Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
548366 | 2lt7 RC | 18462 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2lt7
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 1414
_Distance_constraint_stats_list.Viol_count 25
_Distance_constraint_stats_list.Viol_total 29.896
_Distance_constraint_stats_list.Viol_max 0.147
_Distance_constraint_stats_list.Viol_rms 0.0022
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0001
_Distance_constraint_stats_list.Viol_average_violations_only 0.0598
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 2 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 3 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 4 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 6 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 7 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 8 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 9 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
1 11 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 12 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
1 13 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 14 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 15 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 16 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 17 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 18 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 19 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 20 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 21 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 22 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 23 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 24 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 25 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 26 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 27 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 28 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 29 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 30 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 31 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 32 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 33 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 34 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 35 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 36 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 37 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 38 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 39 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 40 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 41 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
1 42 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 43 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 44 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 45 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
1 46 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 47 TRP 0.000 0.000 . 0 "[ . 1 . 2]"
1 48 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 49 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 50 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 51 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 52 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 53 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 54 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 55 TYR 0.113 0.113 15 0 "[ . 1 . 2]"
1 56 CYS 0.891 0.134 1 0 "[ . 1 . 2]"
1 57 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 58 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 59 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 60 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 61 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 62 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 63 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 64 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 65 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 66 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 67 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 68 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 69 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
1 70 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 71 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 72 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
1 73 HIS 0.891 0.134 1 0 "[ . 1 . 2]"
1 74 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 75 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 76 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 77 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 78 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 79 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 80 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 81 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 82 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 83 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 84 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 86 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 87 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 88 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 89 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 90 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 91 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 92 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 93 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 94 MET 0.000 0.000 . 0 "[ . 1 . 2]"
1 95 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 96 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 97 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
1 98 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 99 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 100 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 101 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 102 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
1 103 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 104 GLN 0.011 0.011 1 0 "[ . 1 . 2]"
1 105 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 106 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 107 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 108 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 109 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 110 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 111 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 112 LEU 0.011 0.011 1 0 "[ . 1 . 2]"
1 113 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 114 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 115 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 116 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
1 117 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 118 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 119 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 120 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 121 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 122 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 123 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 124 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 125 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 126 TYR 0.289 0.147 20 0 "[ . 1 . 2]"
1 127 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 128 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 129 LEU 0.289 0.147 20 0 "[ . 1 . 2]"
1 130 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 131 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 132 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 133 SER 0.000 0.000 . 0 "[ . 1 . 2]"
2 1 DG 0.000 0.000 . 0 "[ . 1 . 2]"
2 2 DT 0.000 0.000 . 0 "[ . 1 . 2]"
2 3 DG 0.000 0.000 . 0 "[ . 1 . 2]"
2 4 DC 0.000 0.000 . 0 "[ . 1 . 2]"
2 5 DT 0.000 0.000 . 0 "[ . 1 . 2]"
2 6 DT 0.000 0.000 . 0 "[ . 1 . 2]"
2 7 DC 0.000 0.000 . 0 "[ . 1 . 2]"
2 8 DC 0.012 0.012 18 0 "[ . 1 . 2]"
2 9 DT 0.117 0.044 4 0 "[ . 1 . 2]"
2 10 DG 0.000 0.000 . 0 "[ . 1 . 2]"
2 11 DC 0.000 0.000 . 0 "[ . 1 . 2]"
2 12 DC 0.000 0.000 . 0 "[ . 1 . 2]"
2 13 DA 0.000 0.000 . 0 "[ . 1 . 2]"
2 14 DA 0.000 0.000 . 0 "[ . 1 . 2]"
2 15 DT 0.000 0.000 . 0 "[ . 1 . 2]"
2 16 DA 0.048 0.048 2 0 "[ . 1 . 2]"
2 17 DA 0.013 0.012 2 0 "[ . 1 . 2]"
2 18 DC 0.000 0.000 . 0 "[ . 1 . 2]"
2 19 DG 0.001 0.001 2 0 "[ . 1 . 2]"
3 1 DC 0.001 0.001 2 0 "[ . 1 . 2]"
3 2 DG 0.000 0.000 . 0 "[ . 1 . 2]"
3 3 DT 0.013 0.012 2 0 "[ . 1 . 2]"
3 4 DT 0.048 0.048 2 0 "[ . 1 . 2]"
3 5 DA 0.000 0.000 . 0 "[ . 1 . 2]"
3 6 DT 0.000 0.000 . 0 "[ . 1 . 2]"
3 7 DT 0.000 0.000 . 0 "[ . 1 . 2]"
3 8 DG 0.000 0.000 . 0 "[ . 1 . 2]"
3 9 DG 0.000 0.000 . 0 "[ . 1 . 2]"
3 10 DC 0.000 0.000 . 0 "[ . 1 . 2]"
3 11 DA 0.117 0.044 4 0 "[ . 1 . 2]"
3 12 DG 0.012 0.012 18 0 "[ . 1 . 2]"
3 13 DG 0.000 0.000 . 0 "[ . 1 . 2]"
3 14 DA 0.000 0.000 . 0 "[ . 1 . 2]"
3 15 DA 0.000 0.000 . 0 "[ . 1 . 2]"
3 16 DG 0.000 0.000 . 0 "[ . 1 . 2]"
3 17 DC 0.000 0.000 . 0 "[ . 1 . 2]"
3 18 DA 0.000 0.000 . 0 "[ . 1 . 2]"
3 19 DC 0.000 0.000 . 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 2 ASN HB2 1 2 ASN HD22 4.000 . 4.500 3.802 3.512 4.083 . 0 0 "[ . 1 . 2]" 1
2 1 2 ASN HB2 1 3 LYS H 4.950 . 5.450 3.657 2.353 4.257 . 0 0 "[ . 1 . 2]" 1
3 1 2 ASN HB3 1 2 ASN HD22 3.930 . 4.430 3.712 3.460 4.048 . 0 0 "[ . 1 . 2]" 1
4 1 2 ASN HB3 1 3 LYS H 4.940 . 5.440 3.096 2.665 4.169 . 0 0 "[ . 1 . 2]" 1
5 1 4 ARG HA 2 17 DA H3' 6.000 . 6.500 5.798 4.134 6.152 . 0 0 "[ . 1 . 2]" 1
6 1 4 ARG HA 2 17 DA H5' 6.000 . 6.500 5.059 2.663 6.093 . 0 0 "[ . 1 . 2]" 1
7 1 4 ARG HA 2 17 DA H5'' 6.000 . 6.500 4.555 2.545 5.594 . 0 0 "[ . 1 . 2]" 1
8 1 4 ARG QD 2 17 DA H3' 6.730 . 7.230 4.031 2.082 5.867 . 0 0 "[ . 1 . 2]" 1
9 1 4 ARG QD 2 17 DA H4' 6.170 . 6.670 3.698 2.242 5.153 . 0 0 "[ . 1 . 2]" 1
10 1 4 ARG QD 2 17 DA H5' 6.170 . 6.670 4.318 2.057 5.506 . 0 0 "[ . 1 . 2]" 1
11 1 4 ARG QD 2 17 DA H5'' 6.170 . 6.670 3.394 2.061 5.281 . 0 0 "[ . 1 . 2]" 1
12 1 4 ARG HG3 2 17 DA H1' 6.000 . 6.500 5.538 3.203 6.110 . 0 0 "[ . 1 . 2]" 1
13 1 4 ARG HG3 2 17 DA H4' 5.500 . 6.000 3.008 2.143 3.681 . 0 0 "[ . 1 . 2]" 1
14 1 4 ARG HG3 2 17 DA H5' 5.500 . 6.000 4.000 2.055 5.499 . 0 0 "[ . 1 . 2]" 1
15 1 4 ARG HG3 2 17 DA H5'' 5.500 . 6.000 3.188 2.053 4.727 . 0 0 "[ . 1 . 2]" 1
16 1 6 LYS HA 3 4 DT H1' 6.000 . 6.500 5.864 4.934 6.152 . 0 0 "[ . 1 . 2]" 1
17 1 6 LYS HA 3 5 DA H5' 5.500 . 6.000 3.567 2.382 4.896 . 0 0 "[ . 1 . 2]" 1
18 1 6 LYS HA 3 5 DA H5'' 5.500 . 6.000 3.732 2.644 5.534 . 0 0 "[ . 1 . 2]" 1
19 1 6 LYS HB2 3 5 DA H5'' 6.000 . 6.500 5.150 3.205 6.017 . 0 0 "[ . 1 . 2]" 1
20 1 6 LYS QD 2 17 DA H3' 6.730 . 7.230 5.640 4.579 6.101 . 0 0 "[ . 1 . 2]" 1
21 1 6 LYS QD 2 17 DA H5' 6.730 . 7.230 5.411 4.214 6.044 . 0 0 "[ . 1 . 2]" 1
22 1 6 LYS QD 2 17 DA H5'' 6.730 . 7.230 5.749 4.844 6.036 . 0 0 "[ . 1 . 2]" 1
23 1 6 LYS QE 2 17 DA H1' 6.730 . 7.230 2.572 1.873 5.161 . 0 0 "[ . 1 . 2]" 1
24 1 6 LYS QE 2 17 DA H3' 6.730 . 7.230 4.869 3.990 5.777 . 0 0 "[ . 1 . 2]" 1
25 1 6 LYS QE 2 17 DA H5' 6.170 . 6.670 4.680 2.775 5.570 . 0 0 "[ . 1 . 2]" 1
26 1 6 LYS QE 2 17 DA H5'' 6.170 . 6.670 5.117 3.750 5.530 . 0 0 "[ . 1 . 2]" 1
27 1 7 VAL H 1 7 VAL MG1 3.660 . 4.160 2.731 2.183 3.107 . 0 0 "[ . 1 . 2]" 1
28 1 7 VAL HA 1 8 LYS H 3.590 . 4.090 2.331 2.186 2.527 . 0 0 "[ . 1 . 2]" 1
29 1 7 VAL MG2 1 9 HIS HD2 5.540 . 6.040 4.119 2.612 4.653 . 0 0 "[ . 1 . 2]" 1
30 1 7 VAL MG2 1 9 HIS HE1 5.670 . 6.170 3.662 2.587 4.753 . 0 0 "[ . 1 . 2]" 1
31 1 8 LYS HA 1 9 HIS HD2 5.000 . 5.500 4.015 2.984 5.083 . 0 0 "[ . 1 . 2]" 1
32 1 11 ASP H 1 26 ILE MD 5.820 . 6.320 4.607 4.432 4.843 . 0 0 "[ . 1 . 2]" 1
33 1 11 ASP H 1 26 ILE MG 5.460 . 5.960 4.578 4.494 4.623 . 0 0 "[ . 1 . 2]" 1
34 1 11 ASP HA 1 26 ILE MD 5.610 . 6.110 2.254 2.087 2.401 . 0 0 "[ . 1 . 2]" 1
35 1 11 ASP HA 1 26 ILE MG 5.270 . 5.770 3.145 3.029 3.337 . 0 0 "[ . 1 . 2]" 1
36 1 11 ASP HA 1 42 PHE QE 5.610 . 6.110 4.074 3.609 4.794 . 0 0 "[ . 1 . 2]" 1
37 1 12 HIS H 1 26 ILE MD 5.390 . 5.890 4.057 3.812 4.315 . 0 0 "[ . 1 . 2]" 1
38 1 12 HIS H 1 26 ILE MG 4.950 . 5.450 2.934 2.772 3.214 . 0 0 "[ . 1 . 2]" 1
39 1 12 HIS HA 1 13 TYR H 2.700 . 3.200 2.530 2.449 2.573 . 0 0 "[ . 1 . 2]" 1
40 1 12 HIS HA 1 26 ILE HB 4.940 . 5.440 4.949 4.866 4.984 . 0 0 "[ . 1 . 2]" 1
41 1 12 HIS HA 1 26 ILE MD 5.400 . 5.900 4.443 4.263 4.515 . 0 0 "[ . 1 . 2]" 1
42 1 12 HIS HA 1 26 ILE MG 4.420 . 4.920 2.149 2.048 2.259 . 0 0 "[ . 1 . 2]" 1
43 1 12 HIS HA 1 38 LEU MD1 5.100 . 5.600 3.787 3.371 4.003 . 0 0 "[ . 1 . 2]" 1
44 1 12 HIS HA 1 38 LEU MD2 5.100 . 5.600 4.110 4.007 4.174 . 0 0 "[ . 1 . 2]" 1
45 1 12 HIS HB3 1 38 LEU MD1 3.690 . 4.190 2.574 2.164 3.118 . 0 0 "[ . 1 . 2]" 1
46 1 12 HIS HB3 1 38 LEU MD2 3.490 . 3.990 2.024 1.981 2.081 . 0 0 "[ . 1 . 2]" 1
47 1 12 HIS HD2 1 14 GLU HG2 4.400 . 4.900 4.112 3.782 4.468 . 0 0 "[ . 1 . 2]" 1
