1 98 MET O 1 102 ALA N 2.900 2.400 3.300 3.136 3.136 3.136 . 0 0 "[ ]" 3
94 1 99 VAL O 1 103 LEU N 2.900 2.400 3.300 3.096 3.096 3.096 . 0 0 "[ ]" 3
95 1 100 ASN O 1 104 VAL N 2.900 2.400 3.300 3.279 3.279 3.279 . 0 0 "[ ]" 3
96 1 101 GLU O 1 105 ARG N 2.900 2.400 3.300 2.845 2.845 2.845 . 0 0 "[ ]" 3
97 1 102 ALA O 1 106 GLN N 2.900 2.400 3.300 3.022 3.022 3.022 . 0 0 "[ ]" 3
98 1 122 GLU O 1 126 ARG N 2.900 2.400 3.300 2.920 2.920 2.920 . 0 0 "[ ]" 3
99 1 124 LEU O 1 128 SER N 2.900 2.400 3.300 3.172 3.172 3.172 . 0 0 "[ ]" 3
100 1 123 GLN O 1 127 LYS N 2.900 2.400 3.300 3.196 3.196 3.196 . 0 0 "[ ]" 3
101 1 130 ALA O 1 134 LYS N 2.900 2.400 3.300 3.272 3.272 3.272 . 0 0 "[ ]" 3
102 1 131 GLN O 1 135 GLU N 2.900 2.400 3.300 2.877 2.877 2.877 . 0 0 "[ ]" 3
103 1 132 ALA O 1 136 LYS N 2.900 2.400 3.300 2.861 2.861 2.861 . 0 0 "[ ]" 3
104 1 125 LEU O 1 129 GLU N 2.900 2.400 3.300 3.055 3.055 3.055 . 0 0 "[ ]" 3
105 1 126 ARG O 1 130 ALA N 2.900 2.400 3.300 3.145 3.145 3.145 . 0 0 "[ ]" 3
106 1 127 LYS O 1 131 GLN N 2.900 2.400 3.300 3.173 3.173 3.173 . 0 0 "[ ]" 3
107 1 128 SER O 1 132 ALA N 2.900 2.400 3.300 3.017 3.017 3.017 . 0 0 "[ ]" 3
108 1 129 GLU O 1 133 LYS N 2.900 2.400 3.300 3.047 3.047 3.047 . 0 0 "[ ]" 3
109 1 33 THR O 1 88 GLY N 2.900 2.400 3.300 3.042 3.042 3.042 . 0 0 "[ ]" 3
110 1 83 ASP O 1 86 GLY N 2.900 2.400 3.300 3.226 3.226 3.226 . 0 0 "[ ]" 3
111 1 119 ASN O 1 122 GLU N 2.900 2.400 3.300 3.067 3.067 3.067 . 0 0 "[ ]" 3
112 1 18 ILE N 1 22 THR O 2.900 2.400 3.300 3.060 3.060 3.060 . 0 0 "[ ]" 3
113 1 19 ASP N 1 22 THR O 2.900 2.400 3.300 3.028 3.028 3.028 . 0 0 "[ ]" 3
114 1 79 GLY N 1 118 ASN OD1 2.900 2.400 3.300 2.759 2.759 2.759 . 0 0 "[ ]" 3
stop_
save_
save_distance_constraint_statistics_4
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 4
_Distance_constraint_stats_list.Constraint_count 1
_Distance_constraint_stats_list.Viol_count 0
_Distance_constraint_stats_list.Viol_total 0.000
_Distance_constraint_stats_list.Viol_max 0.000
_Distance_constraint_stats_list.Viol_rms .
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0000
_Distance_constraint_stats_list.Viol_average_violations_only 0.0000
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 87 ARG 0.000 0.000 . 0 "[ ]"
2 1 THP 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 87 ARG NH2 2 1 THP O5' 2.900 2.400 3.300 3.009 3.009 3.009 . 0 0 "[ ]" 4
stop_
save_
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