48 1 12 HIS HD2 1 14 GLU HG3 5.000 . 5.500 2.861 2.362 3.228 . 0 0 "[ . 1 . 2]" 1
49 1 12 HIS HD2 1 38 LEU MD1 5.700 . 6.200 4.654 4.369 4.764 . 0 0 "[ . 1 . 2]" 1
50 1 12 HIS HD2 1 38 LEU MD2 4.800 . 5.300 3.709 3.331 3.970 . 0 0 "[ . 1 . 2]" 1
51 1 12 HIS HE1 1 35 LEU MD1 5.400 . 5.900 4.220 3.619 4.514 . 0 0 "[ . 1 . 2]" 1
52 1 12 HIS HE1 1 35 LEU MD2 4.240 . 4.740 3.340 3.033 3.543 . 0 0 "[ . 1 . 2]" 1
53 1 13 TYR H 1 13 TYR QD 4.340 . 4.840 3.136 3.025 3.257 . 0 0 "[ . 1 . 2]" 1
54 1 13 TYR H 1 24 ILE H 4.400 . 4.900 2.724 2.630 2.885 . 0 0 "[ . 1 . 2]" 1
55 1 13 TYR H 1 24 ILE HB 4.610 . 5.110 3.272 3.163 3.362 . 0 0 "[ . 1 . 2]" 1
56 1 13 TYR H 1 25 CYS HA 4.520 . 5.020 4.344 4.250 4.446 . 0 0 "[ . 1 . 2]" 1
57 1 13 TYR HA 1 14 GLU H 2.700 . 3.200 2.373 2.334 2.409 . 0 0 "[ . 1 . 2]" 1
58 1 13 TYR HB2 1 14 GLU H 3.000 . 3.500 2.581 2.502 2.664 . 0 0 "[ . 1 . 2]" 1
59 1 13 TYR HB3 1 14 GLU H 4.000 . 4.500 3.880 3.825 3.937 . 0 0 "[ . 1 . 2]" 1
60 1 13 TYR QD 1 15 LEU HB2 5.610 . 6.110 3.067 2.951 3.262 . 0 0 "[ . 1 . 2]" 1
61 1 13 TYR QD 1 15 LEU HB3 5.890 . 6.390 4.594 4.454 4.823 . 0 0 "[ . 1 . 2]" 1
62 1 13 TYR QD 1 15 LEU MD1 5.470 . 5.970 3.726 3.650 3.821 . 0 0 "[ . 1 . 2]" 1
63 1 13 TYR QD 1 15 LEU MD2 6.280 . 6.780 4.691 4.678 4.710 . 0 0 "[ . 1 . 2]" 1
64 1 13 TYR QD 1 24 ILE HB 4.490 . 4.990 3.254 3.229 3.282 . 0 0 "[ . 1 . 2]" 1
65 1 13 TYR QD 1 24 ILE MD 5.370 . 5.870 3.690 3.490 3.826 . 0 0 "[ . 1 . 2]" 1
66 1 13 TYR QD 1 24 ILE MG 4.870 . 5.370 3.621 3.588 3.635 . 0 0 "[ . 1 . 2]" 1
67 1 13 TYR QD 1 26 ILE HA 5.050 . 5.550 3.027 2.748 3.187 . 0 0 "[ . 1 . 2]" 1
68 1 13 TYR QD 1 26 ILE MG 5.230 . 5.730 2.502 2.331 2.703 . 0 0 "[ . 1 . 2]" 1
69 1 13 TYR QE 1 15 LEU HB2 5.610 . 6.110 2.788 2.430 3.226 . 0 0 "[ . 1 . 2]" 1
70 1 13 TYR QE 1 15 LEU HB3 5.890 . 6.390 4.274 3.981 4.663 . 0 0 "[ . 1 . 2]" 1
71 1 13 TYR QE 1 15 LEU MD1 5.060 . 5.560 2.746 2.518 3.071 . 0 0 "[ . 1 . 2]" 1
72 1 13 TYR QE 1 15 LEU MD2 6.070 . 6.570 3.234 3.101 3.383 . 0 0 "[ . 1 . 2]" 1
73 1 13 TYR QE 1 24 ILE MD 4.640 . 5.140 2.280 2.200 2.350 . 0 0 "[ . 1 . 2]" 1
74 1 13 TYR QE 1 24 ILE HG12 5.380 . 5.880 4.834 4.816 4.847 . 0 0 "[ . 1 . 2]" 1
75 1 13 TYR QE 1 24 ILE HG13 4.520 . 5.020 3.875 3.723 4.027 . 0 0 "[ . 1 . 2]" 1
76 1 13 TYR QE 1 24 ILE MG 4.960 . 5.460 2.621 2.585 2.655 . 0 0 "[ . 1 . 2]" 1
77 1 13 TYR QE 1 26 ILE HA 4.660 . 5.160 3.095 2.816 3.419 . 0 0 "[ . 1 . 2]" 1
78 1 13 TYR QE 1 26 ILE MG 6.070 . 6.570 4.038 3.802 4.323 . 0 0 "[ . 1 . 2]" 1
79 1 14 GLU HA 1 15 LEU H 2.700 . 3.200 2.170 2.128 2.219 . 0 0 "[ . 1 . 2]" 1
80 1 14 GLU HA 1 21 VAL MG1 4.650 . 5.150 3.536 3.223 3.830 . 0 0 "[ . 1 . 2]" 1
81 1 14 GLU HA 1 24 ILE H 3.500 . 4.000 3.483 3.286 3.564 . 0 0 "[ . 1 . 2]" 1
82 1 14 GLU HB2 1 15 LEU H 4.530 . 5.030 4.298 4.102 4.442 . 0 0 "[ . 1 . 2]" 1
83 1 14 GLU HB2 1 21 VAL MG1 5.840 . 6.340 3.980 3.628 4.177 . 0 0 "[ . 1 . 2]" 1
84 1 14 GLU HB3 1 15 LEU H 4.210 . 4.710 3.250 2.999 3.546 . 0 0 "[ . 1 . 2]" 1
85 1 14 GLU HB3 1 21 VAL MG1 3.700 . 4.200 2.533 2.173 2.750 . 0 0 "[ . 1 . 2]" 1
86 1 14 GLU HB3 1 21 VAL MG2 5.040 . 5.540 4.097 3.863 4.210 . 0 0 "[ . 1 . 2]" 1
87 1 14 GLU HG2 1 21 VAL MG1 5.500 . 6.000 2.574 2.297 3.121 . 0 0 "[ . 1 . 2]" 1
88 1 14 GLU HG2 1 23 TYR QE 4.280 . 4.780 2.904 2.665 3.255 . 0 0 "[ . 1 . 2]" 1
89 1 14 GLU HG3 1 21 VAL MG1 4.680 . 5.180 3.759 3.086 3.926 . 0 0 "[ . 1 . 2]" 1
90 1 14 GLU HG3 1 23 TYR QE 4.980 . 5.480 3.741 3.225 4.079 . 0 0 "[ . 1 . 2]" 1
91 1 15 LEU H 1 22 TYR QB 4.510 . 5.010 3.235 3.106 3.334 . 0 0 "[ . 1 . 2]" 1
92 1 15 LEU HA 1 16 ILE H 2.700 . 3.200 2.183 2.178 2.192 . 0 0 "[ . 1 . 2]" 1
93 1 15 LEU HB2 1 16 ILE H 4.600 . 5.100 4.482 4.458 4.515 . 0 0 "[ . 1 . 2]" 1
94 1 15 LEU HB2 1 17 VAL MG2 5.880 . 6.380 4.532 4.449 4.656 . 0 0 "[ . 1 . 2]" 1
95 1 15 LEU HB2 1 22 TYR QB 4.740 . 5.240 4.010 3.930 4.070 . 0 0 "[ . 1 . 2]" 1
96 1 15 LEU HB2 1 24 ILE MD 4.500 . 5.000 2.548 2.388 2.730 . 0 0 "[ . 1 . 2]" 1
97 1 15 LEU HB3 1 16 ILE H 4.500 . 5.000 4.354 4.309 4.396 . 0 0 "[ . 1 . 2]" 1
98 1 15 LEU HB3 1 17 VAL MG2 4.860 . 5.360 3.460 3.337 3.582 . 0 0 "[ . 1 . 2]" 1
99 1 15 LEU HB3 1 24 ILE MD 4.840 . 5.340 2.497 2.311 2.688 . 0 0 "[ . 1 . 2]" 1
100 1 15 LEU MD1 1 22 TYR QB 6.520 . 7.020 4.878 4.848 4.891 . 0 0 "[ . 1 . 2]" 1
101 1 15 LEU MD1 1 24 ILE MD 4.630 . 5.130 3.241 3.233 3.249 . 0 0 "[ . 1 . 2]" 1
102 1 15 LEU MD2 1 22 TYR QB 5.030 . 5.530 3.272 3.120 3.379 . 0 0 "[ . 1 . 2]" 1
103 1 15 LEU MD2 1 22 TYR QD 4.380 . 4.880 2.864 2.814 2.910 . 0 0 "[ . 1 . 2]" 1
104 1 15 LEU MD2 1 22 TYR QE 5.850 . 6.350 4.351 4.325 4.370 . 0 0 "[ . 1 . 2]" 1
105 1 15 LEU MD2 1 24 ILE MD 5.290 . 5.790 1.985 1.942 2.049 . 0 0 "[ . 1 . 2]" 1
106 1 15 LEU HG 1 17 VAL MG2 4.520 . 5.020 2.351 2.285 2.470 . 0 0 "[ . 1 . 2]" 1
107 1 15 LEU HG 1 24 ILE MD 5.340 . 5.840 4.021 3.916 4.148 . 0 0 "[ . 1 . 2]" 1
108 1 16 ILE HA 1 17 VAL H 2.700 . 3.200 2.135 2.129 2.140 . 0 0 "[ . 1 . 2]" 1
109 1 16 ILE HA 1 21 VAL HA 3.560 . 4.060 2.401 2.306 2.444 . 0 0 "[ . 1 . 2]" 1
110 1 16 ILE HA 1 21 VAL MG1 5.640 . 6.140 4.090 3.869 4.212 . 0 0 "[ . 1 . 2]" 1
111 1 16 ILE HA 1 21 VAL MG2 4.620 . 5.120 3.721 3.696 3.743 . 0 0 "[ . 1 . 2]" 1
112 1 16 ILE HA 1 22 TYR H 3.500 . 4.000 3.043 2.932 3.132 . 0 0 "[ . 1 . 2]" 1
113 1 16 ILE MD 1 16 ILE MG 3.320 . 3.820 2.074 2.071 2.077 . 0 0 "[ . 1 . 2]" 1
114 1 16 ILE MD 1 21 VAL HA 4.900 . 5.400 4.114 4.109 4.122 . 0 0 "[ . 1 . 2]" 1
115 1 16 ILE MD 1 21 VAL MG2 4.960 . 5.460 2.641 2.613 2.673 . 0 0 "[ . 1 . 2]" 1
116 1 16 ILE HG12 1 21 VAL HA 4.140 . 4.640 2.552 2.537 2.572 . 0 0 "[ . 1 . 2]" 1
117 1 16 ILE HG12 1 21 VAL MG1 4.670 . 5.170 3.278 3.051 3.415 . 0 0 "[ . 1 . 2]" 1
118 1 16 ILE HG12 1 21 VAL MG2 3.630 . 4.130 2.150 2.123 2.168 . 0 0 "[ . 1 . 2]" 1
119 1 16 ILE HG13 1 21 VAL HA 4.040 . 4.540 3.857 3.817 3.920 . 0 0 "[ . 1 . 2]" 1
120 1 16 ILE HG13 1 21 VAL MG1 5.220 . 5.720 3.844 3.572 4.026 . 0 0 "[ . 1 . 2]" 1
121 1 16 ILE HG13 1 21 VAL MG2 4.020 . 4.520 3.369 3.364 3.376 . 0 0 "[ . 1 . 2]" 1
122 1 16 ILE MG 1 21 VAL HA 4.200 . 4.700 3.518 3.510 3.527 . 0 0 "[ . 1 . 2]" 1
123 1 17 VAL H 1 20 ARG H 3.550 . 4.050 3.229 2.996 3.552 . 0 0 "[ . 1 . 2]" 1
124 1 17 VAL H 1 21 VAL HA 4.000 . 4.500 3.692 3.589 3.743 . 0 0 "[ . 1 . 2]" 1
125 1 17 VAL H 1 22 TYR QD 5.070 . 5.570 4.499 4.360 4.531 . 0 0 "[ . 1 . 2]" 1
126 1 17 VAL H 1 22 TYR QE 5.470 . 5.970 4.756 4.628 4.800 . 0 0 "[ . 1 . 2]" 1
127 1 17 VAL HA 1 18 ASP H 3.500 . 4.000 2.175 2.163 2.184 . 0 0 "[ . 1 . 2]" 1
128 1 17 VAL HB 1 20 ARG QB 4.790 . 5.290 3.929 3.689 4.024 . 0 0 "[ . 1 . 2]" 1
129 1 17 VAL HB 1 22 TYR QD 4.930 . 5.430 3.547 3.452 3.591 . 0 0 "[ . 1 . 2]" 1
130 1 17 VAL HB 1 22 TYR QE 4.280 . 4.780 2.904 2.750 2.980 . 0 0 "[ . 1 . 2]" 1
131 1 17 VAL MG1 1 18 ASP HB2 4.260 . 4.760 2.805 2.756 2.896 . 0 0 "[ . 1 . 2]" 1
132 1 17 VAL MG1 1 18 ASP HB3 3.890 . 4.390 3.227 3.173 3.247 . 0 0 "[ . 1 . 2]" 1
133 1 17 VAL MG1 1 20 ARG QB 6.560 . 7.060 4.735 4.498 4.857 . 0 0 "[ . 1 . 2]" 1
134 1 17 VAL MG1 1 22 TYR QD 5.450 . 5.950 4.055 4.049 4.061 . 0 0 "[ . 1 . 2]" 1
135 1 17 VAL MG1 1 22 TYR QE 5.370 . 5.870 2.706 2.644 2.770 . 0 0 "[ . 1 . 2]" 1
136 1 17 VAL MG2 1 20 ARG QB 6.700 . 7.200 4.943 4.782 4.998 . 0 0 "[ . 1 . 2]" 1
137 1 17 VAL MG2 1 22 TYR QD 5.880 . 6.380 2.666 2.624 2.700 . 0 0 "[ . 1 . 2]" 1
138 1 17 VAL MG2 1 22 TYR QE 4.960 . 5.460 2.791 2.678 2.891 . 0 0 "[ . 1 . 2]" 1
139 1 18 ASP H 1 19 GLY H 3.250 . 3.750 2.897 2.861 2.946 . 0 0 "[ . 1 . 2]" 1
140 1 18 ASP HA 1 19 GLY H 3.400 . 3.900 2.880 2.825 2.924 . 0 0 "[ . 1 . 2]" 1
141 1 19 GLY H 1 20 ARG H 3.000 . 3.500 2.837 2.686 3.027 . 0 0 "[ . 1 . 2]" 1
142 1 19 GLY HA2 1 20 ARG H 3.560 . 4.060 3.412 3.295 3.540 . 0 0 "[ . 1 . 2]" 1
143 1 19 GLY HA3 1 20 ARG H 3.630 . 4.130 3.244 3.046 3.386 . 0 0 "[ . 1 . 2]" 1
144 1 20 ARG H 1 20 ARG QB 3.380 . 3.880 2.661 2.483 2.792 . 0 0 "[ . 1 . 2]" 1
145 1 20 ARG H 1 20 ARG QD 4.960 . 5.460 4.106 3.956 4.245 . 0 0 "[ . 1 . 2]" 1
146 1 20 ARG H 1 20 ARG HG2 3.250 . 3.750 3.296 3.277 3.338 . 0 0 "[ . 1 . 2]" 1
147 1 20 ARG H 1 20 ARG HG3 3.400 . 3.900 2.292 2.213 2.604 . 0 0 "[ . 1 . 2]" 1
148 1 20 ARG HA 1 21 VAL H 2.700 . 3.200 2.196 2.180 2.209 . 0 0 "[ . 1 . 2]" 1
149 1 20 ARG QB 1 20 ARG HE 4.800 . 5.300 3.672 2.400 4.169 . 0 0 "[ . 1 . 2]" 1
150 1 20 ARG QB 1 22 TYR QD 4.150 . 4.650 3.117 2.944 3.195 . 0 0 "[ . 1 . 2]" 1
151 1 20 ARG QB 1 22 TYR QE 3.770 . 4.270 2.474 2.346 2.547 . 0 0 "[ . 1 . 2]" 1
152 1 20 ARG QD 1 22 TYR QD 5.270 . 5.770 4.224 4.215 4.235 . 0 0 "[ . 1 . 2]" 1
153 1 20 ARG QD 1 22 TYR QE 4.170 . 4.670 2.414 2.256 2.682 . 0 0 "[ . 1 . 2]" 1
154 1 20 ARG QD 1 33 VAL MG1 6.070 . 6.570 3.611 2.832 4.061 . 0 0 "[ . 1 . 2]" 1
155 1 20 ARG QD 1 33 VAL MG2 6.740 . 7.240 3.793 3.435 4.045 . 0 0 "[ . 1 . 2]" 1
156 1 20 ARG HG2 1 22 TYR QE 5.500 . 6.000 4.815 4.596 4.906 . 0 0 "[ . 1 . 2]" 1
157 1 20 ARG HG3 1 22 TYR QE 5.050 . 5.550 4.267 4.040 4.439 . 0 0 "[ . 1 . 2]" 1
158 1 21 VAL HA 1 22 TYR H 2.700 . 3.200 2.160 2.151 2.178 . 0 0 "[ . 1 . 2]" 1
159 1 21 VAL HB 1 22 TYR H 4.500 . 5.000 4.350 4.269 4.386 . 0 0 "[ . 1 . 2]" 1
160 1 21 VAL MG1 1 22 TYR HA 5.160 . 5.660 3.791 3.708 3.905 . 0 0 "[ . 1 . 2]" 1
161 1 21 VAL MG1 1 23 TYR QD 4.740 . 5.240 3.504 3.347 3.555 . 0 0 "[ . 1 . 2]" 1
162 1 21 VAL MG1 1 23 TYR QE 3.910 . 4.410 2.763 2.640 2.925 . 0 0 "[ . 1 . 2]" 1
163 1 22 TYR HA 1 23 TYR H 2.700 . 3.200 2.253 2.163 2.333 . 0 0 "[ . 1 . 2]" 1
164 1 22 TYR HA 1 33 VAL HA 3.500 . 4.000 3.035 2.837 3.212 . 0 0 "[ . 1 . 2]" 1
165 1 22 TYR QB 1 23 TYR H 4.030 . 4.530 2.925 2.530 3.509 . 0 0 "[ . 1 . 2]" 1
166 1 22 TYR QB 1 24 ILE MD 4.450 . 4.950 3.157 2.941 3.315 . 0 0 "[ . 1 . 2]" 1
167 1 22 TYR QB 1 31 SER QB 4.090 . 4.590 2.720 2.278 3.015 . 0 0 "[ . 1 . 2]" 1
168 1 22 TYR QD 1 31 SER QB 3.960 . 4.460 3.152 3.129 3.160 . 0 0 "[ . 1 . 2]" 1
169 1 22 TYR QD 1 33 VAL HA 4.740 . 5.240 2.904 2.693 3.220 . 0 0 "[ . 1 . 2]" 1
170 1 22 TYR QD 1 33 VAL MG2 4.260 . 4.760 3.100 2.803 3.179 . 0 0 "[ . 1 . 2]" 1
171 1 22 TYR QE 1 33 VAL HA 5.050 . 5.550 4.134 3.811 4.501 . 0 0 "[ . 1 . 2]" 1
172 1 22 TYR QE 1 33 VAL MG2 4.120 . 4.620 2.699 2.444 2.973 . 0 0 "[ . 1 . 2]" 1
173 1 23 TYR H 1 32 TYR H 3.500 . 4.000 2.971 2.648 3.502 . 0 0 "[ . 1 . 2]" 1
174 1 23 TYR H 1 33 VAL HA 4.000 . 4.500 3.914 3.773 4.035 . 0 0 "[ . 1 . 2]" 1
175 1 23 TYR HB2 1 24 ILE H 4.500 . 5.000 4.220 4.137 4.292 . 0 0 "[ . 1 . 2]" 1
176 1 23 TYR HB3 1 24 ILE H 4.500 . 5.000 3.489 3.367 3.585 . 0 0 "[ . 1 . 2]" 1
177 1 23 TYR QD 1 34 CYS H 4.420 . 4.920 3.532 3.384 3.747 . 0 0 "[ . 1 . 2]" 1
178 1 23 TYR QD 1 34 CYS HA 3.730 . 4.230 3.325 3.276 3.347 . 0 0 "[ . 1 . 2]" 1
179 1 23 TYR QD 1 35 LEU MD1 4.950 . 5.450 3.672 3.615 3.688 . 0 0 "[ . 1 . 2]" 1
180 1 23 TYR QD 1 35 LEU MD2 4.030 . 4.530 2.545 2.492 2.608 . 0 0 "[ . 1 . 2]" 1
181 1 23 TYR QE 1 34 CYS HA 3.630 . 4.130 2.803 2.653 3.055 . 0 0 "[ . 1 . 2]" 1
182 1 23 TYR QE 1 35 LEU H 4.490 . 4.990 3.240 2.987 3.907 . 0 0 "[ . 1 . 2]" 1
183 1 23 TYR QE 1 35 LEU MD1 5.300 . 5.800 3.030 2.959 3.142 . 0 0 "[ . 1 . 2]" 1
184 1 23 TYR QE 1 35 LEU MD2 4.560 . 5.060 3.400 3.385 3.420 . 0 0 "[ . 1 . 2]" 1
185 1 24 ILE HA 1 25 CYS H 2.700 . 3.200 2.158 2.149 2.165 . 0 0 "[ . 1 . 2]" 1
186 1 24 ILE HA 1 31 SER HA 3.740 . 4.240 2.368 2.247 2.478 . 0 0 "[ . 1 . 2]" 1
187 1 24 ILE HA 1 32 TYR H 3.500 . 4.000 3.429 3.253 3.544 . 0 0 "[ . 1 . 2]" 1
188 1 24 ILE HB 1 25 CYS H 4.680 . 5.180 4.225 4.169 4.268 . 0 0 "[ . 1 . 2]" 1
189 1 24 ILE MD 1 24 ILE MG 2.880 . 3.380 2.017 2.008 2.024 . 0 0 "[ . 1 . 2]" 1
190 1 24 ILE MD 1 31 SER HA 4.050 . 4.550 3.391 3.364 3.412 . 0 0 "[ . 1 . 2]" 1
191 1 24 ILE MD 1 31 SER QB 3.370 . 3.870 2.444 2.341 2.513 . 0 0 "[ . 1 . 2]" 1
192 1 24 ILE HG12 1 31 SER QB 4.060 . 4.560 2.615 2.515 2.722 . 0 0 "[ . 1 . 2]" 1
193 1 24 ILE MG 1 29 LYS HA 3.700 . 4.200 2.000 1.974 2.032 . 0 0 "[ . 1 . 2]" 1
194 1 24 ILE MG 1 29 LYS HB2 5.300 . 5.800 4.073 4.026 4.125 . 0 0 "[ . 1 . 2]" 1
195 1 24 ILE MG 1 29 LYS HB3 4.460 . 4.960 2.905 2.857 2.963 . 0 0 "[ . 1 . 2]" 1
196 1 24 ILE MG 1 29 LYS HD2 6.030 . 6.530 4.807 3.781 5.069 . 0 0 "[ . 1 . 2]" 1
197 1 24 ILE MG 1 29 LYS HD3 5.400 . 5.900 4.211 4.061 4.540 . 0 0 "[ . 1 . 2]" 1
198 1 24 ILE MG 1 29 LYS QE 6.470 . 6.970 4.660 4.521 4.820 . 0 0 "[ . 1 . 2]" 1
199 1 24 ILE MG 1 29 LYS HG2 4.520 . 5.020 3.067 2.899 3.149 . 0 0 "[ . 1 . 2]" 1
200 1 24 ILE MG 1 29 LYS HG3 5.070 . 5.570 4.239 4.158 4.258 . 0 0 "[ . 1 . 2]" 1
201 1 24 ILE MG 1 31 SER QB 5.270 . 5.770 3.413 3.286 3.538 . 0 0 "[ . 1 . 2]" 1
202 1 25 CYS H 1 25 CYS HB2 3.650 . 4.150 2.744 2.706 2.792 . 0 0 "[ . 1 . 2]" 1
203 1 25 CYS H 1 25 CYS HB3 3.630 . 4.130 2.298 2.257 2.324 . 0 0 "[ . 1 . 2]" 1
204 1 25 CYS H 1 30 ARG H 4.220 . 4.720 3.288 3.194 3.391 . 0 0 "[ . 1 . 2]" 1
205 1 25 CYS H 1 31 SER HA 4.000 . 4.500 3.840 3.737 3.956 . 0 0 "[ . 1 . 2]" 1
206 1 25 CYS HA 1 38 LEU MD1 4.010 . 4.510 2.305 2.151 2.445 . 0 0 "[ . 1 . 2]" 1
207 1 25 CYS HA 1 38 LEU MD2 4.770 . 5.270 3.977 3.808 4.015 . 0 0 "[ . 1 . 2]" 1
208 1 25 CYS HB2 1 30 ARG H 4.000 . 4.500 4.080 3.953 4.256 . 0 0 "[ . 1 . 2]" 1
209 1 25 CYS HB2 1 38 LEU MD1 4.740 . 5.240 2.370 2.248 2.491 . 0 0 "[ . 1 . 2]" 1
210 1 25 CYS HB3 1 30 ARG H 4.500 . 5.000 2.386 2.277 2.547 . 0 0 "[ . 1 . 2]" 1
211 1 25 CYS HB3 1 38 LEU MD1 3.960 . 4.460 3.542 3.458 3.616 . 0 0 "[ . 1 . 2]" 1
212 1 26 ILE H 1 42 PHE QE 5.830 . 6.330 3.180 2.859 3.431 . 0 0 "[ . 1 . 2]" 1
213 1 26 ILE MD 1 42 PHE QE 4.650 . 5.150 3.462 3.448 3.478 . 0 0 "[ . 1 . 2]" 1
214 1 26 ILE MD 1 42 PHE HZ 4.620 . 5.120 2.793 2.692 3.079 . 0 0 "[ . 1 . 2]" 1
215 1 26 ILE HG12 1 27 VAL MG2 5.250 . 5.750 2.930 2.637 3.186 . 0 0 "[ . 1 . 2]" 1
216 1 26 ILE HG12 1 42 PHE QE 5.050 . 5.550 2.437 2.374 2.533 . 0 0 "[ . 1 . 2]" 1
217 1 26 ILE HG13 1 27 VAL MG2 5.860 . 6.360 2.420 2.342 2.518 . 0 0 "[ . 1 . 2]" 1
218 1 26 ILE HG13 1 42 PHE QE 5.160 . 5.660 3.423 3.111 3.750 . 0 0 "[ . 1 . 2]" 1
219 1 26 ILE MG 1 42 PHE QD 7.410 . 7.910 5.487 5.233 5.513 . 0 0 "[ . 1 . 2]" 1
220 1 26 ILE MG 1 42 PHE QE 6.000 . 6.500 4.217 4.099 4.303 . 0 0 "[ . 1 . 2]" 1
221 1 26 ILE MG 1 42 PHE HZ 5.940 . 6.440 4.970 4.956 4.986 . 0 0 "[ . 1 . 2]" 1
222 1 27 VAL H 1 28 CYS H 3.250 . 3.750 2.805 2.739 2.839 . 0 0 "[ . 1 . 2]" 1
223 1 27 VAL H 1 42 PHE QE 5.520 . 6.020 3.046 2.861 3.216 . 0 0 "[ . 1 . 2]" 1
224 1 27 VAL HB 1 45 HIS HD2 4.750 . 5.250 3.319 3.217 3.469 . 0 0 "[ . 1 . 2]" 1
225 1 27 VAL MG1 1 28 CYS HB2 5.420 . 5.920 4.423 4.353 4.460 . 0 0 "[ . 1 . 2]" 1
226 1 27 VAL MG1 1 28 CYS HB3 5.840 . 6.340 2.978 2.918 3.025 . 0 0 "[ . 1 . 2]" 1
227 1 27 VAL MG1 1 42 PHE QE 6.540 . 7.040 4.872 4.858 4.887 . 0 0 "[ . 1 . 2]" 1
228 1 27 VAL MG1 1 45 HIS HD2 5.820 . 6.320 4.089 3.971 4.269 . 0 0 "[ . 1 . 2]" 1
229 1 27 VAL MG1 1 45 HIS HE1 4.760 . 5.260 2.998 2.918 3.147 . 0 0 "[ . 1 . 2]" 1
230 1 27 VAL MG2 1 42 PHE QD 5.500 . 6.000 4.048 4.014 4.082 . 0 0 "[ . 1 . 2]" 1
231 1 27 VAL MG2 1 42 PHE QE 3.910 . 4.410 2.374 2.356 2.424 . 0 0 "[ . 1 . 2]" 1
232 1 27 VAL MG2 1 42 PHE HZ 4.200 . 4.700 3.055 2.716 3.366 . 0 0 "[ . 1 . 2]" 1
233 1 27 VAL MG2 1 45 HIS HB2 4.800 . 5.300 3.443 3.293 3.635 . 0 0 "[ . 1 . 2]" 1
234 1 27 VAL MG2 1 45 HIS HB3 5.160 . 5.660 2.685 2.519 2.845 . 0 0 "[ . 1 . 2]" 1
235 1 27 VAL MG2 1 45 HIS HD2 5.000 . 5.500 3.223 3.047 3.477 . 0 0 "[ . 1 . 2]" 1
236 1 28 CYS H 1 28 CYS HB2 4.200 . 4.700 3.687 3.667 3.739 . 0 0 "[ . 1 . 2]" 1
237 1 28 CYS H 1 28 CYS HB3 3.770 . 4.270 2.855 2.812 2.886 . 0 0 "[ . 1 . 2]" 1
238 1 28 CYS H 1 29 LYS H 3.000 . 3.500 2.368 2.339 2.405 . 0 0 "[ . 1 . 2]" 1
239 1 28 CYS H 1 45 HIS HE1 4.500 . 5.000 4.413 4.337 4.518 . 0 0 "[ . 1 . 2]" 1
240 1 28 CYS HA 1 45 HIS HE1 5.120 . 5.620 5.044 4.963 5.157 . 0 0 "[ . 1 . 2]" 1
241 1 28 CYS HB2 1 45 HIS HE1 4.020 . 4.520 4.265 4.212 4.304 . 0 0 "[ . 1 . 2]" 1
242 1 28 CYS HB3 1 45 HIS HE1 4.250 . 4.750 2.769 2.699 2.829 . 0 0 "[ . 1 . 2]" 1
243 1 29 LYS H 1 29 LYS HG2 3.440 . 3.940 3.413 3.319 3.452 . 0 0 "[ . 1 . 2]" 1
244 1 29 LYS H 1 29 LYS HG3 3.370 . 3.870 2.986 2.916 3.115 . 0 0 "[ . 1 . 2]" 1
245 1 30 ARG H 1 30 ARG HB2 3.000 . 3.500 2.291 2.228 2.325 . 0 0 "[ . 1 . 2]" 1
246 1 30 ARG H 1 30 ARG HB3 3.690 . 4.190 3.560 3.527 3.585 . 0 0 "[ . 1 . 2]" 1
247 1 30 ARG H 1 30 ARG HD2 4.430 . 4.930 4.314 4.211 4.481 . 0 0 "[ . 1 . 2]" 1
248 1 30 ARG H 1 30 ARG HD3 5.070 . 5.570 4.947 4.261 5.112 . 0 0 "[ . 1 . 2]" 1
249 1 30 ARG H 1 30 ARG HG2 4.250 . 4.750 4.164 4.115 4.254 . 0 0 "[ . 1 . 2]" 1
250 1 30 ARG H 1 30 ARG HG3 3.420 . 3.920 3.128 3.063 3.257 . 0 0 "[ . 1 . 2]" 1
251 1 30 ARG HA 1 31 SER H 2.700 . 3.200 2.181 2.170 2.193 . 0 0 "[ . 1 . 2]" 1
252 1 30 ARG HB2 1 30 ARG HE 4.700 . 5.200 4.398 4.074 4.746 . 0 0 "[ . 1 . 2]" 1
253 1 30 ARG HB2 1 31 SER H 4.400 . 4.900 4.359 4.305 4.424 . 0 0 "[ . 1 . 2]" 1
254 1 30 ARG HB3 1 31 SER H 3.700 . 4.200 3.282 3.198 3.418 . 0 0 "[ . 1 . 2]" 1
255 1 30 ARG HD2 1 41 HIS HD2 5.000 . 5.500 4.990 4.687 5.126 . 0 0 "[ . 1 . 2]" 1
256 1 30 ARG HD2 1 41 HIS HE1 3.600 . 4.100 2.623 2.560 2.779 . 0 0 "[ . 1 . 2]" 1
257 1 30 ARG HD3 1 41 HIS HE1 4.110 . 4.610 3.908 3.091 4.152 . 0 0 "[ . 1 . 2]" 1
258 1 30 ARG HE 1 41 HIS HE1 5.000 . 5.500 4.323 3.999 5.016 . 0 0 "[ . 1 . 2]" 1
259 1 31 SER H 1 31 SER QB 3.490 . 3.990 2.802 2.780 2.829 . 0 0 "[ . 1 . 2]" 1
260 1 31 SER QB 1 32 TYR H 4.030 . 4.530 2.877 2.679 3.153 . 0 0 "[ . 1 . 2]" 1
261 1 32 TYR H 1 32 TYR QD 4.470 . 4.970 3.253 3.017 3.474 . 0 0 "[ . 1 . 2]" 1
262 1 32 TYR HA 1 33 VAL H 2.700 . 3.200 2.186 2.161 2.209 . 0 0 "[ . 1 . 2]" 1
263 1 32 TYR HB2 1 33 VAL H 4.320 . 4.820 4.066 4.005 4.130 . 0 0 "[ . 1 . 2]" 1
264 1 32 TYR HB2 1 34 CYS H 3.550 . 4.050 3.582 3.559 3.612 . 0 0 "[ . 1 . 2]" 1
265 1 32 TYR HB3 1 33 VAL H 4.410 . 4.910 3.010 2.910 3.109 . 0 0 "[ . 1 . 2]" 1
266 1 32 TYR HB3 1 34 CYS H 3.500 . 4.000 2.437 2.340 2.528 . 0 0 "[ . 1 . 2]" 1
267 1 32 TYR QD 1 37 SER QB 4.720 . 5.220 2.446 2.183 2.921 . 0 0 "[ . 1 . 2]" 1
268 1 32 TYR QD 1 38 LEU MD1 4.100 . 4.600 2.221 2.139 2.344 . 0 0 "[ . 1 . 2]" 1
269 1 32 TYR QD 1 38 LEU MD2 5.730 . 6.230 4.267 4.233 4.308 . 0 0 "[ . 1 . 2]" 1
270 1 32 TYR QE 1 38 LEU MD1 4.850 . 5.350 2.689 2.532 3.009 . 0 0 "[ . 1 . 2]" 1
271 1 33 VAL HA 1 33 VAL MG1 3.240 . 3.740 2.652 2.604 2.703 . 0 0 "[ . 1 . 2]" 1
272 1 33 VAL HA 1 33 VAL MG2 3.240 . 3.740 2.293 2.261 2.342 . 0 0 "[ . 1 . 2]" 1
273 1 33 VAL HB 2 10 DG H2'' 4.500 . 5.000 4.608 4.571 4.631 . 0 0 "[ . 1 . 2]" 1
274 1 33 VAL HB 2 10 DG H3' 3.250 . 3.750 2.555 2.418 2.648 . 0 0 "[ . 1 . 2]" 1
275 1 33 VAL HB 2 10 DG H4' 4.750 . 5.250 4.314 4.230 4.411 . 0 0 "[ . 1 . 2]" 1
276 1 33 VAL HB 2 10 DG H5' 5.000 . 5.500 3.549 3.504 3.615 . 0 0 "[ . 1 . 2]" 1
277 1 33 VAL MG1 2 10 DG H2'' 6.000 . 6.500 3.981 3.909 4.078 . 0 0 "[ . 1 . 2]" 1
278 1 33 VAL MG1 2 10 DG H3' 3.240 . 3.740 2.064 2.035 2.105 . 0 0 "[ . 1 . 2]" 1
279 1 33 VAL MG1 2 10 DG H4' 4.920 . 5.420 3.830 3.756 3.922 . 0 0 "[ . 1 . 2]" 1
280 1 33 VAL MG1 2 10 DG H5' 4.800 . 5.300 4.151 4.136 4.165 . 0 0 "[ . 1 . 2]" 1
281 1 33 VAL MG1 2 10 DG H8 6.610 . 7.110 5.102 5.012 5.208 . 0 0 "[ . 1 . 2]" 1
282 1 33 VAL MG2 2 10 DG H2'' 6.610 . 7.110 5.524 5.512 5.535 . 0 0 "[ . 1 . 2]" 1
283 1 33 VAL MG2 2 10 DG H3' 3.960 . 4.460 3.309 3.295 3.322 . 0 0 "[ . 1 . 2]" 1
284 1 33 VAL MG2 2 10 DG H4' 4.800 . 5.300 3.863 3.750 3.994 . 0 0 "[ . 1 . 2]" 1
285 1 33 VAL MG2 2 10 DG H5' 3.960 . 4.460 3.202 3.144 3.259 . 0 0 "[ . 1 . 2]" 1
286 1 33 VAL MG2 2 10 DG H5'' 5.400 . 5.900 2.070 2.021 2.111 . 0 0 "[ . 1 . 2]" 1
287 1 33 VAL MG2 2 10 DG H8 6.610 . 7.110 5.369 5.173 5.476 . 0 0 "[ . 1 . 2]" 1
288 1 34 CYS H 1 34 CYS HB2 3.790 . 4.290 2.718 2.600 2.768 . 0 0 "[ . 1 . 2]" 1
289 1 34 CYS H 1 34 CYS HB3 3.980 . 4.480 3.845 3.779 3.868 . 0 0 "[ . 1 . 2]" 1
290 1 34 CYS HA 1 36 THR H 4.150 . 4.650 4.006 3.852 4.203 . 0 0 "[ . 1 . 2]" 1
291 1 34 CYS HB2 1 36 THR H 4.400 . 4.900 3.834 3.609 4.273 . 0 0 "[ . 1 . 2]" 1
292 1 34 CYS HB2 1 37 SER H 3.600 . 4.100 2.734 2.458 3.013 . 0 0 "[ . 1 . 2]" 1
293 1 34 CYS HB3 1 36 THR H 3.900 . 4.400 2.797 2.522 3.036 . 0 0 "[ . 1 . 2]" 1
294 1 34 CYS HB3 1 37 SER H 3.900 . 4.400 3.241 3.012 3.426 . 0 0 "[ . 1 . 2]" 1
295 1 35 LEU H 1 36 THR H 3.000 . 3.500 2.714 2.240 2.860 . 0 0 "[ . 1 . 2]" 1
296 1 35 LEU HA 1 38 LEU H 3.750 . 4.250 3.156 3.002 3.311 . 0 0 "[ . 1 . 2]" 1
297 1 35 LEU HA 1 38 LEU HB3 5.000 . 5.500 2.449 2.367 2.558 . 0 0 "[ . 1 . 2]" 1
298 1 35 LEU HA 1 39 ARG H 4.500 . 5.000 3.999 3.859 4.112 . 0 0 "[ . 1 . 2]" 1
299 1 35 LEU MD1 1 39 ARG QD 5.900 . 6.400 4.119 3.695 4.404 . 0 0 "[ . 1 . 2]" 1
300 1 35 LEU MD2 1 38 LEU HB2 4.600 . 5.100 3.586 3.393 3.832 . 0 0 "[ . 1 . 2]" 1
301 1 35 LEU MD2 1 38 LEU HB3 4.230 . 4.730 2.966 2.843 3.088 . 0 0 "[ . 1 . 2]" 1
302 1 35 LEU MD2 1 38 LEU MD1 5.600 . 6.100 3.877 3.668 3.913 . 0 0 "[ . 1 . 2]" 1
303 1 35 LEU MD2 1 38 LEU MD2 3.100 . 3.600 2.160 2.128 2.179 . 0 0 "[ . 1 . 2]" 1
304 1 35 LEU MD2 1 39 ARG QD 4.660 . 5.160 3.042 2.429 3.496 . 0 0 "[ . 1 . 2]" 1
305 1 36 THR H 1 37 SER H 3.000 . 3.500 2.879 2.731 2.974 . 0 0 "[ . 1 . 2]" 1
306 1 36 THR H 1 38 LEU H 4.200 . 4.700 4.205 4.133 4.237 . 0 0 "[ . 1 . 2]" 1
307 1 36 THR HA 1 39 ARG HG2 3.600 . 4.100 2.979 2.172 3.648 . 0 0 "[ . 1 . 2]" 1
308 1 36 THR HA 3 6 DT M7 7.210 . 7.710 3.859 2.680 4.631 . 0 0 "[ . 1 . 2]" 1
309 1 36 THR HA 3 7 DT M7 5.400 . 5.900 2.334 2.104 3.282 . 0 0 "[ . 1 . 2]" 1
310 1 36 THR HB 3 6 DT M7 6.300 . 6.800 4.630 4.107 5.265 . 0 0 "[ . 1 . 2]" 1
311 1 36 THR HB 3 7 DT M7 3.960 . 4.460 2.511 2.271 3.230 . 0 0 "[ . 1 . 2]" 1
312 1 36 THR MG 3 6 DT H6 6.910 . 7.410 4.325 3.918 5.176 . 0 0 "[ . 1 . 2]" 1
313 1 36 THR MG 3 6 DT M7 5.770 . 6.270 2.262 2.025 2.879 . 0 0 "[ . 1 . 2]" 1
314 1 36 THR MG 3 7 DT H6 6.610 . 7.110 5.290 5.080 5.538 . 0 0 "[ . 1 . 2]" 1
315 1 36 THR MG 3 7 DT M7 3.890 . 4.390 2.239 2.051 2.528 . 0 0 "[ . 1 . 2]" 1
316 1 37 SER H 1 38 LEU H 3.000 . 3.500 2.619 2.528 2.666 . 0 0 "[ . 1 . 2]" 1
317 1 37 SER H 1 39 ARG H 4.320 . 4.820 4.264 4.029 4.336 . 0 0 "[ . 1 . 2]" 1
318 1 37 SER HA 1 39 ARG H 4.600 . 5.100 4.599 4.492 4.694 . 0 0 "[ . 1 . 2]" 1
319 1 37 SER HA 1 40 ARG H 3.750 . 4.250 3.643 3.495 3.779 . 0 0 "[ . 1 . 2]" 1
320 1 38 LEU H 1 39 ARG H 3.000 . 3.500 2.776 2.745 2.806 . 0 0 "[ . 1 . 2]" 1
321 1 38 LEU H 1 40 ARG H 4.500 . 5.000 4.313 4.216 4.411 . 0 0 "[ . 1 . 2]" 1
322 1 38 LEU MD1 1 41 HIS HD2 4.800 . 5.300 2.775 2.597 3.101 . 0 0 "[ . 1 . 2]" 1
323 1 38 LEU MD1 1 42 PHE H 5.460 . 5.960 4.450 4.155 4.566 . 0 0 "[ . 1 . 2]" 1
324 1 38 LEU MD2 1 39 ARG QD 4.380 . 4.880 2.601 2.169 3.273 . 0 0 "[ . 1 . 2]" 1
325 1 38 LEU MD2 1 41 HIS HD2 5.970 . 6.470 5.015 4.984 5.050 . 0 0 "[ . 1 . 2]" 1
326 1 38 LEU MD2 1 42 PHE H 6.300 . 6.800 5.211 4.826 5.295 . 0 0 "[ . 1 . 2]" 1
327 1 39 ARG H 1 39 ARG QD 4.360 . 4.860 2.832 2.291 3.963 . 0 0 "[ . 1 . 2]" 1
328 1 39 ARG H 1 39 ARG HE 5.250 . 5.750 4.962 4.410 5.357 . 0 0 "[ . 1 . 2]" 1
329 1 39 ARG H 1 39 ARG HG2 3.150 . 3.650 2.480 2.105 3.193 . 0 0 "[ . 1 . 2]" 1
330 1 39 ARG H 1 39 ARG HG3 3.900 . 4.400 3.764 3.403 4.002 . 0 0 "[ . 1 . 2]" 1
331 1 39 ARG H 1 40 ARG H 3.000 . 3.500 2.762 2.669 2.861 . 0 0 "[ . 1 . 2]" 1
332 1 39 ARG HA 1 42 PHE H 3.750 . 4.250 3.542 3.304 3.762 . 0 0 "[ . 1 . 2]" 1
333 1 39 ARG HA 1 42 PHE HB2 5.000 . 5.500 3.355 3.011 3.688 . 0 0 "[ . 1 . 2]" 1
334 1 40 ARG H 1 40 ARG HB2 3.070 . 3.570 2.680 2.299 2.893 . 0 0 "[ . 1 . 2]" 1
335 1 40 ARG H 1 40 ARG HB3 2.970 . 3.470 2.301 2.147 2.614 . 0 0 "[ . 1 . 2]" 1
336 1 40 ARG H 1 40 ARG QD 5.330 . 5.830 4.501 4.156 4.810 . 0 0 "[ . 1 . 2]" 1
337 1 40 ARG H 1 40 ARG HG2 4.500 . 5.000 4.382 4.278 4.486 . 0 0 "[ . 1 . 2]" 1
338 1 40 ARG H 1 40 ARG HG3 4.700 . 5.200 4.584 4.399 4.668 . 0 0 "[ . 1 . 2]" 1
339 1 40 ARG H 1 42 PHE H 4.500 . 5.000 4.474 4.358 4.569 . 0 0 "[ . 1 . 2]" 1
340 1 40 ARG HB2 1 40 ARG HE 3.000 . 3.500 3.020 2.866 3.073 . 0 0 "[ . 1 . 2]" 1
341 1 40 ARG QD 1 62 LEU MD1 5.460 . 5.960 3.945 3.691 4.081 . 0 0 "[ . 1 . 2]" 1
342 1 40 ARG QD 1 62 LEU MD2 4.040 . 4.540 2.196 2.008 2.594 . 0 0 "[ . 1 . 2]" 1
343 1 40 ARG HG2 1 62 LEU MD1 4.710 . 5.210 3.015 2.692 3.389 . 0 0 "[ . 1 . 2]" 1
344 1 40 ARG HG2 1 62 LEU MD2 3.860 . 4.360 2.327 2.080 2.561 . 0 0 "[ . 1 . 2]" 1
345 1 40 ARG HG3 1 62 LEU MD2 3.480 . 3.980 2.426 2.117 2.959 . 0 0 "[ . 1 . 2]" 1
346 1 41 HIS H 1 42 PHE H 3.000 . 3.500 2.734 2.656 2.804 . 0 0 "[ . 1 . 2]" 1
347 1 41 HIS H 1 43 ASN H 4.250 . 4.750 4.242 4.054 4.320 . 0 0 "[ . 1 . 2]" 1
348 1 41 HIS HA 1 43 ASN H 4.500 . 5.000 4.089 4.017 4.180 . 0 0 "[ . 1 . 2]" 1
349 1 41 HIS HA 1 44 ILE MD 5.700 . 6.200 2.450 2.266 2.625 . 0 0 "[ . 1 . 2]" 1
350 1 41 HIS HE1 1 44 ILE MD 4.790 . 5.290 3.684 3.552 3.791 . 0 0 "[ . 1 . 2]" 1
351 1 41 HIS HE1 1 44 ILE MG 5.520 . 6.020 4.584 4.405 4.627 . 0 0 "[ . 1 . 2]" 1
352 1 42 PHE H 1 42 PHE HB2 3.560 . 4.060 2.218 2.178 2.253 . 0 0 "[ . 1 . 2]" 1
353 1 42 PHE H 1 42 PHE HB3 3.320 . 3.820 2.900 2.817 2.959 . 0 0 "[ . 1 . 2]" 1
354 1 42 PHE H 1 43 ASN H 3.000 . 3.500 2.870 2.762 2.920 . 0 0 "[ . 1 . 2]" 1
355 1 42 PHE HA 1 45 HIS H 3.750 . 4.250 3.322 3.237 3.458 . 0 0 "[ . 1 . 2]" 1
356 1 42 PHE QD 1 45 HIS HD2 4.910 . 5.410 2.931 2.719 3.128 . 0 0 "[ . 1 . 2]" 1
357 1 42 PHE QE 1 45 HIS HD2 5.610 . 6.110 3.542 3.418 3.639 . 0 0 "[ . 1 . 2]" 1
358 1 43 ASN H 1 44 ILE H 3.000 . 3.500 2.727 2.693 2.768 . 0 0 "[ . 1 . 2]" 1
359 1 43 ASN H 1 45 HIS H 4.500 . 5.000 4.218 4.173 4.267 . 0 0 "[ . 1 . 2]" 1
360 1 43 ASN HA 1 43 ASN HD21 3.500 . 4.000 2.829 2.616 3.277 . 0 0 "[ . 1 . 2]" 1
361 1 43 ASN HA 1 45 HIS H 4.460 . 4.960 3.857 3.721 3.922 . 0 0 "[ . 1 . 2]" 1
362 1 43 ASN HA 1 46 SER H 3.760 . 4.260 3.364 3.207 3.517 . 0 0 "[ . 1 . 2]" 1
363 1 43 ASN HA 1 48 GLU H 3.750 . 4.250 3.550 3.132 3.785 . 0 0 "[ . 1 . 2]" 1
364 1 43 ASN HB2 1 44 ILE H 4.360 . 4.860 3.967 3.915 4.060 . 0 0 "[ . 1 . 2]" 1
365 1 43 ASN HB3 1 44 ILE H 3.600 . 4.100 3.099 2.909 3.294 . 0 0 "[ . 1 . 2]" 1
366 1 43 ASN HD21 1 49 LYS H 3.110 . 3.610 3.126 2.916 3.185 . 0 0 "[ . 1 . 2]" 1
367 1 43 ASN HD22 1 48 GLU H 4.000 . 4.500 3.921 3.766 4.021 . 0 0 "[ . 1 . 2]" 1
368 1 43 ASN HD22 1 49 LYS H 2.870 . 3.370 2.244 2.056 2.400 . 0 0 "[ . 1 . 2]" 1
369 1 43 ASN HD22 1 49 LYS HB2 3.740 . 4.240 2.575 2.457 2.766 . 0 0 "[ . 1 . 2]" 1
370 1 43 ASN HD22 1 49 LYS HB3 4.050 . 4.550 4.004 3.892 4.077 . 0 0 "[ . 1 . 2]" 1
371 1 43 ASN HD22 1 49 LYS HG2 5.250 . 5.750 5.250 5.169 5.275 . 0 0 "[ . 1 . 2]" 1
372 1 43 ASN HD22 1 49 LYS HG3 4.250 . 4.750 4.279 4.111 4.353 . 0 0 "[ . 1 . 2]" 1
373 1 44 ILE H 1 45 HIS H 3.030 . 3.530 2.498 2.428 2.641 . 0 0 "[ . 1 . 2]" 1
374 1 44 ILE HA 1 44 ILE HG12 3.800 . 4.300 2.866 2.814 2.910 . 0 0 "[ . 1 . 2]" 1
375 1 44 ILE HA 1 47 TRP HE1 4.600 . 5.100 3.854 3.501 4.266 . 0 0 "[ . 1 . 2]" 1
376 1 44 ILE HB 1 45 HIS H 4.100 . 4.600 3.176 3.100 3.266 . 0 0 "[ . 1 . 2]" 1
377 1 44 ILE MD 1 44 ILE MG 2.880 . 3.380 2.027 2.022 2.030 . 0 0 "[ . 1 . 2]" 1
378 1 44 ILE MD 1 62 LEU MD1 4.330 . 4.830 2.187 2.118 2.287 . 0 0 "[ . 1 . 2]" 1
379 1 44 ILE HG12 1 62 LEU MD1 3.890 . 4.390 2.416 2.296 2.605 . 0 0 "[ . 1 . 2]" 1
380 1 44 ILE MG 1 45 HIS HE1 6.060 . 6.560 4.893 4.472 5.086 . 0 0 "[ . 1 . 2]" 1
381 1 44 ILE MG 1 47 TRP HE1 5.280 . 5.780 3.459 3.111 3.628 . 0 0 "[ . 1 . 2]" 1
382 1 44 ILE MG 1 47 TRP HZ2 6.120 . 6.620 3.736 3.515 3.879 . 0 0 "[ . 1 . 2]" 1
383 1 44 ILE MG 1 61 PRO HA 6.000 . 6.500 5.025 4.997 5.061 . 0 0 "[ . 1 . 2]" 1
384 1 44 ILE MG 1 61 PRO HG2 5.820 . 6.320 3.563 3.346 3.724 . 0 0 "[ . 1 . 2]" 1
385 1 44 ILE MG 1 61 PRO HG3 4.800 . 5.300 2.579 2.371 2.867 . 0 0 "[ . 1 . 2]" 1
386 1 44 ILE MG 1 62 LEU MD1 5.700 . 6.200 3.865 3.763 3.973 . 0 0 "[ . 1 . 2]" 1
387 1 45 HIS H 1 46 SER H 3.000 . 3.500 2.183 2.152 2.220 . 0 0 "[ . 1 . 2]" 1
388 1 46 SER H 1 46 SER HB3 3.310 . 3.810 2.623 2.570 2.676 . 0 0 "[ . 1 . 2]" 1
389 1 46 SER HB2 1 48 GLU QB 3.930 . 4.430 2.620 2.271 2.936 . 0 0 "[ . 1 . 2]" 1
390 1 46 SER HB2 1 48 GLU HG2 4.760 . 5.260 4.081 3.607 4.621 . 0 0 "[ . 1 . 2]" 1
391 1 46 SER HB2 1 48 GLU HG3 5.250 . 5.750 5.207 4.940 5.353 . 0 0 "[ . 1 . 2]" 1
392 1 47 TRP H 1 47 TRP HD1 4.940 . 5.440 3.434 3.125 3.713 . 0 0 "[ . 1 . 2]" 1
393 1 47 TRP H 1 48 GLU H 2.910 . 3.410 2.683 2.573 2.763 . 0 0 "[ . 1 . 2]" 1
394 1 47 TRP HB3 1 50 LYS HE2 5.000 . 5.500 4.363 3.684 5.003 . 0 0 "[ . 1 . 2]" 1
395 1 47 TRP HB3 1 50 LYS HE3 4.500 . 5.000 3.231 2.654 3.873 . 0 0 "[ . 1 . 2]" 1
396 1 47 TRP HE3 1 50 LYS HA 4.950 . 5.450 3.679 3.525 3.830 . 0 0 "[ . 1 . 2]" 1
397 1 47 TRP HE3 1 50 LYS QD 4.390 . 4.890 3.459 2.021 3.989 . 0 0 "[ . 1 . 2]" 1
398 1 47 TRP HE3 1 50 LYS HE2 4.430 . 4.930 3.138 2.145 4.380 . 0 0 "[ . 1 . 2]" 1
399 1 47 TRP HE3 1 50 LYS HE3 4.210 . 4.710 2.761 2.205 3.257 . 0 0 "[ . 1 . 2]" 1
400 1 47 TRP HE3 1 50 LYS QG 4.560 . 5.060 2.713 2.069 4.098 . 0 0 "[ . 1 . 2]" 1
401 1 47 TRP HE3 1 59 VAL MG1 4.620 . 5.120 3.697 3.654 3.760 . 0 0 "[ . 1 . 2]" 1
402 1 47 TRP HE3 1 59 VAL MG2 6.430 . 6.930 5.402 5.351 5.428 . 0 0 "[ . 1 . 2]" 1
403 1 47 TRP HH2 1 59 VAL HB 3.800 . 4.300 3.722 3.536 3.814 . 0 0 "[ . 1 . 2]" 1
404 1 47 TRP HH2 1 59 VAL MG1 4.320 . 4.820 3.583 3.215 3.616 . 0 0 "[ . 1 . 2]" 1
405 1 47 TRP HH2 1 59 VAL MG2 6.240 . 6.740 5.134 4.981 5.203 . 0 0 "[ . 1 . 2]" 1
406 1 47 TRP HZ3 1 50 LYS HA 4.900 . 5.400 3.734 3.505 4.063 . 0 0 "[ . 1 . 2]" 1
407 1 47 TRP HZ3 1 50 LYS QD 4.800 . 5.300 3.787 2.487 4.282 . 0 0 "[ . 1 . 2]" 1
408 1 47 TRP HZ3 1 50 LYS QG 4.910 . 5.410 3.087 2.442 4.477 . 0 0 "[ . 1 . 2]" 1
409 1 47 TRP HZ3 1 59 VAL HB 3.800 . 4.300 3.108 2.926 3.580 . 0 0 "[ . 1 . 2]" 1
410 1 47 TRP HZ3 1 59 VAL MG1 3.600 . 4.100 2.168 2.073 2.247 . 0 0 "[ . 1 . 2]" 1
411 1 47 TRP HZ3 1 59 VAL MG2 6.120 . 6.620 4.055 3.987 4.141 . 0 0 "[ . 1 . 2]" 1
412 1 48 GLU QB 1 49 LYS HA 5.160 . 5.660 4.576 4.503 4.636 . 0 0 "[ . 1 . 2]" 1
413 1 48 GLU QB 1 49 LYS QE 5.290 . 5.790 3.865 2.937 4.240 . 0 0 "[ . 1 . 2]" 1
414 1 48 GLU QB 1 49 LYS HG2 4.680 . 5.180 4.176 4.002 4.226 . 0 0 "[ . 1 . 2]" 1
415 1 48 GLU QB 1 49 LYS HG3 4.010 . 4.510 2.961 2.703 3.456 . 0 0 "[ . 1 . 2]" 1
416 1 48 GLU HG2 1 49 LYS QE 5.220 . 5.720 4.098 3.564 4.676 . 0 0 "[ . 1 . 2]" 1
417 1 48 GLU HG2 1 49 LYS HG2 5.500 . 6.000 5.120 4.793 5.411 . 0 0 "[ . 1 . 2]" 1
418 1 48 GLU HG2 1 49 LYS HG3 3.800 . 4.300 3.726 3.487 3.826 . 0 0 "[ . 1 . 2]" 1
419 1 48 GLU HG3 1 49 LYS HG2 4.300 . 4.800 3.737 3.505 4.009 . 0 0 "[ . 1 . 2]" 1
420 1 48 GLU HG3 1 49 LYS HG3 3.000 . 3.500 2.497 2.073 3.024 . 0 0 "[ . 1 . 2]" 1
421 1 49 LYS H 1 49 LYS QE 5.330 . 5.830 4.418 3.766 4.820 . 0 0 "[ . 1 . 2]" 1
422 1 49 LYS HA 1 50 LYS H 3.500 . 4.000 2.158 2.142 2.190 . 0 0 "[ . 1 . 2]" 1
423 1 49 LYS HB3 1 50 LYS H 3.750 . 4.250 3.444 3.135 3.757 . 0 0 "[ . 1 . 2]" 1
424 1 49 LYS HG2 1 50 LYS H 4.600 . 5.100 4.488 4.314 4.674 . 0 0 "[ . 1 . 2]" 1
425 1 49 LYS HG3 1 50 LYS H 5.250 . 5.750 5.180 4.964 5.264 . 0 0 "[ . 1 . 2]" 1
426 1 50 LYS H 1 50 LYS QD 4.280 . 4.780 3.740 3.328 3.953 . 0 0 "[ . 1 . 2]" 1
427 1 50 LYS HA 1 51 TYR H 3.750 . 4.250 2.234 2.197 2.375 . 0 0 "[ . 1 . 2]" 1
428 1 50 LYS HA 1 51 TYR QD 4.550 . 5.050 3.661 3.272 4.045 . 0 0 "[ . 1 . 2]" 1
429 1 50 LYS HB2 1 52 PRO HD3 3.750 . 4.250 3.237 2.847 3.506 . 0 0 "[ . 1 . 2]" 1
430 1 50 LYS HB2 1 59 VAL MG1 4.500 . 5.000 3.450 1.864 3.616 . 0 0 "[ . 1 . 2]" 1
431 1 50 LYS HB2 1 59 VAL MG2 5.760 . 6.260 4.743 3.527 4.839 . 0 0 "[ . 1 . 2]" 1
432 1 50 LYS HB3 1 59 VAL MG1 3.600 . 4.100 2.155 2.089 2.577 . 0 0 "[ . 1 . 2]" 1
433 1 50 LYS HB3 1 59 VAL MG2 4.920 . 5.420 3.623 3.509 4.266 . 0 0 "[ . 1 . 2]" 1
434 1 50 LYS QD 1 59 VAL MG1 3.910 . 4.410 2.525 2.303 2.730 . 0 0 "[ . 1 . 2]" 1
435 1 50 LYS QD 1 59 VAL MG2 5.730 . 6.230 3.289 2.607 3.901 . 0 0 "[ . 1 . 2]" 1
436 1 50 LYS HE2 1 59 VAL MG1 5.100 . 5.600 3.448 3.121 4.256 . 0 0 "[ . 1 . 2]" 1
437 1 50 LYS HE2 1 59 VAL MG2 6.120 . 6.620 4.086 3.818 4.661 . 0 0 "[ . 1 . 2]" 1
438 1 50 LYS HE3 1 59 VAL MG1 5.280 . 5.780 4.259 3.602 4.406 . 0 0 "[ . 1 . 2]" 1
439 1 50 LYS HE3 1 59 VAL MG2 6.240 . 6.740 5.183 4.443 5.238 . 0 0 "[ . 1 . 2]" 1
440 1 50 LYS QG 1 59 VAL MG1 3.910 . 4.410 2.459 2.212 2.998 . 0 0 "[ . 1 . 2]" 1
441 1 50 LYS QG 1 59 VAL MG2 5.260 . 5.760 3.866 3.717 3.937 . 0 0 "[ . 1 . 2]" 1
442 1 51 TYR H 1 51 TYR QD 4.000 . 4.500 2.883 2.750 3.048 . 0 0 "[ . 1 . 2]" 1
443 1 51 TYR H 1 51 TYR QE 5.370 . 5.870 4.752 4.566 4.830 . 0 0 "[ . 1 . 2]" 1
444 1 51 TYR H 1 59 VAL MG1 4.770 . 5.270 2.402 2.264 2.522 . 0 0 "[ . 1 . 2]" 1
445 1 51 TYR H 1 59 VAL MG2 5.880 . 6.380 4.711 4.606 4.820 . 0 0 "[ . 1 . 2]" 1
446 1 51 TYR H 1 60 PHE H 4.500 . 5.000 3.166 2.948 3.487 . 0 0 "[ . 1 . 2]" 1
447 1 51 TYR HB2 1 60 PHE H 5.110 . 5.610 3.152 3.044 3.418 . 0 0 "[ . 1 . 2]" 1
448 1 51 TYR HB3 1 60 PHE H 5.000 . 5.500 4.310 4.072 4.637 . 0 0 "[ . 1 . 2]" 1
449 1 51 TYR HB3 1 63 ALA HA 4.700 . 5.200 2.818 2.379 3.458 . 0 0 "[ . 1 . 2]" 1
450 1 51 TYR QD 1 63 ALA HA 4.770 . 5.270 3.015 2.666 3.345 . 0 0 "[ . 1 . 2]" 1
451 1 51 TYR QD 1 63 ALA MB 6.270 . 6.770 3.078 2.845 3.492 . 0 0 "[ . 1 . 2]" 1
452 1 52 PRO HA 1 53 CYS H 2.700 . 3.200 2.237 2.182 2.337 . 0 0 "[ . 1 . 2]" 1
453 1 52 PRO HA 1 59 VAL HA 3.590 . 4.090 1.989 1.912 2.061 . 0 0 "[ . 1 . 2]" 1
454 1 52 PRO HA 1 59 VAL MG1 4.440 . 4.940 2.670 2.515 2.820 . 0 0 "[ . 1 . 2]" 1
455 1 52 PRO HA 1 59 VAL MG2 4.140 . 4.640 2.670 2.501 2.914 . 0 0 "[ . 1 . 2]" 1
456 1 52 PRO HA 1 60 PHE H 3.500 . 4.000 3.268 3.013 3.394 . 0 0 "[ . 1 . 2]" 1
457 1 52 PRO HB2 1 59 VAL MG1 5.580 . 6.080 4.333 4.203 4.665 . 0 0 "[ . 1 . 2]" 1
458 1 52 PRO HB2 1 59 VAL MG2 4.920 . 5.420 3.567 3.374 4.100 . 0 0 "[ . 1 . 2]" 1
459 1 52 PRO HB3 1 59 VAL MG1 5.100 . 5.600 3.026 2.775 3.786 . 0 0 "[ . 1 . 2]" 1
460 1 52 PRO HB3 1 59 VAL MG2 3.840 . 4.340 2.253 2.147 2.589 . 0 0 "[ . 1 . 2]" 1
461 1 52 PRO HD2 1 59 VAL MG1 5.160 . 5.660 4.194 4.083 4.321 . 0 0 "[ . 1 . 2]" 1
462 1 52 PRO HD2 1 59 VAL MG2 6.240 . 6.740 5.155 4.834 5.238 . 0 0 "[ . 1 . 2]" 1
463 1 52 PRO HD3 1 59 VAL MG1 4.200 . 4.700 2.937 2.793 3.218 . 0 0 "[ . 1 . 2]" 1
464 1 52 PRO HD3 1 59 VAL MG2 5.640 . 6.140 4.082 3.923 4.380 . 0 0 "[ . 1 . 2]" 1
465 1 52 PRO HG2 1 59 VAL MG1 5.700 . 6.200 4.659 4.193 4.797 . 0 0 "[ . 1 . 2]" 1
466 1 52 PRO HG2 1 59 VAL MG2 5.820 . 6.320 4.706 3.898 4.903 . 0 0 "[ . 1 . 2]" 1
467 1 52 PRO HG3 1 59 VAL MG1 4.920 . 5.420 3.833 2.666 4.130 . 0 0 "[ . 1 . 2]" 1
468 1 52 PRO HG3 1 59 VAL MG2 5.040 . 5.540 3.855 2.504 4.195 . 0 0 "[ . 1 . 2]" 1
469 1 53 CYS H 1 53 CYS HB2 3.710 . 4.210 2.640 2.406 2.784 . 0 0 "[ . 1 . 2]" 1
470 1 53 CYS H 1 53 CYS HB3 3.740 . 4.240 2.437 2.323 2.706 . 0 0 "[ . 1 . 2]" 1
471 1 53 CYS H 1 58 LYS H 4.500 . 5.000 4.033 3.689 4.406 . 0 0 "[ . 1 . 2]" 1
472 1 53 CYS H 1 59 VAL HA 3.500 . 4.000 3.224 3.027 3.476 . 0 0 "[ . 1 . 2]" 1
473 1 53 CYS H 1 59 VAL MG2 5.310 . 5.810 3.926 3.744 4.101 . 0 0 "[ . 1 . 2]" 1
474 1 53 CYS HA 1 54 ARG H 2.700 . 3.200 2.299 2.222 2.588 . 0 0 "[ . 1 . 2]" 1
475 1 53 CYS HB2 1 56 CYS H 3.960 . 4.460 4.238 4.007 4.366 . 0 0 "[ . 1 . 2]" 1
476 1 53 CYS HB2 1 58 LYS H 4.060 . 4.560 4.328 3.728 4.492 . 0 0 "[ . 1 . 2]" 1
477 1 53 CYS HB3 1 56 CYS H 4.500 . 5.000 2.889 2.475 3.045 . 0 0 "[ . 1 . 2]" 1
478 1 53 CYS HB3 1 58 LYS H 4.480 . 4.980 3.066 2.838 3.300 . 0 0 "[ . 1 . 2]" 1
479 1 54 ARG H 1 54 ARG HB2 4.000 . 4.500 3.195 2.554 3.859 . 0 0 "[ . 1 . 2]" 1
480 1 54 ARG H 1 54 ARG HB3 3.720 . 4.220 2.972 2.096 3.804 . 0 0 "[ . 1 . 2]" 1
481 1 54 ARG H 1 54 ARG HD3 4.540 . 5.040 4.359 3.334 4.573 . 0 0 "[ . 1 . 2]" 1
482 1 54 ARG H 1 54 ARG HG2 3.870 . 4.370 2.470 2.114 3.947 . 0 0 "[ . 1 . 2]" 1
483 1 54 ARG H 1 54 ARG HG3 4.640 . 5.140 3.784 3.496 4.575 . 0 0 "[ . 1 . 2]" 1
484 1 54 ARG H 1 55 TYR H 3.500 . 4.000 2.498 1.984 2.720 . 0 0 "[ . 1 . 2]" 1
485 1 54 ARG HB2 1 55 TYR QE 5.890 . 6.390 4.364 3.010 5.270 . 0 0 "[ . 1 . 2]" 1
486 1 54 ARG HB3 1 55 TYR QE 5.720 . 6.220 4.792 3.789 5.190 . 0 0 "[ . 1 . 2]" 1
487 1 54 ARG HG2 1 55 TYR QE 4.380 . 4.880 3.381 2.980 3.949 . 0 0 "[ . 1 . 2]" 1
488 1 54 ARG HG3 1 55 TYR QE 4.710 . 5.210 3.770 3.125 4.251 . 0 0 "[ . 1 . 2]" 1
489 1 55 TYR H 1 55 TYR QD 4.830 . 5.330 2.377 1.687 2.706 0.113 15 0 "[ . 1 . 2]" 1
490 1 55 TYR H 1 55 TYR QE 6.120 . 6.620 4.026 3.710 4.270 . 0 0 "[ . 1 . 2]" 1
491 1 55 TYR H 1 56 CYS H 3.500 . 4.000 2.605 2.533 2.680 . 0 0 "[ . 1 . 2]" 1
492 1 55 TYR HA 1 56 CYS H 3.750 . 4.250 3.519 3.462 3.550 . 0 0 "[ . 1 . 2]" 1
493 1 55 TYR QD 1 121 LEU MD2 6.670 . 7.170 4.868 4.585 4.964 . 0 0 "[ . 1 . 2]" 1
494 1 55 TYR QE 1 70 GLU HB2 4.550 . 5.050 4.061 4.033 4.081 . 0 0 "[ . 1 . 2]" 1
495 1 55 TYR QE 1 70 GLU HB3 3.340 . 3.840 2.360 2.271 2.548 . 0 0 "[ . 1 . 2]" 1
496 1 55 TYR QE 1 70 GLU QG 4.090 . 4.590 2.981 2.640 3.266 . 0 0 "[ . 1 . 2]" 1
497 1 55 TYR QE 1 73 HIS HB2 4.770 . 5.270 3.799 3.379 4.278 . 0 0 "[ . 1 . 2]" 1
498 1 55 TYR QE 1 73 HIS HB3 5.140 . 5.640 3.958 3.527 4.304 . 0 0 "[ . 1 . 2]" 1
499 1 55 TYR QE 1 121 LEU MD2 4.720 . 5.220 3.245 2.946 3.442 . 0 0 "[ . 1 . 2]" 1
500 1 56 CYS HA 1 57 GLU H 3.600 . 4.100 2.476 2.409 2.559 . 0 0 "[ . 1 . 2]" 1
501 1 56 CYS HA 1 73 HIS HE1 4.750 . 5.250 4.788 4.769 4.818 . 0 0 "[ . 1 . 2]" 1
502 1 56 CYS HB2 1 73 HIS HE1 3.750 . 4.250 4.274 4.126 4.384 0.134 1 0 "[ . 1 . 2]" 1
503 1 56 CYS HB3 1 73 HIS HE1 4.380 . 4.880 2.658 2.578 2.721 . 0 0 "[ . 1 . 2]" 1
504 1 57 GLU H 1 57 GLU HG2 3.390 . 3.890 2.047 2.001 2.099 . 0 0 "[ . 1 . 2]" 1
505 1 57 GLU H 1 57 GLU HG3 3.490 . 3.990 3.229 3.129 3.312 . 0 0 "[ . 1 . 2]" 1
506 1 57 GLU HA 1 58 LYS H 3.250 . 3.750 3.146 2.960 3.292 . 0 0 "[ . 1 . 2]" 1
507 1 57 GLU HG3 1 58 LYS H 4.320 . 4.820 3.935 3.618 4.274 . 0 0 "[ . 1 . 2]" 1
508 1 58 LYS H 1 58 LYS QD 4.990 . 5.490 4.182 3.769 4.475 . 0 0 "[ . 1 . 2]" 1
509 1 58 LYS HA 1 59 VAL H 2.700 . 3.200 2.294 2.194 2.423 . 0 0 "[ . 1 . 2]" 1
510 1 58 LYS HA 1 59 VAL MG2 4.650 . 5.150 3.594 3.351 3.852 . 0 0 "[ . 1 . 2]" 1
511 1 58 LYS HB2 1 59 VAL H 4.360 . 4.860 3.746 2.553 4.222 . 0 0 "[ . 1 . 2]" 1
512 1 58 LYS HB3 1 59 VAL H 4.050 . 4.550 3.750 2.835 4.048 . 0 0 "[ . 1 . 2]" 1
513 1 58 LYS QD 1 60 PHE QD 5.750 . 6.250 4.493 4.211 4.601 . 0 0 "[ . 1 . 2]" 1
514 1 58 LYS QD 1 60 PHE QE 5.190 . 5.690 2.853 2.422 3.233 . 0 0 "[ . 1 . 2]" 1
515 1 58 LYS QD 1 69 HIS HE1 4.330 . 4.830 2.917 2.449 3.922 . 0 0 "[ . 1 . 2]" 1
516 1 58 LYS HE2 1 60 PHE QD 6.170 . 6.670 4.774 3.591 5.542 . 0 0 "[ . 1 . 2]" 1
517 1 58 LYS HE2 1 60 PHE QE 5.700 . 6.200 3.227 2.169 3.896 . 0 0 "[ . 1 . 2]" 1
518 1 58 LYS HE2 1 69 HIS HE1 5.050 . 5.550 4.300 2.733 5.076 . 0 0 "[ . 1 . 2]" 1
519 1 58 LYS HE3 1 69 HIS HE1 4.950 . 5.450 4.824 2.111 5.033 . 0 0 "[ . 1 . 2]" 1
520 1 59 VAL HA 1 60 PHE H 2.700 . 3.200 2.182 2.159 2.204 . 0 0 "[ . 1 . 2]" 1
521 1 59 VAL HB 1 60 PHE H 4.280 . 4.780 4.031 3.987 4.124 . 0 0 "[ . 1 . 2]" 1
522 1 60 PHE HA 1 62 LEU H 4.440 . 4.940 3.845 3.702 4.113 . 0 0 "[ . 1 . 2]" 1
523 1 60 PHE HB2 1 62 LEU H 4.200 . 4.700 3.200 3.012 3.495 . 0 0 "[ . 1 . 2]" 1
524 1 60 PHE HB3 1 62 LEU H 3.780 . 4.280 2.328 2.105 2.673 . 0 0 "[ . 1 . 2]" 1
525 1 62 LEU HB2 1 65 TYR H 3.500 . 4.000 3.050 2.896 3.192 . 0 0 "[ . 1 . 2]" 1
526 1 62 LEU HB3 1 65 TYR H 3.500 . 4.000 2.526 2.344 2.674 . 0 0 "[ . 1 . 2]" 1
527 1 62 LEU MD1 1 65 TYR QD 4.650 . 5.150 3.400 3.243 3.471 . 0 0 "[ . 1 . 2]" 1
528 1 62 LEU MD1 1 65 TYR QE 4.370 . 4.870 2.934 2.697 3.254 . 0 0 "[ . 1 . 2]" 1
529 1 62 LEU MD1 2 9 DT M7 6.130 . 6.630 4.136 3.792 4.256 . 0 0 "[ . 1 . 2]" 1
530 1 62 LEU MD2 1 65 TYR H 4.500 . 5.000 3.620 3.407 3.758 . 0 0 "[ . 1 . 2]" 1
531 1 62 LEU MD2 1 65 TYR QD 4.410 . 4.910 3.216 3.132 3.311 . 0 0 "[ . 1 . 2]" 1
532 1 62 LEU MD2 1 65 TYR QE 4.070 . 4.570 2.827 2.732 2.972 . 0 0 "[ . 1 . 2]" 1
533 1 62 LEU MD2 2 9 DT M7 3.890 . 4.390 2.620 2.401 2.710 . 0 0 "[ . 1 . 2]" 1
534 1 62 LEU HG 2 9 DT M7 6.000 . 6.500 4.946 4.735 5.032 . 0 0 "[ . 1 . 2]" 1
535 1 63 ALA H 1 64 GLU H 3.000 . 3.500 2.705 2.602 2.785 . 0 0 "[ . 1 . 2]" 1
536 1 63 ALA HA 1 66 ARG H 3.750 . 4.250 3.453 3.166 3.602 . 0 0 "[ . 1 . 2]" 1
537 1 63 ALA MB 3 8 DG H1' 6.300 . 6.800 4.637 4.373 5.063 . 0 0 "[ . 1 . 2]" 1
538 1 63 ALA MB 3 8 DG H2' 5.400 . 5.900 2.584 2.214 2.804 . 0 0 "[ . 1 . 2]" 1
539 1 63 ALA MB 3 8 DG H2'' 4.800 . 5.300 3.098 2.598 3.509 . 0 0 "[ . 1 . 2]" 1
540 1 63 ALA MB 3 8 DG H3' 3.240 . 3.740 1.989 1.899 2.311 . 0 0 "[ . 1 . 2]" 1
541 1 63 ALA MB 3 8 DG H4' 5.700 . 6.200 4.255 4.110 4.596 . 0 0 "[ . 1 . 2]" 1
542 1 63 ALA MB 3 8 DG H8 5.400 . 5.900 4.414 3.797 4.545 . 0 0 "[ . 1 . 2]" 1
543 1 64 GLU H 1 64 GLU HG3 3.500 . 4.000 3.189 2.095 3.621 . 0 0 "[ . 1 . 2]" 1
544 1 64 GLU H 1 65 TYR H 3.000 . 3.500 2.794 2.712 2.874 . 0 0 "[ . 1 . 2]" 1
545 1 64 GLU HA 1 67 THR H 3.500 . 4.000 3.386 3.241 3.583 . 0 0 "[ . 1 . 2]" 1
546 1 64 GLU HA 1 67 THR HB 4.550 . 5.050 2.611 2.324 3.004 . 0 0 "[ . 1 . 2]" 1
547 1 64 GLU QB 1 68 LYS HE3 4.660 . 5.160 4.075 3.138 4.202 . 0 0 "[ . 1 . 2]" 1
548 1 65 TYR H 1 66 ARG H 3.000 . 3.500 2.659 2.533 2.741 . 0 0 "[ . 1 . 2]" 1
549 1 65 TYR HA 1 68 LYS H 3.750 . 4.250 3.778 3.663 3.837 . 0 0 "[ . 1 . 2]" 1
550 1 65 TYR QE 2 8 DC H42 4.490 . 4.990 3.585 3.066 4.023 . 0 0 "[ . 1 . 2]" 1
551 1 65 TYR QE 2 8 DC H5 4.100 . 4.600 2.540 2.286 2.939 . 0 0 "[ . 1 . 2]" 1
552 1 65 TYR QE 2 9 DT M7 4.580 . 5.080 2.509 2.241 2.772 . 0 0 "[ . 1 . 2]" 1
553 1 66 ARG H 1 67 THR H 3.000 . 3.500 2.662 2.382 2.844 . 0 0 "[ . 1 . 2]" 1
554 1 66 ARG HB2 1 66 ARG HE 3.900 . 4.400 3.472 2.013 4.005 . 0 0 "[ . 1 . 2]" 1
555 1 66 ARG HB3 1 66 ARG HE 3.340 . 3.840 2.975 2.572 3.529 . 0 0 "[ . 1 . 2]" 1
556 1 66 ARG HG3 1 67 THR H 3.450 . 3.950 3.497 2.294 3.827 . 0 0 "[ . 1 . 2]" 1
557 1 67 THR H 1 68 LYS H 3.000 . 3.500 3.013 2.859 3.122 . 0 0 "[ . 1 . 2]" 1
558 1 67 THR H 1 69 HIS H 4.500 . 5.000 4.222 3.825 4.464 . 0 0 "[ . 1 . 2]" 1
559 1 67 THR HA 1 70 GLU H 3.500 . 4.000 3.541 3.471 3.612 . 0 0 "[ . 1 . 2]" 1
560 1 67 THR HA 1 70 GLU HB2 4.500 . 5.000 2.767 2.656 2.885 . 0 0 "[ . 1 . 2]" 1
561 1 67 THR HA 1 70 GLU HB3 4.500 . 5.000 4.422 4.304 4.547 . 0 0 "[ . 1 . 2]" 1
562 1 67 THR MG 1 121 LEU MD1 4.690 . 5.190 2.278 1.900 2.765 . 0 0 "[ . 1 . 2]" 1
563 1 67 THR MG 1 121 LEU MD2 5.190 . 5.690 3.127 2.547 3.704 . 0 0 "[ . 1 . 2]" 1
564 1 67 THR MG 1 123 ILE MD 4.690 . 5.190 2.695 2.042 3.273 . 0 0 "[ . 1 . 2]" 1
565 1 67 THR MG 1 123 ILE MG 4.080 . 4.580 2.152 1.946 2.830 . 0 0 "[ . 1 . 2]" 1
566 1 68 LYS H 1 68 LYS HE3 4.900 . 5.400 4.868 4.238 4.967 . 0 0 "[ . 1 . 2]" 1
567 1 68 LYS H 1 68 LYS QG 3.980 . 4.480 2.268 2.094 3.305 . 0 0 "[ . 1 . 2]" 1
568 1 68 LYS H 1 69 HIS H 3.000 . 3.500 2.833 2.772 2.903 . 0 0 "[ . 1 . 2]" 1
569 1 68 LYS H 1 70 GLU H 4.500 . 5.000 4.361 4.239 4.501 . 0 0 "[ . 1 . 2]" 1
570 1 68 LYS HA 1 71 ILE H 3.750 . 4.250 3.416 3.245 3.679 . 0 0 "[ . 1 . 2]" 1
571 1 68 LYS HA 1 71 ILE HB . . 3.800 2.467 2.260 2.731 . 0 0 "[ . 1 . 2]" 1
572 1 68 LYS HA 1 71 ILE MD 5.270 . 5.770 2.407 2.299 2.478 . 0 0 "[ . 1 . 2]" 1
573 1 68 LYS HA 1 71 ILE HG13 4.640 . 5.140 3.746 3.354 3.997 . 0 0 "[ . 1 . 2]" 1
574 1 68 LYS HA 1 71 ILE MG 5.370 . 5.870 3.671 3.409 3.904 . 0 0 "[ . 1 . 2]" 1
575 1 68 LYS HA 1 72 HIS H 4.500 . 5.000 4.524 4.174 4.615 . 0 0 "[ . 1 . 2]" 1
576 1 68 LYS HB2 1 71 ILE MD 6.060 . 6.560 5.048 4.903 5.115 . 0 0 "[ . 1 . 2]" 1
577 1 68 LYS HB3 1 71 ILE MD 5.580 . 6.080 4.405 4.149 4.660 . 0 0 "[ . 1 . 2]" 1
578 1 68 LYS HD3 1 71 ILE MD 4.800 . 5.300 2.680 2.304 3.905 . 0 0 "[ . 1 . 2]" 1
579 1 69 HIS H 1 70 GLU H 3.000 . 3.500 2.688 2.589 2.772 . 0 0 "[ . 1 . 2]" 1
580 1 69 HIS H 1 71 ILE H 4.500 . 5.000 3.997 3.898 4.082 . 0 0 "[ . 1 . 2]" 1
581 1 69 HIS HA 1 72 HIS H 3.750 . 4.250 3.337 3.207 3.420 . 0 0 "[ . 1 . 2]" 1
582 1 69 HIS HA 1 72 HIS QB 5.050 . 5.550 2.712 2.526 3.095 . 0 0 "[ . 1 . 2]" 1
583 1 70 GLU H 1 70 GLU HB2 3.030 . 3.530 2.387 2.315 2.606 . 0 0 "[ . 1 . 2]" 1
584 1 70 GLU H 1 70 GLU QG 3.420 . 3.920 2.468 2.320 2.605 . 0 0 "[ . 1 . 2]" 1
585 1 70 GLU H 1 71 ILE H 3.000 . 3.500 2.661 2.592 2.741 . 0 0 "[ . 1 . 2]" 1
586 1 70 GLU HA 1 73 HIS H 3.520 . 4.020 2.986 2.890 3.308 . 0 0 "[ . 1 . 2]" 1
587 1 70 GLU HA 1 73 HIS HD2 3.250 . 3.750 2.555 2.314 2.905 . 0 0 "[ . 1 . 2]" 1
588 1 70 GLU HB2 1 121 LEU MD2 5.040 . 5.540 2.228 2.110 2.469 . 0 0 "[ . 1 . 2]" 1
589 1 70 GLU HB2 1 121 LEU HG 4.950 . 5.450 4.937 4.565 5.024 . 0 0 "[ . 1 . 2]" 1
590 1 70 GLU HB3 1 121 LEU MD2 4.800 . 5.300 2.124 2.064 2.208 . 0 0 "[ . 1 . 2]" 1
591 1 70 GLU HB3 1 121 LEU HG 5.190 . 5.690 4.713 4.591 4.910 . 0 0 "[ . 1 . 2]" 1
592 1 71 ILE H 1 72 HIS H 3.000 . 3.500 2.580 2.514 2.671 . 0 0 "[ . 1 . 2]" 1
593 1 71 ILE HA 1 121 LEU MD2 4.500 . 5.000 3.048 2.842 3.434 . 0 0 "[ . 1 . 2]" 1
594 1 71 ILE HA 1 121 LEU HG 4.930 . 5.430 4.151 3.853 4.460 . 0 0 "[ . 1 . 2]" 1
595 1 71 ILE MD 1 76 GLU HB2 6.000 . 6.500 5.002 4.812 5.063 . 0 0 "[ . 1 . 2]" 1
596 1 71 ILE MD 1 76 GLU HG2 6.300 . 6.800 4.333 3.627 5.267 . 0 0 "[ . 1 . 2]" 1
597 1 71 ILE HG13 1 121 LEU MD2 4.280 . 4.780 2.223 2.099 2.460 . 0 0 "[ . 1 . 2]" 1
598 1 71 ILE HG13 1 121 LEU HG 4.500 . 5.000 3.600 2.813 3.905 . 0 0 "[ . 1 . 2]" 1
599 1 71 ILE MG 1 72 HIS QB 5.860 . 6.360 3.999 3.783 4.372 . 0 0 "[ . 1 . 2]" 1
600 1 71 ILE MG 1 74 THR H 5.850 . 6.350 4.767 4.310 4.882 . 0 0 "[ . 1 . 2]" 1
601 1 71 ILE MG 1 76 GLU H 4.860 . 5.360 3.281 3.014 3.449 . 0 0 "[ . 1 . 2]" 1
602 1 71 ILE MG 1 76 GLU HB2 5.100 . 5.600 3.651 3.297 3.849 . 0 0 "[ . 1 . 2]" 1
603 1 71 ILE MG 1 89 ILE MD 4.250 . 4.750 2.977 2.952 3.002 . 0 0 "[ . 1 . 2]" 1
604 1 71 ILE MG 1 89 ILE HG12 3.660 . 4.160 2.299 2.159 2.490 . 0 0 "[ . 1 . 2]" 1
605 1 71 ILE MG 1 89 ILE HG13 4.260 . 4.760 3.305 2.783 3.561 . 0 0 "[ . 1 . 2]" 1
606 1 72 HIS H 1 73 HIS H 3.000 . 3.500 2.476 2.366 2.749 . 0 0 "[ . 1 . 2]" 1
607 1 72 HIS H 1 74 THR H 4.500 . 5.000 4.060 3.891 4.164 . 0 0 "[ . 1 . 2]" 1
608 1 72 HIS HA 1 72 HIS HD2 4.900 . 5.400 3.573 2.312 4.433 . 0 0 "[ . 1 . 2]" 1
609 1 72 HIS HA 1 89 ILE MD 4.380 . 4.880 1.982 1.886 2.141 . 0 0 "[ . 1 . 2]" 1
610 1 72 HIS QB 1 89 ILE MD 6.540 . 7.040 3.510 3.292 3.785 . 0 0 "[ . 1 . 2]" 1
611 1 72 HIS QB 1 89 ILE MG 6.030 . 6.530 4.444 4.017 4.542 . 0 0 "[ . 1 . 2]" 1
612 1 72 HIS HD2 1 89 ILE MD 4.890 . 5.390 3.551 2.283 4.104 . 0 0 "[ . 1 . 2]" 1
613 1 72 HIS HE1 1 89 ILE MD 5.760 . 6.260 4.314 3.712 4.828 . 0 0 "[ . 1 . 2]" 1
614 1 72 HIS HE1 1 89 ILE MG 5.640 . 6.140 4.406 3.739 4.716 . 0 0 "[ . 1 . 2]" 1
615 1 73 HIS H 1 74 THR H 3.000 . 3.500 2.527 2.496 2.606 . 0 0 "[ . 1 . 2]" 1
616 1 74 THR HB 1 76 GLU H 4.270 . 4.770 3.280 2.463 3.689 . 0 0 "[ . 1 . 2]" 1
617 1 74 THR HB 1 120 SER HB2 3.950 . 4.450 2.919 2.211 3.979 . 0 0 "[ . 1 . 2]" 1
618 1 74 THR HB 1 120 SER HB3 3.900 . 4.400 3.081 2.253 3.925 . 0 0 "[ . 1 . 2]" 1
619 1 74 THR MG 1 76 GLU H 5.490 . 5.990 4.187 3.185 4.541 . 0 0 "[ . 1 . 2]" 1
620 1 74 THR MG 1 120 SER HB2 4.440 . 4.940 2.721 2.155 3.294 . 0 0 "[ . 1 . 2]" 1
621 1 74 THR MG 1 120 SER HB3 4.800 . 5.300 3.055 2.024 4.000 . 0 0 "[ . 1 . 2]" 1
622 1 75 GLY HA2 1 89 ILE MD 5.060 . 5.560 2.185 2.061 2.397 . 0 0 "[ . 1 . 2]" 1
623 1 75 GLY HA3 1 89 ILE MD 5.400 . 5.900 3.716 3.535 3.946 . 0 0 "[ . 1 . 2]" 1
624 1 77 ARG QB 1 87 SER HB2 4.370 . 4.870 2.815 2.361 3.274 . 0 0 "[ . 1 . 2]" 1
625 1 77 ARG QB 1 87 SER HB3 4.600 . 5.100 2.106 1.994 2.223 . 0 0 "[ . 1 . 2]" 1
626 1 77 ARG QD 1 87 SER HB2 4.860 . 5.360 3.730 2.548 4.390 . 0 0 "[ . 1 . 2]" 1
627 1 77 ARG QD 1 87 SER HB3 5.140 . 5.640 4.014 3.330 4.599 . 0 0 "[ . 1 . 2]" 1
628 1 77 ARG QD 1 89 ILE HA 5.610 . 6.110 3.616 2.499 5.056 . 0 0 "[ . 1 . 2]" 1
629 1 77 ARG QD 1 89 ILE HB 6.170 . 6.670 3.745 2.634 5.071 . 0 0 "[ . 1 . 2]" 1
630 1 77 ARG QD 1 89 ILE MD 6.610 . 7.110 4.203 3.324 4.949 . 0 0 "[ . 1 . 2]" 1
631 1 77 ARG HG2 1 87 SER HB2 4.460 . 4.960 3.781 2.262 4.496 . 0 0 "[ . 1 . 2]" 1
632 1 77 ARG HG2 1 87 SER HB3 4.600 . 5.100 4.025 2.550 4.646 . 0 0 "[ . 1 . 2]" 1
633 1 78 ARG HA 1 115 LEU MD2 4.480 . 4.980 3.487 2.949 3.825 . 0 0 "[ . 1 . 2]" 1
634 1 78 ARG HB2 1 115 LEU MD2 5.070 . 5.570 3.166 2.101 4.270 . 0 0 "[ . 1 . 2]" 1
635 1 78 ARG HB3 1 115 LEU MD2 5.430 . 5.930 2.586 1.971 4.518 . 0 0 "[ . 1 . 2]" 1
636 1 78 ARG HE 1 115 LEU MD2 4.680 . 5.180 2.594 1.943 3.821 . 0 0 "[ . 1 . 2]" 1
637 1 78 ARG HE 1 115 LEU HG 4.500 . 5.000 4.421 3.580 4.676 . 0 0 "[ . 1 . 2]" 1
638 1 79 TYR H 1 79 TYR QD 4.030 . 4.530 2.414 2.152 3.051 . 0 0 "[ . 1 . 2]" 1
639 1 79 TYR H 1 79 TYR QE 5.460 . 5.960 4.463 4.277 4.878 . 0 0 "[ . 1 . 2]" 1
640 1 79 TYR H 1 88 PHE H 4.400 . 4.900 3.390 3.119 4.039 . 0 0 "[ . 1 . 2]" 1
641 1 79 TYR H 1 88 PHE HB2 4.500 . 5.000 4.017 3.746 4.512 . 0 0 "[ . 1 . 2]" 1
642 1 79 TYR HB2 1 80 GLN H 4.500 . 5.000 4.455 4.272 4.547 . 0 0 "[ . 1 . 2]" 1
643 1 79 TYR HB2 1 88 PHE H 4.400 . 4.900 3.392 2.775 3.841 . 0 0 "[ . 1 . 2]" 1
644 1 79 TYR HB3 1 80 GLN H 4.500 . 5.000 3.770 3.437 4.050 . 0 0 "[ . 1 . 2]" 1
645 1 79 TYR QD 1 90 ASN H 4.660 . 5.160 3.538 3.357 3.798 . 0 0 "[ . 1 . 2]" 1
646 1 79 TYR QD 1 115 LEU MD2 5.740 . 6.240 3.749 2.905 4.270 . 0 0 "[ . 1 . 2]" 1
647 1 79 TYR QD 1 115 LEU HG 5.610 . 6.110 3.742 3.047 5.007 . 0 0 "[ . 1 . 2]" 1
648 1 79 TYR QE 1 90 ASN H 5.570 . 6.070 4.885 4.598 5.006 . 0 0 "[ . 1 . 2]" 1
649 1 79 TYR QE 1 90 ASN HA 4.890 . 5.390 2.347 2.153 2.600 . 0 0 "[ . 1 . 2]" 1
650 1 79 TYR QE 1 115 LEU MD2 5.370 . 5.870 3.494 2.763 4.013 . 0 0 "[ . 1 . 2]" 1
651 1 79 TYR QE 1 115 LEU HG 5.890 . 6.390 3.066 2.554 4.531 . 0 0 "[ . 1 . 2]" 1
652 1 80 GLN H 1 114 ARG H 4.270 . 4.770 3.060 2.823 3.279 . 0 0 "[ . 1 . 2]" 1
653 1 80 GLN H 1 114 ARG HB3 4.750 . 5.250 3.974 3.794 4.129 . 0 0 "[ . 1 . 2]" 1
654 1 80 GLN H 1 115 LEU HA 3.500 . 4.000 3.425 3.208 3.564 . 0 0 "[ . 1 . 2]" 1
655 1 80 GLN HA 1 81 CYS H 2.700 . 3.200 2.164 2.147 2.200 . 0 0 "[ . 1 . 2]" 1
656 1 80 GLN HA 1 87 SER HA 3.800 . 4.300 2.043 1.977 2.220 . 0 0 "[ . 1 . 2]" 1
657 1 80 GLN HA 1 87 SER HB2 5.300 . 5.800 4.702 4.249 4.939 . 0 0 "[ . 1 . 2]" 1
658 1 80 GLN HA 1 88 PHE H 3.600 . 4.100 3.283 2.796 3.637 . 0 0 "[ . 1 . 2]" 1
659 1 80 GLN HB2 1 81 CYS H 4.480 . 4.980 4.285 4.204 4.348 . 0 0 "[ . 1 . 2]" 1
660 1 80 GLN HB2 1 82 LEU MD2 6.200 . 6.700 5.129 4.857 5.189 . 0 0 "[ . 1 . 2]" 1
661 1 80 GLN HB3 1 81 CYS H 4.640 . 5.140 4.136 3.939 4.389 . 0 0 "[ . 1 . 2]" 1
662 1 80 GLN HB3 1 82 LEU MD2 6.080 . 6.580 3.733 3.596 3.939 . 0 0 "[ . 1 . 2]" 1
663 1 80 GLN HB3 1 114 ARG H 4.190 . 4.690 3.311 2.979 3.603 . 0 0 "[ . 1 . 2]" 1
664 1 80 GLN HB3 1 116 HIS HD2 4.500 . 5.000 3.292 2.582 3.473 . 0 0 "[ . 1 . 2]" 1
665 1 80 GLN HE22 1 80 GLN HG3 4.090 . 4.590 3.586 3.532 3.695 . 0 0 "[ . 1 . 2]" 1
666 1 80 GLN HG2 1 82 LEU MD2 6.000 . 6.500 3.549 3.025 3.842 . 0 0 "[ . 1 . 2]" 1
667 1 80 GLN HG2 1 114 ARG H 5.000 . 5.500 4.750 4.262 5.019 . 0 0 "[ . 1 . 2]" 1
668 1 80 GLN HG2 1 116 HIS HD2 5.200 . 5.700 5.178 4.099 5.274 . 0 0 "[ . 1 . 2]" 1
669 1 80 GLN HG3 1 82 LEU MD2 6.290 . 6.790 4.929 2.752 5.244 . 0 0 "[ . 1 . 2]" 1
670 1 80 GLN HG3 1 87 SER HA 5.300 . 5.800 3.185 2.515 5.175 . 0 0 "[ . 1 . 2]" 1
671 1 81 CYS H 1 81 CYS HB2 3.970 . 4.470 2.572 2.522 2.646 . 0 0 "[ . 1 . 2]" 1
672 1 81 CYS H 1 81 CYS HB3 3.920 . 4.420 2.492 2.451 2.591 . 0 0 "[ . 1 . 2]" 1
673 1 81 CYS H 1 86 LYS H 4.400 . 4.900 4.069 3.930 4.339 . 0 0 "[ . 1 . 2]" 1
674 1 81 CYS H 1 87 SER HA 3.500 . 4.000 3.057 2.794 3.259 . 0 0 "[ . 1 . 2]" 1
675 1 81 CYS H 1 88 PHE QD 4.600 . 5.100 3.577 3.184 4.086 . 0 0 "[ . 1 . 2]" 1
676 1 81 CYS H 1 88 PHE QE 4.770 . 5.270 3.492 3.180 4.154 . 0 0 "[ . 1 . 2]" 1
677 1 81 CYS HA 1 98 ILE MD 4.860 . 5.360 3.347 2.844 3.970 . 0 0 "[ . 1 . 2]" 1
678 1 81 CYS HA 1 113 TYR HA 3.750 . 4.250 2.559 2.430 2.797 . 0 0 "[ . 1 . 2]" 1
679 1 81 CYS HA 1 114 ARG H 4.250 . 4.750 3.986 3.883 4.143 . 0 0 "[ . 1 . 2]" 1
680 1 81 CYS HB2 1 86 LYS H 3.990 . 4.490 4.077 4.007 4.161 . 0 0 "[ . 1 . 2]" 1
681 1 81 CYS HB3 1 86 LYS H 4.050 . 4.550 2.577 2.486 2.700 . 0 0 "[ . 1 . 2]" 1
682 1 81 CYS HB3 1 88 PHE QD 4.830 . 5.330 4.807 4.394 5.042 . 0 0 "[ . 1 . 2]" 1
683 1 81 CYS HB3 1 88 PHE QE 5.050 . 5.550 3.309 3.143 3.725 . 0 0 "[ . 1 . 2]" 1
684 1 82 LEU H 1 113 TYR HA 3.300 . 3.800 2.855 1.993 3.295 . 0 0 "[ . 1 . 2]" 1
685 1 82 LEU HB2 1 113 TYR HA 5.200 . 5.700 3.794 3.494 4.079 . 0 0 "[ . 1 . 2]" 1
686 1 82 LEU HB3 1 113 TYR HA 5.200 . 5.700 5.009 4.787 5.249 . 0 0 "[ . 1 . 2]" 1
687 1 82 LEU MD1 1 112 LEU HA 3.780 . 4.280 3.153 2.997 3.271 . 0 0 "[ . 1 . 2]" 1
688 1 82 LEU MD1 1 113 TYR H 5.520 . 6.020 2.914 2.652 3.152 . 0 0 "[ . 1 . 2]" 1
689 1 82 LEU MD1 1 113 TYR HA 4.980 . 5.480 3.339 3.117 3.504 . 0 0 "[ . 1 . 2]" 1
690 1 82 LEU MD1 1 114 ARG H 4.770 . 5.270 3.860 3.623 3.987 . 0 0 "[ . 1 . 2]" 1
691 1 82 LEU MD1 1 114 ARG HB2 4.830 . 5.330 2.356 2.272 2.493 . 0 0 "[ . 1 . 2]" 1
692 1 82 LEU MD1 1 114 ARG HB3 5.030 . 5.530 3.792 3.492 4.036 . 0 0 "[ . 1 . 2]" 1
693 1 82 LEU MD1 1 114 ARG HD2 5.370 . 5.870 3.522 3.293 4.142 . 0 0 "[ . 1 . 2]" 1
694 1 82 LEU MD1 1 114 ARG HD3 5.660 . 6.160 4.651 4.479 4.800 . 0 0 "[ . 1 . 2]" 1
695 1 82 LEU MD1 1 114 ARG HG2 5.990 . 6.490 5.010 4.895 5.036 . 0 0 "[ . 1 . 2]" 1
696 1 82 LEU MD1 1 114 ARG HG3 5.660 . 6.160 4.088 3.932 4.426 . 0 0 "[ . 1 . 2]" 1
697 1 82 LEU MD2 1 113 TYR HA 5.140 . 5.640 3.843 3.723 4.107 . 0 0 "[ . 1 . 2]" 1
698 1 82 LEU MD2 1 114 ARG H 4.590 . 5.090 3.685 3.492 3.807 . 0 0 "[ . 1 . 2]" 1
699 1 82 LEU MD2 1 114 ARG HB2 4.310 . 4.810 2.205 2.152 2.251 . 0 0 "[ . 1 . 2]" 1
700 1 82 LEU MD2 1 114 ARG HB3 4.680 . 5.180 2.766 2.456 3.026 . 0 0 "[ . 1 . 2]" 1
701 1 82 LEU MD2 1 114 ARG HD2 5.030 . 5.530 2.783 2.374 2.967 . 0 0 "[ . 1 . 2]" 1
702 1 82 LEU MD2 1 114 ARG HD3 5.310 . 5.810 3.447 3.080 4.205 . 0 0 "[ . 1 . 2]" 1
703 1 82 LEU MD2 1 114 ARG HG2 5.700 . 6.200 4.464 4.035 4.641 . 0 0 "[ . 1 . 2]" 1
704 1 82 LEU MD2 1 114 ARG HG3 5.060 . 5.560 4.223 4.155 4.263 . 0 0 "[ . 1 . 2]" 1
705 1 82 LEU HG 1 113 TYR H 4.510 . 5.010 3.845 3.666 4.126 . 0 0 "[ . 1 . 2]" 1
706 1 82 LEU HG 1 113 TYR HA 4.480 . 4.980 2.300 2.162 2.480 . 0 0 "[ . 1 . 2]" 1
707 1 82 LEU HG 1 114 ARG H 3.500 . 4.000 3.181 2.811 3.360 . 0 0 "[ . 1 . 2]" 1
708 1 83 ALA MB 1 84 CYS HB2 4.610 . 5.110 4.853 4.812 4.936 . 0 0 "[ . 1 . 2]" 1
709 1 83 ALA MB 1 84 CYS HB3 5.980 . 6.480 3.547 3.500 3.651 . 0 0 "[ . 1 . 2]" 1
710 1 83 ALA MB 1 102 HIS HD2 4.500 . 5.000 3.392 3.251 3.595 . 0 0 "[ . 1 . 2]" 1
711 1 83 ALA MB 1 102 HIS HE1 4.280 . 4.780 2.843 2.601 3.040 . 0 0 "[ . 1 . 2]" 1
712 1 84 CYS H 1 84 CYS HB2 3.750 . 4.250 3.768 3.738 3.780 . 0 0 "[ . 1 . 2]" 1
713 1 84 CYS H 1 84 CYS HB3 3.840 . 4.340 3.003 2.965 3.045 . 0 0 "[ . 1 . 2]" 1
714 1 84 CYS HA 1 102 HIS HE1 4.280 . 4.780 4.288 4.188 4.342 . 0 0 "[ . 1 . 2]" 1
715 1 84 CYS HB2 1 102 HIS HE1 4.070 . 4.570 3.957 3.857 4.137 . 0 0 "[ . 1 . 2]" 1
716 1 84 CYS HB3 1 102 HIS HE1 4.250 . 4.750 2.267 2.153 2.422 . 0 0 "[ . 1 . 2]" 1
717 1 86 LYS HA 1 87 SER H 2.700 . 3.200 2.200 2.172 2.219 . 0 0 "[ . 1 . 2]" 1
718 1 86 LYS HB2 1 87 SER H 4.320 . 4.820 4.216 4.159 4.316 . 0 0 "[ . 1 . 2]" 1
719 1 86 LYS HB2 1 88 PHE QE 4.270 . 4.770 2.770 2.498 3.118 . 0 0 "[ . 1 . 2]" 1
720 1 86 LYS HB2 1 88 PHE HZ 4.350 . 4.850 2.987 2.795 3.146 . 0 0 "[ . 1 . 2]" 1
721 1 86 LYS HB3 1 87 SER H 3.900 . 4.400 3.135 3.034 3.428 . 0 0 "[ . 1 . 2]" 1
722 1 86 LYS HB3 1 88 PHE QE 4.970 . 5.470 3.261 3.012 3.514 . 0 0 "[ . 1 . 2]" 1
723 1 86 LYS QD 1 88 PHE HZ 5.610 . 6.110 3.436 3.141 4.642 . 0 0 "[ . 1 . 2]" 1
724 1 86 LYS QD 1 97 HIS HE1 4.780 . 5.280 2.836 2.622 4.323 . 0 0 "[ . 1 . 2]" 1
725 1 86 LYS QE 1 88 PHE QE 5.040 . 5.540 3.269 3.127 3.484 . 0 0 "[ . 1 . 2]" 1
726 1 86 LYS QE 1 88 PHE HZ 5.050 . 5.550 2.551 2.341 3.117 . 0 0 "[ . 1 . 2]" 1
727 1 86 LYS QE 1 97 HIS HE1 4.530 . 5.030 3.950 3.515 4.054 . 0 0 "[ . 1 . 2]" 1
728 1 87 SER H 1 87 SER HB2 3.690 . 4.190 2.566 2.492 2.692 . 0 0 "[ . 1 . 2]" 1
729 1 87 SER H 1 87 SER HB3 3.710 . 4.210 3.702 3.669 3.717 . 0 0 "[ . 1 . 2]" 1
730 1 87 SER HA 1 88 PHE H 2.700 . 3.200 2.240 2.192 2.298 . 0 0 "[ . 1 . 2]" 1
731 1 87 SER HB2 1 88 PHE H 4.060 . 4.560 3.969 3.796 4.087 . 0 0 "[ . 1 . 2]" 1
732 1 87 SER HB3 1 88 PHE H 4.320 . 4.820 2.947 2.644 3.182 . 0 0 "[ . 1 . 2]" 1
733 1 88 PHE H 1 88 PHE QD 4.410 . 4.910 2.854 2.770 2.919 . 0 0 "[ . 1 . 2]" 1
734 1 88 PHE H 1 88 PHE QE 5.330 . 5.830 4.744 4.620 4.767 . 0 0 "[ . 1 . 2]" 1
735 1 88 PHE HB3 1 90 ASN H 3.530 . 4.030 2.896 2.775 3.004 . 0 0 "[ . 1 . 2]" 1
736 1 88 PHE QD 1 93 PHE HB2 4.600 . 5.100 3.557 3.276 3.858 . 0 0 "[ . 1 . 2]" 1
737 1 88 PHE QD 1 93 PHE HB3 4.270 . 4.770 2.574 2.376 2.897 . 0 0 "[ . 1 . 2]" 1
738 1 89 ILE MD 1 93 PHE QD 6.280 . 6.780 4.693 4.554 4.738 . 0 0 "[ . 1 . 2]" 1
739 1 89 ILE MD 1 93 PHE QE 5.660 . 6.160 4.153 3.953 4.280 . 0 0 "[ . 1 . 2]" 1
740 1 89 ILE MG 1 90 ASN HD22 4.500 . 5.000 3.269 2.999 3.595 . 0 0 "[ . 1 . 2]" 1
741 1 89 ILE MG 1 93 PHE QD 4.110 . 4.610 2.061 1.991 2.301 . 0 0 "[ . 1 . 2]" 1
742 1 89 ILE MG 1 93 PHE QE 5.110 . 5.610 2.555 2.263 2.867 . 0 0 "[ . 1 . 2]" 1
743 1 90 ASN H 1 90 ASN HB2 4.000 . 4.500 4.008 3.984 4.034 . 0 0 "[ . 1 . 2]" 1
744 1 90 ASN H 1 90 ASN HB3 3.600 . 4.100 3.400 3.338 3.439 . 0 0 "[ . 1 . 2]" 1
745 1 90 ASN HB2 1 91 TYR H 3.000 . 3.500 2.334 2.260 2.391 . 0 0 "[ . 1 . 2]" 1
746 1 90 ASN HB2 1 92 GLN H 3.310 . 3.810 3.153 3.057 3.266 . 0 0 "[ . 1 . 2]" 1
747 1 90 ASN HD21 2 6 DT M7 3.600 . 4.100 2.905 2.579 3.013 . 0 0 "[ . 1 . 2]" 1
748 1 90 ASN HD22 2 6 DT M7 3.600 . 4.100 2.897 2.352 3.027 . 0 0 "[ . 1 . 2]" 1
749 1 91 TYR H 1 92 GLN H 3.000 . 3.500 2.694 2.637 2.757 . 0 0 "[ . 1 . 2]" 1
750 1 91 TYR QE 1 94 MET ME 5.190 . 5.690 2.680 2.354 2.999 . 0 0 "[ . 1 . 2]" 1
751 1 91 TYR QE 1 95 SER HB2 4.120 . 4.620 2.767 2.240 3.482 . 0 0 "[ . 1 . 2]" 1
752 1 91 TYR QE 1 95 SER HB3 4.510 . 5.010 3.732 3.150 4.054 . 0 0 "[ . 1 . 2]" 1
753 1 91 TYR QE 3 11 DA H3' 4.770 . 5.270 2.985 2.358 3.873 . 0 0 "[ . 1 . 2]" 1
754 1 91 TYR QE 3 11 DA H5'' 6.170 . 6.670 4.960 4.089 5.552 . 0 0 "[ . 1 . 2]" 1
755 1 91 TYR QE 3 12 DG H1' 5.840 . 6.340 5.172 4.939 5.284 . 0 0 "[ . 1 . 2]" 1
756 1 91 TYR QE 3 12 DG H8 4.490 . 4.990 3.341 2.422 4.023 . 0 0 "[ . 1 . 2]" 1
757 1 92 GLN H 1 92 GLN HE21 4.870 . 5.370 4.305 4.140 4.457 . 0 0 "[ . 1 . 2]" 1
758 1 92 GLN H 1 92 GLN HE22 4.170 . 4.670 3.905 3.695 4.088 . 0 0 "[ . 1 . 2]" 1
759 1 92 GLN H 1 93 PHE H 3.000 . 3.500 2.837 2.759 2.887 . 0 0 "[ . 1 . 2]" 1
760 1 92 GLN H 2 5 DT M7 6.610 . 7.110 5.167 4.926 5.510 . 0 0 "[ . 1 . 2]" 1
761 1 92 GLN H 2 6 DT M7 7.210 . 7.710 4.775 4.543 5.058 . 0 0 "[ . 1 . 2]" 1
762 1 92 GLN HA 1 95 SER H 4.000 . 4.500 3.856 3.615 4.017 . 0 0 "[ . 1 . 2]" 1
763 1 92 GLN HA 1 96 SER H 4.500 . 5.000 4.103 3.990 4.259 . 0 0 "[ . 1 . 2]" 1
764 1 92 GLN HB2 2 5 DT M7 5.400 . 5.900 2.948 2.662 3.344 . 0 0 "[ . 1 . 2]" 1
765 1 92 GLN HB2 2 6 DT M7 4.500 . 5.000 3.580 2.831 3.771 . 0 0 "[ . 1 . 2]" 1
766 1 92 GLN HB3 2 5 DT M7 4.800 . 5.300 2.851 2.357 3.361 . 0 0 "[ . 1 . 2]" 1
767 1 92 GLN HE21 2 7 DC H41 3.250 . 3.750 2.266 2.035 2.552 . 0 0 "[ . 1 . 2]" 1
768 1 92 GLN HE22 2 7 DC H41 3.250 . 3.750 2.997 2.846 3.197 . 0 0 "[ . 1 . 2]" 1
769 1 92 GLN HE22 2 7 DC H42 3.000 . 3.500 3.041 2.966 3.145 . 0 0 "[ . 1 . 2]" 1
770 1 92 GLN HG2 2 5 DT M7 4.800 . 5.300 3.705 3.365 4.005 . 0 0 "[ . 1 . 2]" 1
771 1 92 GLN HG2 2 6 DT M7 4.800 . 5.300 3.321 2.684 3.595 . 0 0 "[ . 1 . 2]" 1
772 1 93 PHE H 1 94 MET H 3.000 . 3.500 2.686 2.633 2.754 . 0 0 "[ . 1 . 2]" 1
773 1 93 PHE HA 1 96 SER H 3.750 . 4.250 3.661 3.482 3.769 . 0 0 "[ . 1 . 2]" 1
774 1 93 PHE HA 1 96 SER HB2 4.120 . 4.620 3.637 3.475 3.795 . 0 0 "[ . 1 . 2]" 1
775 1 93 PHE HA 1 96 SER HB3 4.200 . 4.700 2.842 2.694 3.010 . 0 0 "[ . 1 . 2]" 1
776 1 93 PHE QD 1 96 SER HB2 5.500 . 6.000 4.883 4.570 4.935 . 0 0 "[ . 1 . 2]" 1
777 1 93 PHE QD 1 96 SER HB3 4.710 . 5.210 4.012 3.633 4.250 . 0 0 "[ . 1 . 2]" 1
778 1 93 PHE QD 2 4 DC H2'' 6.730 . 7.230 5.714 5.098 5.997 . 0 0 "[ . 1 . 2]" 1
779 1 93 PHE QD 2 4 DC H3' 6.450 . 6.950 5.476 4.430 5.759 . 0 0 "[ . 1 . 2]" 1
780 1 93 PHE QD 2 5 DT M7 6.400 . 6.900 3.517 3.284 3.794 . 0 0 "[ . 1 . 2]" 1
781 1 93 PHE QD 2 6 DT M7 7.080 . 7.580 5.150 4.164 5.296 . 0 0 "[ . 1 . 2]" 1
782 1 93 PHE QE 2 4 DC H2' 5.610 . 6.110 2.551 2.187 2.940 . 0 0 "[ . 1 . 2]" 1
783 1 93 PHE QE 2 4 DC H2'' 4.770 . 5.270 3.745 3.253 4.068 . 0 0 "[ . 1 . 2]" 1
784 1 93 PHE QE 2 4 DC H3' 4.210 . 4.710 3.383 2.158 3.765 . 0 0 "[ . 1 . 2]" 1
785 1 93 PHE QE 2 4 DC H6 6.450 . 6.950 3.324 2.902 4.188 . 0 0 "[ . 1 . 2]" 1
786 1 93 PHE QE 2 5 DT M7 6.070 . 6.570 2.861 2.116 3.470 . 0 0 "[ . 1 . 2]" 1
787 1 93 PHE QE 2 6 DT M7 6.400 . 6.900 4.660 3.997 4.766 . 0 0 "[ . 1 . 2]" 1
788 1 93 PHE HZ 2 4 DC H2'' 4.000 . 4.500 2.834 2.626 3.182 . 0 0 "[ . 1 . 2]" 1
789 1 93 PHE HZ 2 4 DC H3' 3.250 . 3.750 2.744 2.428 3.067 . 0 0 "[ . 1 . 2]" 1
790 1 93 PHE HZ 2 4 DC H4' 5.500 . 6.000 5.368 5.196 5.579 . 0 0 "[ . 1 . 2]" 1
791 1 93 PHE HZ 2 5 DT H6 5.000 . 5.500 3.751 3.323 4.648 . 0 0 "[ . 1 . 2]" 1
792 1 93 PHE HZ 2 5 DT M7 4.800 . 5.300 3.135 2.667 4.012 . 0 0 "[ . 1 . 2]" 1
793 1 94 MET H 1 95 SER H 3.000 . 3.500 2.839 2.760 2.931 . 0 0 "[ . 1 . 2]" 1
794 1 94 MET H 1 96 SER H 4.500 . 5.000 4.350 4.283 4.447 . 0 0 "[ . 1 . 2]" 1
795 1 94 MET HA 1 97 HIS H 3.750 . 4.250 3.545 3.380 3.712 . 0 0 "[ . 1 . 2]" 1
796 1 94 MET HA 1 98 ILE H 4.500 . 5.000 4.112 4.002 4.233 . 0 0 "[ . 1 . 2]" 1
797 1 94 MET HB2 1 98 ILE MD 5.860 . 6.360 4.451 3.516 4.903 . 0 0 "[ . 1 . 2]" 1
798 1 94 MET ME 1 95 SER HB2 4.650 . 5.150 2.948 2.412 3.915 . 0 0 "[ . 1 . 2]" 1
799 1 94 MET ME 1 98 ILE MD 5.960 . 6.460 2.967 1.932 3.591 . 0 0 "[ . 1 . 2]" 1
800 1 94 MET ME 1 106 PRO QB 4.380 . 4.880 2.521 2.181 3.058 . 0 0 "[ . 1 . 2]" 1
801 1 94 MET ME 1 106 PRO HG2 4.440 . 4.940 3.436 2.829 3.760 . 0 0 "[ . 1 . 2]" 1
802 1 94 MET ME 1 106 PRO HG3 4.440 . 4.940 3.298 2.416 3.715 . 0 0 "[ . 1 . 2]" 1
803 1 94 MET ME 1 113 TYR QD 4.450 . 4.950 2.852 2.225 3.218 . 0 0 "[ . 1 . 2]" 1
804 1 94 MET ME 1 113 TYR QE 4.040 . 4.540 2.927 2.609 3.025 . 0 0 "[ . 1 . 2]" 1
805 1 94 MET QG 1 113 TYR QD 5.060 . 5.560 3.880 2.868 4.087 . 0 0 "[ . 1 . 2]" 1
806 1 95 SER H 1 95 SER HB3 3.760 . 4.260 2.559 2.428 2.706 . 0 0 "[ . 1 . 2]" 1
807 1 95 SER H 1 96 SER H 3.000 . 3.500 2.801 2.748 2.864 . 0 0 "[ . 1 . 2]" 1
808 1 95 SER H 1 97 HIS H 4.500 . 5.000 4.156 4.076 4.254 . 0 0 "[ . 1 . 2]" 1
809 1 95 SER HA 1 99 LYS H 4.250 . 4.750 4.049 3.902 4.203 . 0 0 "[ . 1 . 2]" 1
810 1 95 SER HB2 1 106 PRO HG2 4.600 . 5.100 3.518 2.779 4.489 . 0 0 "[ . 1 . 2]" 1
811 1 95 SER HB2 1 106 PRO HG3 4.400 . 4.900 3.761 2.717 4.412 . 0 0 "[ . 1 . 2]" 1
812 1 95 SER HB3 1 96 SER H 3.940 . 4.440 2.486 2.404 2.602 . 0 0 "[ . 1 . 2]" 1
813 1 95 SER HB3 1 96 SER HB2 5.000 . 5.500 4.254 4.136 4.418 . 0 0 "[ . 1 . 2]" 1
814 1 95 SER HB3 1 106 PRO HG2 5.000 . 5.500 4.788 4.121 5.069 . 0 0 "[ . 1 . 2]" 1
815 1 96 SER H 1 96 SER HB2 2.930 . 3.430 2.456 2.412 2.566 . 0 0 "[ . 1 . 2]" 1
816 1 96 SER H 1 96 SER HB3 2.980 . 3.480 2.596 2.477 2.645 . 0 0 "[ . 1 . 2]" 1
817 1 96 SER H 1 97 HIS H 3.000 . 3.500 2.757 2.724 2.809 . 0 0 "[ . 1 . 2]" 1
818 1 96 SER HA 1 99 LYS H 3.750 . 4.250 3.745 3.678 3.793 . 0 0 "[ . 1 . 2]" 1
819 1 96 SER HA 1 99 LYS QB 4.460 . 4.960 2.840 2.657 4.008 . 0 0 "[ . 1 . 2]" 1
820 1 96 SER HA 1 99 LYS HD2 4.580 . 5.080 3.234 2.530 4.602 . 0 0 "[ . 1 . 2]" 1
821 1 96 SER HA 1 99 LYS HD3 4.850 . 5.350 4.287 2.843 4.893 . 0 0 "[ . 1 . 2]" 1
822 1 96 SER HA 1 99 LYS HG3 4.890 . 5.390 4.261 3.238 4.405 . 0 0 "[ . 1 . 2]" 1
823 1 96 SER HA 1 100 SER H 4.260 . 4.760 3.994 3.912 4.162 . 0 0 "[ . 1 . 2]" 1
824 1 97 HIS H 1 98 ILE H 3.000 . 3.500 2.778 2.712 2.830 . 0 0 "[ . 1 . 2]" 1
825 1 97 HIS H 1 99 LYS H 4.500 . 5.000 4.211 4.144 4.384 . 0 0 "[ . 1 . 2]" 1
826 1 97 HIS HA 1 101 VAL H 4.250 . 4.750 3.829 3.769 3.939 . 0 0 "[ . 1 . 2]" 1
827 1 97 HIS HA 1 101 VAL MG2 5.160 . 5.660 3.097 2.990 3.202 . 0 0 "[ . 1 . 2]" 1
828 1 97 HIS HD2 1 98 ILE MG 5.580 . 6.080 4.594 4.481 4.664 . 0 0 "[ . 1 . 2]" 1
829 1 97 HIS HE1 1 101 VAL HB 3.750 . 4.250 3.265 2.973 3.767 . 0 0 "[ . 1 . 2]" 1
830 1 97 HIS HE1 1 101 VAL MG1 3.840 . 4.340 2.411 2.261 2.813 . 0 0 "[ . 1 . 2]" 1
831 1 97 HIS HE1 1 101 VAL MG2 3.510 . 4.010 2.606 2.452 2.709 . 0 0 "[ . 1 . 2]" 1
832 1 98 ILE H 1 99 LYS H 3.000 . 3.500 2.641 2.567 2.747 . 0 0 "[ . 1 . 2]" 1
833 1 98 ILE HA 1 101 VAL H 3.750 . 4.250 3.732 3.631 3.807 . 0 0 "[ . 1 . 2]" 1
834 1 98 ILE HA 1 102 HIS H 4.250 . 4.750 3.004 2.940 3.100 . 0 0 "[ . 1 . 2]" 1
835 1 98 ILE HA 1 102 HIS HD2 4.010 . 4.510 2.080 2.041 2.170 . 0 0 "[ . 1 . 2]" 1
836 1 98 ILE MD 1 102 HIS HD2 5.910 . 6.410 4.174 3.770 4.500 . 0 0 "[ . 1 . 2]" 1
837 1 98 ILE MD 1 106 PRO HA 5.120 . 5.620 3.881 3.058 4.315 . 0 0 "[ . 1 . 2]" 1
838 1 98 ILE MD 1 106 PRO QB 4.930 . 5.430 2.358 2.156 3.090 . 0 0 "[ . 1 . 2]" 1
839 1 98 ILE MD 1 113 TYR HB2 6.300 . 6.800 3.515 3.213 3.948 . 0 0 "[ . 1 . 2]" 1
840 1 98 ILE MD 1 113 TYR QD 5.880 . 6.380 3.040 2.396 3.263 . 0 0 "[ . 1 . 2]" 1
841 1 98 ILE MD 1 113 TYR QE 6.480 . 6.980 4.626 3.691 4.857 . 0 0 "[ . 1 . 2]" 1
842 1 98 ILE HG12 1 102 HIS HD2 4.850 . 5.350 2.609 2.403 2.862 . 0 0 "[ . 1 . 2]" 1
843 1 98 ILE HG13 1 102 HIS HD2 4.850 . 5.350 3.856 3.669 4.060 . 0 0 "[ . 1 . 2]" 1
844 1 98 ILE MG 1 102 HIS HA 6.360 . 6.860 5.112 4.921 5.278 . 0 0 "[ . 1 . 2]" 1
845 1 98 ILE MG 1 102 HIS HB2 6.060 . 6.560 2.482 2.359 2.646 . 0 0 "[ . 1 . 2]" 1
846 1 98 ILE MG 1 102 HIS HD2 5.730 . 6.230 2.932 2.512 3.313 . 0 0 "[ . 1 . 2]" 1
847 1 98 ILE MG 1 104 GLN HB2 3.820 . 4.320 2.589 2.184 2.721 . 0 0 "[ . 1 . 2]" 1
848 1 98 ILE MG 1 104 GLN HB3 4.010 . 4.510 3.355 3.128 3.423 . 0 0 "[ . 1 . 2]" 1
849 1 98 ILE MG 1 104 GLN HG2 6.120 . 6.620 5.026 4.475 5.120 . 0 0 "[ . 1 . 2]" 1
850 1 98 ILE MG 1 104 GLN HG3 5.580 . 6.080 4.566 3.862 4.704 . 0 0 "[ . 1 . 2]" 1
851 1 98 ILE MG 1 106 PRO HA 5.020 . 5.520 3.707 3.121 4.187 . 0 0 "[ . 1 . 2]" 1
852 1 98 ILE MG 1 106 PRO QB 5.370 . 5.870 2.976 2.488 3.987 . 0 0 "[ . 1 . 2]" 1
853 1 99 LYS H 1 99 LYS QE 5.650 . 6.150 4.346 3.465 4.748 . 0 0 "[ . 1 . 2]" 1
854 1 99 LYS H 1 99 LYS HG2 3.820 . 4.320 3.670 2.263 3.822 . 0 0 "[ . 1 . 2]" 1
855 1 99 LYS H 1 99 LYS HG3 3.390 . 3.890 2.520 2.336 3.413 . 0 0 "[ . 1 . 2]" 1
856 1 99 LYS H 1 100 SER H 3.000 . 3.500 2.728 2.664 2.791 . 0 0 "[ . 1 . 2]" 1
857 1 99 LYS HA 1 101 VAL H 4.650 . 5.150 4.684 4.657 4.714 . 0 0 "[ . 1 . 2]" 1
858 1 99 LYS HA 1 102 HIS H 4.500 . 5.000 4.523 4.493 4.565 . 0 0 "[ . 1 . 2]" 1
859 1 99 LYS QB 1 100 SER QB 5.430 . 5.930 4.015 3.728 4.403 . 0 0 "[ . 1 . 2]" 1
860 1 100 SER H 1 101 VAL H 3.000 . 3.500 2.660 2.545 2.766 . 0 0 "[ . 1 . 2]" 1
861 1 100 SER H 1 102 HIS H 4.500 . 5.000 4.411 4.265 4.493 . 0 0 "[ . 1 . 2]" 1
862 1 100 SER QB 1 101 VAL MG2 5.060 . 5.560 3.150 2.609 3.754 . 0 0 "[ . 1 . 2]" 1
863 1 101 VAL H 1 102 HIS H 3.000 . 3.500 2.429 2.371 2.474 . 0 0 "[ . 1 . 2]" 1
864 1 101 VAL MG1 1 102 HIS HD2 4.490 . 4.990 3.766 3.760 3.774 . 0 0 "[ . 1 . 2]" 1
865 1 101 VAL MG1 1 102 HIS HE1 3.600 . 4.100 3.017 3.004 3.033 . 0 0 "[ . 1 . 2]" 1
866 1 101 VAL MG2 1 102 HIS HD2 5.790 . 6.290 4.837 4.792 4.851 . 0 0 "[ . 1 . 2]" 1
867 1 102 HIS H 1 103 SER H 3.000 . 3.500 2.288 2.161 2.368 . 0 0 "[ . 1 . 2]" 1
868 1 102 HIS HB3 1 104 GLN H 4.600 . 5.100 4.065 3.481 4.288 . 0 0 "[ . 1 . 2]" 1
869 1 103 SER HB2 1 104 GLN H 4.750 . 5.250 4.375 4.089 4.632 . 0 0 "[ . 1 . 2]" 1
870 1 103 SER HB3 1 104 GLN H 4.840 . 5.340 4.502 4.237 4.690 . 0 0 "[ . 1 . 2]" 1
871 1 104 GLN HB2 1 104 GLN HE21 3.700 . 4.200 3.066 2.649 3.798 . 0 0 "[ . 1 . 2]" 1
872 1 104 GLN HB2 1 112 LEU MD1 3.780 . 4.280 2.425 2.315 2.744 . 0 0 "[ . 1 . 2]" 1
873 1 104 GLN HB2 1 112 LEU MD2 4.670 . 5.170 3.630 2.807 3.922 . 0 0 "[ . 1 . 2]" 1
874 1 104 GLN HB3 1 112 LEU MD1 3.890 . 4.390 2.146 2.065 2.357 . 0 0 "[ . 1 . 2]" 1
875 1 104 GLN HB3 1 112 LEU MD2 4.970 . 5.470 3.729 3.043 3.996 . 0 0 "[ . 1 . 2]" 1
876 1 104 GLN HE21 1 104 GLN HG3 3.260 . 3.760 2.389 2.236 3.377 . 0 0 "[ . 1 . 2]" 1
877 1 104 GLN HE21 1 112 LEU MD2 4.340 . 4.840 3.313 1.789 3.624 0.011 1 0 "[ . 1 . 2]" 1
878 1 104 GLN HE22 1 104 GLN HG3 3.840 . 4.340 3.582 3.518 3.986 . 0 0 "[ . 1 . 2]" 1
879 1 104 GLN HE22 1 112 LEU MD2 4.000 . 4.500 2.568 2.257 3.362 . 0 0 "[ . 1 . 2]" 1
880 1 104 GLN HG2 1 112 LEU MD1 5.100 . 5.600 3.798 3.608 4.273 . 0 0 "[ . 1 . 2]" 1
881 1 104 GLN HG2 1 112 LEU MD2 5.640 . 6.140 4.546 3.791 4.720 . 0 0 "[ . 1 . 2]" 1
882 1 104 GLN HG3 1 112 LEU MD1 5.400 . 5.900 4.000 3.266 4.393 . 0 0 "[ . 1 . 2]" 1
883 1 104 GLN HG3 1 112 LEU MD2 5.640 . 6.140 4.468 2.357 4.737 . 0 0 "[ . 1 . 2]" 1
884 1 105 ASP H 1 105 ASP HB2 3.500 . 4.000 3.014 2.820 3.669 . 0 0 "[ . 1 . 2]" 1
885 1 105 ASP H 1 105 ASP HB3 3.160 . 3.660 2.565 2.386 3.173 . 0 0 "[ . 1 . 2]" 1
886 1 105 ASP HA 1 106 PRO HD2 3.100 . 3.600 2.172 2.055 2.427 . 0 0 "[ . 1 . 2]" 1
887 1 105 ASP HA 1 106 PRO HD3 3.300 . 3.800 2.320 2.080 2.485 . 0 0 "[ . 1 . 2]" 1
888 1 105 ASP HA 1 107 SER H 4.290 . 4.790 3.612 3.450 3.921 . 0 0 "[ . 1 . 2]" 1
889 1 105 ASP HB2 1 106 PRO HD2 4.300 . 4.800 4.051 2.644 4.369 . 0 0 "[ . 1 . 2]" 1
890 1 105 ASP HB2 1 106 PRO HD3 4.750 . 5.250 4.649 4.030 4.812 . 0 0 "[ . 1 . 2]" 1
891 1 105 ASP HB2 1 107 SER H 4.770 . 5.270 4.326 2.561 4.714 . 0 0 "[ . 1 . 2]" 1
892 1 105 ASP HB3 1 107 SER H 4.450 . 4.950 4.198 3.904 4.465 . 0 0 "[ . 1 . 2]" 1
893 1 106 PRO HA 1 112 LEU MD1 3.300 . 3.800 2.730 2.340 2.787 . 0 0 "[ . 1 . 2]" 1
894 1 106 PRO QB 1 113 TYR QD 4.910 . 5.410 2.587 2.307 3.914 . 0 0 "[ . 1 . 2]" 1
895 1 106 PRO QB 1 113 TYR QE 5.040 . 5.540 2.684 2.269 3.763 . 0 0 "[ . 1 . 2]" 1
896 1 107 SER H 1 107 SER HB2 2.900 . 3.400 2.562 2.391 2.714 . 0 0 "[ . 1 . 2]" 1
897 1 107 SER H 1 107 SER HB3 3.100 . 3.600 2.577 2.455 2.739 . 0 0 "[ . 1 . 2]" 1
898 1 107 SER H 1 108 GLY H 3.200 . 3.700 2.585 2.424 3.023 . 0 0 "[ . 1 . 2]" 1
899 1 107 SER HB3 1 108 GLY H 3.650 . 4.150 3.380 2.889 3.765 . 0 0 "[ . 1 . 2]" 1
900 1 108 GLY QA 1 110 SER H 5.330 . 5.830 3.564 3.083 4.592 . 0 0 "[ . 1 . 2]" 1
901 1 109 ASP HB2 1 110 SER H 4.680 . 5.180 4.414 4.024 4.648 . 0 0 "[ . 1 . 2]" 1
902 1 109 ASP HB3 1 110 SER H 4.500 . 5.000 4.301 4.032 4.592 . 0 0 "[ . 1 . 2]" 1
903 1 110 SER H 1 110 SER QB 3.510 . 4.010 2.616 2.343 3.218 . 0 0 "[ . 1 . 2]" 1
904 1 110 SER H 1 111 LYS H 3.200 . 3.700 2.502 2.270 2.823 . 0 0 "[ . 1 . 2]" 1
905 1 110 SER QB 1 112 LEU MD1 4.690 . 5.190 2.388 1.965 3.487 . 0 0 "[ . 1 . 2]" 1
906 1 110 SER QB 1 112 LEU MD2 4.080 . 4.580 2.788 2.289 3.056 . 0 0 "[ . 1 . 2]" 1
907 1 110 SER QB 1 112 LEU HG 3.850 . 4.350 2.311 2.067 2.841 . 0 0 "[ . 1 . 2]" 1
908 1 111 LYS H 1 111 LYS HG2 3.800 . 4.300 3.305 2.153 3.844 . 0 0 "[ . 1 . 2]" 1
909 1 111 LYS H 1 111 LYS HG3 4.300 . 4.800 3.384 2.524 4.428 . 0 0 "[ . 1 . 2]" 1
910 1 111 LYS HA 1 112 LEU H 3.020 . 3.520 2.419 2.190 2.759 . 0 0 "[ . 1 . 2]" 1
911 1 113 TYR HA 1 114 ARG H 2.700 . 3.200 2.356 2.275 2.430 . 0 0 "[ . 1 . 2]" 1
912 1 113 TYR HB2 1 114 ARG H 4.060 . 4.560 2.634 2.485 2.825 . 0 0 "[ . 1 . 2]" 1
913 1 113 TYR HB3 1 114 ARG H 4.280 . 4.780 3.965 3.837 4.115 . 0 0 "[ . 1 . 2]" 1
914 1 113 TYR QD 1 115 LEU H 5.320 . 5.820 3.971 3.508 4.238 . 0 0 "[ . 1 . 2]" 1
915 1 113 TYR QE 1 115 LEU H 5.100 . 5.600 4.329 3.707 4.578 . 0 0 "[ . 1 . 2]" 1
916 1 114 ARG H 1 114 ARG HB2 3.960 . 4.460 3.093 2.934 3.227 . 0 0 "[ . 1 . 2]" 1
917 1 114 ARG H 1 114 ARG HB3 3.940 . 4.440 2.790 2.555 2.959 . 0 0 "[ . 1 . 2]" 1
918 1 114 ARG H 1 114 ARG HD2 5.250 . 5.750 5.292 5.176 5.343 . 0 0 "[ . 1 . 2]" 1
919 1 114 ARG H 1 114 ARG HG2 4.850 . 5.350 4.620 4.359 4.758 . 0 0 "[ . 1 . 2]" 1
920 1 114 ARG H 1 114 ARG HG3 4.700 . 5.200 4.729 4.628 4.760 . 0 0 "[ . 1 . 2]" 1
921 1 114 ARG HA 1 115 LEU H 2.700 . 3.200 2.203 2.155 2.264 . 0 0 "[ . 1 . 2]" 1
922 1 114 ARG HB2 1 115 LEU H 4.470 . 4.970 4.232 4.109 4.388 . 0 0 "[ . 1 . 2]" 1
923 1 114 ARG HB3 1 115 LEU H 4.500 . 5.000 4.073 3.906 4.242 . 0 0 "[ . 1 . 2]" 1
924 1 114 ARG HD2 1 116 HIS HE1 5.100 . 5.600 4.732 3.466 5.113 . 0 0 "[ . 1 . 2]" 1
925 1 114 ARG HD3 1 115 LEU H 5.420 . 5.920 5.264 5.015 5.475 . 0 0 "[ . 1 . 2]" 1
926 1 114 ARG HD3 1 116 HIS HE1 4.160 . 4.660 3.237 2.865 4.175 . 0 0 "[ . 1 . 2]" 1
927 1 114 ARG HG2 1 115 LEU H 4.000 . 4.500 2.981 2.676 3.484 . 0 0 "[ . 1 . 2]" 1
928 1 114 ARG HG2 1 116 HIS HE1 4.320 . 4.820 4.299 3.920 4.349 . 0 0 "[ . 1 . 2]" 1
929 1 114 ARG HG3 1 115 LEU H 4.730 . 5.230 3.052 2.770 3.391 . 0 0 "[ . 1 . 2]" 1
930 1 115 LEU MD1 3 10 DC H5' 5.100 . 5.600 4.243 3.905 4.336 . 0 0 "[ . 1 . 2]" 1
931 1 115 LEU MD1 3 10 DC H5'' 6.000 . 6.500 2.810 2.442 2.920 . 0 0 "[ . 1 . 2]" 1
932 1 116 HIS H 1 116 HIS HD2 4.390 . 4.890 3.184 2.686 3.713 . 0 0 "[ . 1 . 2]" 1
933 1 117 PRO HA 1 129 LEU MD1 4.060 . 4.560 3.422 3.383 3.448 . 0 0 "[ . 1 . 2]" 1
934 1 117 PRO HA 1 129 LEU MD2 6.080 . 6.580 3.949 3.403 4.206 . 0 0 "[ . 1 . 2]" 1
935 1 117 PRO HB3 1 130 SER HA 5.000 . 5.500 4.755 3.539 5.064 . 0 0 "[ . 1 . 2]" 1
936 1 117 PRO HG2 1 130 SER HA 5.000 . 5.500 4.744 3.961 5.086 . 0 0 "[ . 1 . 2]" 1
937 1 117 PRO HG3 1 130 SER HA 4.370 . 4.870 3.822 3.323 4.423 . 0 0 "[ . 1 . 2]" 1
938 1 118 CYS H 1 118 CYS HB2 3.650 . 4.150 2.744 2.238 2.969 . 0 0 "[ . 1 . 2]" 1
939 1 118 CYS H 1 118 CYS HB3 3.590 . 4.090 2.637 2.435 3.625 . 0 0 "[ . 1 . 2]" 1
940 1 118 CYS HB2 1 123 ILE MD 3.830 . 4.330 2.923 2.269 3.238 . 0 0 "[ . 1 . 2]" 1
941 1 118 CYS HB3 1 123 ILE MD 3.480 . 3.980 2.234 1.944 2.904 . 0 0 "[ . 1 . 2]" 1
942 1 118 CYS HB3 1 125 GLN HE22 3.750 . 4.250 3.202 2.531 3.807 . 0 0 "[ . 1 . 2]" 1
943 1 119 ARG H 1 119 ARG HB3 3.790 . 4.290 3.254 2.989 3.792 . 0 0 "[ . 1 . 2]" 1
944 1 119 ARG H 1 119 ARG QD 5.330 . 5.830 3.686 1.978 4.357 . 0 0 "[ . 1 . 2]" 1
945 1 119 ARG H 1 119 ARG HG2 3.790 . 4.290 2.632 1.934 3.969 . 0 0 "[ . 1 . 2]" 1
946 1 119 ARG H 1 119 ARG HG3 4.770 . 5.270 3.229 2.496 4.100 . 0 0 "[ . 1 . 2]" 1
947 1 119 ARG H 1 121 LEU H 4.130 . 4.630 4.007 3.872 4.172 . 0 0 "[ . 1 . 2]" 1
948 1 119 ARG HA 1 121 LEU H 4.250 . 4.750 3.879 3.518 4.245 . 0 0 "[ . 1 . 2]" 1
949 1 119 ARG HB2 1 120 SER H 4.540 . 5.040 3.919 2.658 4.358 . 0 0 "[ . 1 . 2]" 1
950 1 119 ARG HB3 1 120 SER H 4.700 . 5.200 4.224 3.825 4.456 . 0 0 "[ . 1 . 2]" 1
951 1 119 ARG HG3 1 120 SER H 4.700 . 5.200 3.586 2.497 4.817 . 0 0 "[ . 1 . 2]" 1
952 1 120 SER H 1 121 LEU H 3.020 . 3.520 2.727 2.669 2.809 . 0 0 "[ . 1 . 2]" 1
953 1 120 SER HB2 1 121 LEU H 4.920 . 5.420 3.516 2.960 4.107 . 0 0 "[ . 1 . 2]" 1
954 1 120 SER HB3 1 121 LEU H 5.180 . 5.680 4.125 3.969 4.298 . 0 0 "[ . 1 . 2]" 1
955 1 121 LEU H 1 121 LEU HB2 3.900 . 4.400 3.821 2.591 3.912 . 0 0 "[ . 1 . 2]" 1
956 1 121 LEU H 1 121 LEU HB3 3.500 . 4.000 3.475 3.390 3.639 . 0 0 "[ . 1 . 2]" 1
957 1 121 LEU HA 1 122 GLN H 2.970 . 3.470 2.457 2.402 2.523 . 0 0 "[ . 1 . 2]" 1
958 1 121 LEU HB2 1 122 GLN H 3.110 . 3.610 2.441 2.263 3.208 . 0 0 "[ . 1 . 2]" 1
959 1 121 LEU MD1 1 122 GLN H 4.250 . 4.750 3.494 3.259 3.596 . 0 0 "[ . 1 . 2]" 1
960 1 121 LEU MD1 1 123 ILE MG 3.320 . 3.820 2.053 1.948 2.341 . 0 0 "[ . 1 . 2]" 1
961 1 122 GLN H 1 122 GLN HB2 3.870 . 4.370 3.145 2.200 3.639 . 0 0 "[ . 1 . 2]" 1
962 1 122 GLN H 1 122 GLN HB3 3.260 . 3.760 3.062 2.630 3.524 . 0 0 "[ . 1 . 2]" 1
963 1 122 GLN H 1 122 GLN HG2 3.400 . 3.900 2.420 1.949 3.442 . 0 0 "[ . 1 . 2]" 1
964 1 122 GLN HA 1 123 ILE H 2.790 . 3.290 2.171 2.138 2.332 . 0 0 "[ . 1 . 2]" 1
965 1 122 GLN HE21 1 122 GLN HG3 3.480 . 3.980 2.539 2.350 2.788 . 0 0 "[ . 1 . 2]" 1
966 1 123 ILE HB 1 124 ARG H 3.570 . 4.070 2.294 2.171 2.397 . 0 0 "[ . 1 . 2]" 1
967 1 123 ILE MD 1 125 GLN HE21 4.680 . 5.180 3.232 2.410 3.928 . 0 0 "[ . 1 . 2]" 1
968 1 123 ILE MD 1 125 GLN HE22 4.560 . 5.060 2.597 2.089 3.132 . 0 0 "[ . 1 . 2]" 1
969 1 123 ILE MD 3 9 DG H3' 3.900 . 4.400 2.873 2.499 3.257 . 0 0 "[ . 1 . 2]" 1
970 1 123 ILE MD 3 9 DG H4' 5.100 . 5.600 3.308 2.860 3.650 . 0 0 "[ . 1 . 2]" 1
971 1 123 ILE MD 3 9 DG H5' 4.800 . 5.300 3.970 3.722 4.030 . 0 0 "[ . 1 . 2]" 1
972 1 123 ILE MD 3 9 DG H5'' 6.300 . 6.800 2.535 2.363 2.809 . 0 0 "[ . 1 . 2]" 1
973 1 123 ILE HG12 1 125 GLN HE21 4.410 . 4.910 3.502 3.194 4.040 . 0 0 "[ . 1 . 2]" 1
974 1 123 ILE HG12 1 125 GLN HE22 4.300 . 4.800 3.563 2.738 4.334 . 0 0 "[ . 1 . 2]" 1
975 1 123 ILE HG13 1 125 GLN HE21 4.650 . 5.150 2.479 2.021 2.917 . 0 0 "[ . 1 . 2]" 1
976 1 123 ILE HG13 1 125 GLN HE22 4.680 . 5.180 2.996 2.736 3.239 . 0 0 "[ . 1 . 2]" 1
977 1 123 ILE HG13 1 125 GLN HG2 4.000 . 4.500 3.154 2.691 3.465 . 0 0 "[ . 1 . 2]" 1
978 1 123 ILE HG13 1 125 GLN HG3 4.500 . 5.000 4.377 3.903 4.646 . 0 0 "[ . 1 . 2]" 1
979 1 123 ILE MG 1 125 GLN HE21 5.880 . 6.380 4.763 4.538 4.923 . 0 0 "[ . 1 . 2]" 1
980 1 123 ILE MG 1 125 GLN HE22 5.880 . 6.380 4.881 4.660 5.001 . 0 0 "[ . 1 . 2]" 1
981 1 123 ILE MG 3 9 DG H3' 5.400 . 5.900 4.032 3.619 4.428 . 0 0 "[ . 1 . 2]" 1
982 1 123 ILE MG 3 9 DG H5' 5.700 . 6.200 4.281 3.862 4.432 . 0 0 "[ . 1 . 2]" 1
983 1 123 ILE MG 3 9 DG H5'' 6.610 . 7.110 3.074 2.679 3.281 . 0 0 "[ . 1 . 2]" 1
984 1 124 ARG H 1 124 ARG HB2 3.990 . 4.490 3.658 3.638 3.690 . 0 0 "[ . 1 . 2]" 1
985 1 124 ARG H 1 124 ARG HB3 3.160 . 3.660 2.605 2.516 2.697 . 0 0 "[ . 1 . 2]" 1
986 1 124 ARG H 1 124 ARG HG2 3.030 . 3.530 2.212 2.133 2.534 . 0 0 "[ . 1 . 2]" 1
987 1 124 ARG H 1 124 ARG HG3 4.160 . 4.660 3.422 2.808 3.616 . 0 0 "[ . 1 . 2]" 1
988 1 124 ARG H 3 9 DG H4' 4.750 . 5.250 4.703 4.303 4.794 . 0 0 "[ . 1 . 2]" 1
989 1 124 ARG H 3 9 DG H5' 3.500 . 4.000 3.585 3.546 3.626 . 0 0 "[ . 1 . 2]" 1
990 1 124 ARG H 3 9 DG H5'' 4.000 . 4.500 3.490 3.286 3.803 . 0 0 "[ . 1 . 2]" 1
991 1 124 ARG HA 1 125 GLN H 3.030 . 3.530 2.249 2.169 2.610 . 0 0 "[ . 1 . 2]" 1
992 1 124 ARG HB2 1 125 GLN H 3.910 . 4.410 2.987 2.158 3.224 . 0 0 "[ . 1 . 2]" 1
993 1 124 ARG HB3 1 125 GLN H 4.250 . 4.750 4.149 3.660 4.278 . 0 0 "[ . 1 . 2]" 1
994 1 124 ARG HE 1 126 TYR QE 4.550 . 5.050 2.998 2.429 3.260 . 0 0 "[ . 1 . 2]" 1
995 1 124 ARG HE 3 9 DG H4' 3.250 . 3.750 2.992 2.639 3.324 . 0 0 "[ . 1 . 2]" 1
996 1 124 ARG HE 3 9 DG H5' 3.750 . 4.250 2.645 2.306 3.482 . 0 0 "[ . 1 . 2]" 1
997 1 124 ARG HG2 1 125 GLN H 4.850 . 5.350 4.810 4.417 4.879 . 0 0 "[ . 1 . 2]" 1
998 1 124 ARG HG3 1 125 GLN H 3.980 . 4.480 3.927 3.218 4.066 . 0 0 "[ . 1 . 2]" 1
999 1 125 GLN HA 1 126 TYR H 3.070 . 3.570 2.205 2.112 2.299 . 0 0 "[ . 1 . 2]" 1
1000 1 125 GLN QB 1 126 TYR H 4.250 . 4.750 3.476 2.645 3.805 . 0 0 "[ . 1 . 2]" 1
1001 1 125 GLN HE21 1 125 GLN HG3 3.050 . 3.550 2.980 2.657 3.332 . 0 0 "[ . 1 . 2]" 1
1002 1 125 GLN HE22 1 125 GLN HG2 3.750 . 4.250 3.552 3.480 3.628 . 0 0 "[ . 1 . 2]" 1
1003 1 126 TYR H 1 126 TYR QD 4.820 . 5.320 2.357 1.973 2.751 . 0 0 "[ . 1 . 2]" 1
1004 1 126 TYR H 1 126 TYR QE 6.170 . 6.670 4.239 3.856 4.628 . 0 0 "[ . 1 . 2]" 1
1005 1 126 TYR H 1 129 LEU MD2 4.680 . 5.180 2.222 1.653 2.897 0.147 20 0 "[ . 1 . 2]" 1
1006 1 126 TYR HA 1 127 ALA H 3.070 . 3.570 2.287 2.214 2.376 . 0 0 "[ . 1 . 2]" 1
1007 1 126 TYR HB2 1 128 TYR QD 3.480 . 3.980 3.152 3.064 3.195 . 0 0 "[ . 1 . 2]" 1
1008 1 126 TYR HB2 1 128 TYR QE 3.730 . 4.230 3.057 2.954 3.143 . 0 0 "[ . 1 . 2]" 1
1009 1 126 TYR HB2 1 129 LEU MD2 5.760 . 6.260 2.015 1.917 2.202 . 0 0 "[ . 1 . 2]" 1
1010 1 126 TYR HB3 1 128 TYR QD 4.210 . 4.710 2.552 2.163 3.264 . 0 0 "[ . 1 . 2]" 1
1011 1 126 TYR HB3 1 129 LEU MD1 6.000 . 6.500 5.098 5.031 5.148 . 0 0 "[ . 1 . 2]" 1
1012 1 126 TYR HB3 1 129 LEU MD2 4.380 . 4.880 3.404 3.132 3.680 . 0 0 "[ . 1 . 2]" 1
1013 1 126 TYR QD 1 128 TYR QD 5.040 . 5.540 3.958 3.708 4.035 . 0 0 "[ . 1 . 2]" 1
1014 1 126 TYR QD 1 128 TYR QE 4.720 . 5.220 3.121 2.875 3.360 . 0 0 "[ . 1 . 2]" 1
1015 1 126 TYR QD 1 129 LEU MD2 5.060 . 5.560 2.255 2.022 2.599 . 0 0 "[ . 1 . 2]" 1
1016 1 126 TYR QD 2 13 DA H1' 4.600 . 5.100 3.213 2.661 3.982 . 0 0 "[ . 1 . 2]" 1
1017 1 126 TYR QD 2 13 DA H3' 5.890 . 6.390 4.208 3.966 4.549 . 0 0 "[ . 1 . 2]" 1
1018 1 126 TYR QD 2 13 DA H4' 3.420 . 3.920 2.359 2.181 2.650 . 0 0 "[ . 1 . 2]" 1
1019 1 126 TYR QD 3 9 DG H1' 5.160 . 5.660 4.515 4.256 4.633 . 0 0 "[ . 1 . 2]" 1
1020 1 126 TYR QD 3 9 DG H3' 6.450 . 6.950 5.614 5.271 5.768 . 0 0 "[ . 1 . 2]" 1
1021 1 126 TYR QD 3 9 DG H4' 4.210 . 4.710 3.614 3.483 3.724 . 0 0 "[ . 1 . 2]" 1
1022 1 126 TYR QD 3 10 DC H5' 5.890 . 6.390 3.400 2.977 3.778 . 0 0 "[ . 1 . 2]" 1
1023 1 126 TYR QD 3 10 DC H5'' 5.050 . 5.550 4.194 3.789 4.534 . 0 0 "[ . 1 . 2]" 1
1024 1 126 TYR QE 1 129 LEU MD2 6.670 . 7.170 4.015 3.626 4.439 . 0 0 "[ . 1 . 2]" 1
1025 1 126 TYR QE 2 13 DA H1' 3.370 . 3.870 2.066 1.947 2.161 . 0 0 "[ . 1 . 2]" 1
1026 1 126 TYR QE 2 13 DA H2 5.720 . 6.220 4.470 4.087 5.102 . 0 0 "[ . 1 . 2]" 1
1027 1 126 TYR QE 2 13 DA H3' 5.610 . 6.110 5.038 4.670 5.143 . 0 0 "[ . 1 . 2]" 1
1028 1 126 TYR QE 2 13 DA H4' 3.700 . 4.200 3.175 2.615 3.303 . 0 0 "[ . 1 . 2]" 1
1029 1 126 TYR QE 3 9 DG H1' 3.650 . 4.150 2.475 2.284 2.761 . 0 0 "[ . 1 . 2]" 1
1030 1 126 TYR QE 3 9 DG H3' 5.330 . 5.830 4.343 4.084 4.770 . 0 0 "[ . 1 . 2]" 1
1031 1 126 TYR QE 3 9 DG H4' 3.650 . 4.150 2.245 2.055 2.538 . 0 0 "[ . 1 . 2]" 1
1032 1 126 TYR QE 3 9 DG H5' 4.380 . 4.880 4.043 3.989 4.108 . 0 0 "[ . 1 . 2]" 1
1033 1 126 TYR QE 3 9 DG H5'' 5.500 . 6.000 4.561 4.394 4.756 . 0 0 "[ . 1 . 2]" 1
1034 1 126 TYR QE 3 10 DC H5'' 5.050 . 5.550 4.502 4.310 4.585 . 0 0 "[ . 1 . 2]" 1
1035 1 127 ALA H 1 127 ALA MB 3.090 . 3.590 2.221 2.207 2.241 . 0 0 "[ . 1 . 2]" 1
1036 1 127 ALA H 1 128 TYR H 3.000 . 3.500 2.846 2.770 2.982 . 0 0 "[ . 1 . 2]" 1
1037 1 127 ALA HA 1 130 SER HB2 3.570 . 4.070 2.590 2.072 2.961 . 0 0 "[ . 1 . 2]" 1
1038 1 127 ALA HA 1 130 SER HB3 3.670 . 4.170 2.963 2.292 3.783 . 0 0 "[ . 1 . 2]" 1
1039 1 127 ALA MB 1 128 TYR H 3.900 . 4.400 3.182 3.068 3.235 . 0 0 "[ . 1 . 2]" 1
1040 1 127 ALA MB 1 130 SER H 5.460 . 5.960 4.305 4.106 4.502 . 0 0 "[ . 1 . 2]" 1
1041 1 127 ALA MB 1 130 SER HB2 5.030 . 5.530 3.939 3.103 4.241 . 0 0 "[ . 1 . 2]" 1
1042 1 127 ALA MB 1 130 SER HB3 5.120 . 5.620 3.868 3.448 4.350 . 0 0 "[ . 1 . 2]" 1
1043 1 128 TYR H 1 128 TYR QD 4.020 . 4.520 2.608 2.334 3.079 . 0 0 "[ . 1 . 2]" 1
1044 1 128 TYR H 1 128 TYR QE 6.170 . 6.670 4.352 4.206 4.536 . 0 0 "[ . 1 . 2]" 1
1045 1 128 TYR H 1 129 LEU H 2.800 . 3.300 2.366 2.199 2.505 . 0 0 "[ . 1 . 2]" 1
1046 1 128 TYR HA 1 130 SER H 4.400 . 4.900 4.255 4.003 4.432 . 0 0 "[ . 1 . 2]" 1
1047 1 128 TYR QD 1 129 LEU MD1 4.490 . 4.990 2.310 2.048 2.807 . 0 0 "[ . 1 . 2]" 1
1048 1 128 TYR QD 2 13 DA H4' 5.050 . 5.550 3.661 2.686 4.513 . 0 0 "[ . 1 . 2]" 1
1049 1 128 TYR QE 1 129 LEU MD1 4.030 . 4.530 2.704 2.457 3.006 . 0 0 "[ . 1 . 2]" 1
1050 1 128 TYR QE 2 13 DA H3' 6.450 . 6.950 5.359 4.754 5.772 . 0 0 "[ . 1 . 2]" 1
1051 1 128 TYR QE 2 13 DA H4' 5.050 . 5.550 2.790 2.264 3.338 . 0 0 "[ . 1 . 2]" 1
1052 1 129 LEU H 1 129 LEU HB2 3.070 . 3.570 2.489 2.233 2.603 . 0 0 "[ . 1 . 2]" 1
1053 1 129 LEU H 1 129 LEU HB3 3.750 . 4.250 3.631 3.449 3.683 . 0 0 "[ . 1 . 2]" 1
1054 1 129 LEU H 1 130 SER H 2.800 . 3.300 2.219 2.087 2.330 . 0 0 "[ . 1 . 2]" 1
1055 1 129 LEU HA 1 129 LEU MD1 3.720 . 4.220 2.168 2.055 2.296 . 0 0 "[ . 1 . 2]" 1
1056 1 130 SER H 1 130 SER HB2 3.350 . 3.850 2.347 2.103 2.474 . 0 0 "[ . 1 . 2]" 1
1057 1 130 SER H 1 131 ASP H 3.350 . 3.850 2.827 2.544 3.349 . 0 0 "[ . 1 . 2]" 1
1058 1 131 ASP H 1 131 ASP HB2 3.250 . 3.750 2.844 2.314 3.260 . 0 0 "[ . 1 . 2]" 1
1059 1 131 ASP H 1 131 ASP HB3 3.280 . 3.780 2.776 2.446 3.102 . 0 0 "[ . 1 . 2]" 1
1060 1 131 ASP HA 1 132 ARG H 3.030 . 3.530 2.336 2.157 2.538 . 0 0 "[ . 1 . 2]" 1
1061 1 131 ASP HB2 1 132 ARG H 4.240 . 4.740 4.066 3.862 4.289 . 0 0 "[ . 1 . 2]" 1
1062 1 131 ASP HB3 1 132 ARG H 4.060 . 4.560 3.765 3.303 4.138 . 0 0 "[ . 1 . 2]" 1
1063 1 132 ARG H 1 132 ARG HB2 3.950 . 4.450 2.950 2.265 3.947 . 0 0 "[ . 1 . 2]" 1
1064 1 132 ARG H 1 132 ARG HB3 3.290 . 3.790 2.842 2.364 3.528 . 0 0 "[ . 1 . 2]" 1
1065 1 132 ARG HA 1 133 SER H 3.130 . 3.630 2.242 2.151 2.393 . 0 0 "[ . 1 . 2]" 1
1066 1 132 ARG HB2 1 133 SER H 4.400 . 4.900 3.837 2.556 4.455 . 0 0 "[ . 1 . 2]" 1
1067 1 132 ARG HB3 1 133 SER H 4.550 . 5.050 3.953 2.773 4.407 . 0 0 "[ . 1 . 2]" 1
1068 2 1 DG C1' 3 19 DC C1' 10.750 10.400 11.250 10.706 10.695 10.715 . 0 0 "[ . 1 . 2]" 1
1069 2 1 DG H1' 2 2 DT H6 3.750 . 4.250 3.761 3.752 3.781 . 0 0 "[ . 1 . 2]" 1
1070 2 1 DG H1' 2 2 DT M7 5.100 . 5.600 3.867 3.771 3.896 . 0 0 "[ . 1 . 2]" 1
1071 2 1 DG H2'' 2 2 DT H6 4.500 . 5.000 2.246 2.199 2.362 . 0 0 "[ . 1 . 2]" 1
1072 2 1 DG H2'' 2 2 DT M7 3.600 . 4.100 2.476 2.391 2.510 . 0 0 "[ . 1 . 2]" 1
1073 2 1 DG H3' 2 1 DG H8 4.500 . 5.000 4.334 4.311 4.435 . 0 0 "[ . 1 . 2]" 1
1074 2 1 DG H3' 2 2 DT H6 5.250 . 5.750 4.816 4.786 4.924 . 0 0 "[ . 1 . 2]" 1
1075 2 1 DG H3' 2 2 DT M7 4.800 . 5.300 4.019 4.012 4.054 . 0 0 "[ . 1 . 2]" 1
1076 2 1 DG H8 2 2 DT H6 5.500 . 6.000 5.507 5.500 5.525 . 0 0 "[ . 1 . 2]" 1
1077 2 1 DG H8 2 2 DT M7 4.200 . 4.700 3.053 2.996 3.081 . 0 0 "[ . 1 . 2]" 1
1078 2 1 DG N1 3 19 DC N3 3.000 2.700 3.500 2.937 2.930 2.940 . 0 0 "[ . 1 . 2]" 1
1079 2 1 DG N2 3 19 DC O2 3.000 2.700 3.500 2.827 2.822 2.835 . 0 0 "[ . 1 . 2]" 1
1080 2 1 DG O6 3 19 DC N4 3.000 2.700 3.500 2.893 2.884 2.899 . 0 0 "[ . 1 . 2]" 1
1081 2 2 DT C1' 3 18 DA C1' 10.750 10.400 11.250 10.751 10.686 10.764 . 0 0 "[ . 1 . 2]" 1
1082 2 2 DT H1' 2 3 DG H8 4.250 . 4.750 3.847 3.544 4.070 . 0 0 "[ . 1 . 2]" 1
1083 2 2 DT H2' 2 3 DG H8 3.000 . 3.500 2.997 2.742 3.013 . 0 0 "[ . 1 . 2]" 1
1084 2 2 DT H3 3 18 DA H2 2.750 . 3.250 2.776 2.764 2.782 . 0 0 "[ . 1 . 2]" 1
1085 2 2 DT H3 3 18 DA N1 2.000 . 2.500 1.878 1.856 1.884 . 0 0 "[ . 1 . 2]" 1
1086 2 2 DT H3' 2 2 DT H6 4.250 . 4.750 4.020 3.887 4.174 . 0 0 "[ . 1 . 2]" 1
1087 2 2 DT H3' 2 3 DG H8 5.000 . 5.500 4.856 4.585 4.960 . 0 0 "[ . 1 . 2]" 1
1088 2 2 DT H6 2 3 DG H8 4.500 . 5.000 4.092 3.869 4.377 . 0 0 "[ . 1 . 2]" 1
1089 2 2 DT N3 3 18 DA N1 3.000 2.700 3.500 2.883 2.864 2.892 . 0 0 "[ . 1 . 2]" 1
1090 2 2 DT O4 3 18 DA N6 3.000 2.700 3.500 2.863 2.856 2.878 . 0 0 "[ . 1 . 2]" 1
1091 2 3 DG C1' 3 17 DC C1' 10.750 10.400 11.250 10.711 10.671 10.756 . 0 0 "[ . 1 . 2]" 1
1092 2 3 DG H1 3 17 DC H1' 5.250 . 5.750 5.005 4.963 5.039 . 0 0 "[ . 1 . 2]" 1
1093 2 3 DG H1 3 17 DC H41 3.000 . 3.500 2.585 2.547 2.620 . 0 0 "[ . 1 . 2]" 1
1094 2 3 DG H1 3 17 DC H42 4.500 . 5.000 4.094 4.063 4.120 . 0 0 "[ . 1 . 2]" 1
1095 2 3 DG H1 3 17 DC H5 5.250 . 5.750 5.088 5.071 5.102 . 0 0 "[ . 1 . 2]" 1
1096 2 3 DG H1' 2 4 DC H5 4.250 . 4.750 4.225 3.998 4.269 . 0 0 "[ . 1 . 2]" 1
1097 2 3 DG H1' 2 4 DC H6 3.500 . 4.000 3.459 3.150 3.515 . 0 0 "[ . 1 . 2]" 1
1098 2 3 DG H2'' 2 4 DC H6 3.750 . 4.250 2.135 2.122 2.160 . 0 0 "[ . 1 . 2]" 1
1099 2 3 DG H3' 2 3 DG H8 4.750 . 5.250 4.458 4.363 4.489 . 0 0 "[ . 1 . 2]" 1
1100 2 3 DG H3' 2 4 DC H6 4.750 . 5.250 4.790 4.768 4.804 . 0 0 "[ . 1 . 2]" 1
1101 2 3 DG H8 2 4 DC H5 4.000 . 4.500 3.804 3.667 3.870 . 0 0 "[ . 1 . 2]" 1
1102 2 3 DG H8 2 4 DC H6 5.250 . 5.750 5.215 5.065 5.268 . 0 0 "[ . 1 . 2]" 1
1103 2 3 DG N1 3 17 DC N3 3.000 2.700 3.500 2.900 2.889 2.910 . 0 0 "[ . 1 . 2]" 1
1104 2 3 DG N2 3 17 DC O2 3.000 2.700 3.500 2.814 2.797 2.839 . 0 0 "[ . 1 . 2]" 1
1105 2 3 DG O6 3 17 DC N4 3.000 2.700 3.500 2.843 2.829 2.852 . 0 0 "[ . 1 . 2]" 1
1106 2 4 DC C1' 3 16 DG C1' 10.750 10.400 11.250 10.695 10.650 10.720 . 0 0 "[ . 1 . 2]" 1
1107 2 4 DC H1' 2 5 DT H6 4.250 . 4.750 3.913 3.638 4.175 . 0 0 "[ . 1 . 2]" 1
1108 2 4 DC H1' 2 5 DT M7 5.400 . 5.900 4.424 3.829 4.523 . 0 0 "[ . 1 . 2]" 1
1109 2 4 DC H1' 3 16 DG H1 5.500 . 6.000 5.023 4.990 5.050 . 0 0 "[ . 1 . 2]" 1
1110 2 4 DC H3' 2 4 DC H6 4.250 . 4.750 4.071 3.979 4.256 . 0 0 "[ . 1 . 2]" 1
1111 2 4 DC H3' 2 5 DT M7 6.000 . 6.500 4.586 4.134 4.780 . 0 0 "[ . 1 . 2]" 1
1112 2 4 DC H41 3 16 DG H1 3.000 . 3.500 2.524 2.511 2.544 . 0 0 "[ . 1 . 2]" 1
1113 2 4 DC H42 3 16 DG H1 4.000 . 4.500 4.037 4.028 4.046 . 0 0 "[ . 1 . 2]" 1
1114 2 4 DC H5 2 5 DT M7 5.100 . 5.600 3.063 2.743 3.578 . 0 0 "[ . 1 . 2]" 1
1115 2 4 DC H5 3 16 DG H1 5.250 . 5.750 5.057 5.043 5.066 . 0 0 "[ . 1 . 2]" 1
1116 2 4 DC H6 2 5 DT M7 4.320 . 4.820 3.168 2.841 3.306 . 0 0 "[ . 1 . 2]" 1
1117 2 4 DC N3 3 16 DG N1 3.000 2.700 3.500 2.891 2.867 2.904 . 0 0 "[ . 1 . 2]" 1
1118 2 4 DC N4 3 16 DG O6 3.000 2.700 3.500 2.837 2.827 2.855 . 0 0 "[ . 1 . 2]" 1
1119 2 4 DC O2 3 16 DG N2 3.000 2.700 3.500 2.796 2.781 2.806 . 0 0 "[ . 1 . 2]" 1
1120 2 5 DT C1' 3 15 DA C1' 10.550 10.400 11.050 10.606 10.552 10.645 . 0 0 "[ . 1 . 2]" 1
1121 2 5 DT H1' 2 6 DT H6 4.000 . 4.500 3.984 3.637 4.029 . 0 0 "[ . 1 . 2]" 1
1122 2 5 DT H1' 2 6 DT M7 5.100 . 5.600 4.227 4.006 4.279 . 0 0 "[ . 1 . 2]" 1
1123 2 5 DT H1' 3 16 DG H1 6.000 . 6.500 5.197 4.877 5.956 . 0 0 "[ . 1 . 2]" 1
1124 2 5 DT H3 2 6 DT H3 3.500 . 4.000 3.336 3.255 3.444 . 0 0 "[ . 1 . 2]" 1
1125 2 5 DT H3 3 14 DA H2 5.250 . 5.750 5.248 5.030 5.287 . 0 0 "[ . 1 . 2]" 1
1126 2 5 DT H3 3 15 DA H2 3.000 . 3.500 2.891 2.748 2.952 . 0 0 "[ . 1 . 2]" 1
1127 2 5 DT H3 3 16 DG H1 3.500 . 4.000 3.405 3.257 3.510 . 0 0 "[ . 1 . 2]" 1
1128 2 5 DT H3' 2 5 DT H6 4.250 . 4.750 3.733 3.558 3.942 . 0 0 "[ . 1 . 2]" 1
1129 2 5 DT H3' 2 6 DT H6 5.250 . 5.750 4.762 4.560 5.067 . 0 0 "[ . 1 . 2]" 1
1130 2 5 DT H3' 2 6 DT M7 6.000 . 6.500 4.077 3.865 4.584 . 0 0 "[ . 1 . 2]" 1
1131 2 5 DT H6 2 6 DT M7 5.100 . 5.600 3.112 2.977 3.328 . 0 0 "[ . 1 . 2]" 1
1132 2 5 DT M7 2 6 DT M7 4.760 . 5.260 2.980 2.446 3.308 . 0 0 "[ . 1 . 2]" 1
1133 2 5 DT N3 3 15 DA N1 3.000 2.700 3.500 2.856 2.842 2.874 . 0 0 "[ . 1 . 2]" 1
1134 2 5 DT O4 3 15 DA N6 3.000 2.700 3.500 2.915 2.878 2.989 . 0 0 "[ . 1 . 2]" 1
1135 2 6 DT C1' 3 14 DA C1' 10.750 10.400 11.250 10.739 10.678 10.778 . 0 0 "[ . 1 . 2]" 1
1136 2 6 DT H1' 2 7 DC H6 3.500 . 4.000 3.519 3.396 3.563 . 0 0 "[ . 1 . 2]" 1
1137 2 6 DT H3 3 13 DG H1 4.500 . 5.000 3.964 3.624 4.321 . 0 0 "[ . 1 . 2]" 1
1138 2 6 DT H3 3 14 DA H2 3.300 . 3.800 2.796 2.707 2.894 . 0 0 "[ . 1 . 2]" 1
1139 2 6 DT H3 3 15 DA H2 3.750 . 4.250 3.393 3.198 3.672 . 0 0 "[ . 1 . 2]" 1
1140 2 6 DT H3' 2 6 DT H6 4.250 . 4.750 4.135 3.992 4.231 . 0 0 "[ . 1 . 2]" 1
1141 2 6 DT N3 3 14 DA N1 3.000 2.700 3.500 2.910 2.885 2.922 . 0 0 "[ . 1 . 2]" 1
1142 2 6 DT O4 3 14 DA N6 3.000 2.700 3.500 2.886 2.850 2.952 . 0 0 "[ . 1 . 2]" 1
1143 2 7 DC C1' 3 13 DG C1' 10.950 10.400 11.450 10.684 10.625 10.751 . 0 0 "[ . 1 . 2]" 1
1144 2 7 DC H1' 2 8 DC H42 6.000 . 6.500 6.009 5.960 6.038 . 0 0 "[ . 1 . 2]" 1
1145 2 7 DC H1' 2 8 DC H6 4.000 . 4.500 3.628 3.257 4.018 . 0 0 "[ . 1 . 2]" 1
1146 2 7 DC H1' 3 13 DG H1 5.250 . 5.750 4.942 4.725 5.033 . 0 0 "[ . 1 . 2]" 1
1147 2 7 DC H2' 2 8 DC H42 6.000 . 6.500 5.084 4.665 5.430 . 0 0 "[ . 1 . 2]" 1
1148 2 7 DC H2'' 2 8 DC H42 5.500 . 6.000 5.507 5.372 5.594 . 0 0 "[ . 1 . 2]" 1
1149 2 7 DC H3' 2 7 DC H6 4.500 . 5.000 3.965 3.718 4.313 . 0 0 "[ . 1 . 2]" 1
1150 2 7 DC H3' 2 8 DC H6 5.000 . 5.500 4.690 4.357 4.864 . 0 0 "[ . 1 . 2]" 1
1151 2 7 DC H41 3 13 DG H1 3.000 . 3.500 2.671 2.547 2.961 . 0 0 "[ . 1 . 2]" 1
1152 2 7 DC H42 3 13 DG H1 4.750 . 5.250 4.165 4.041 4.411 . 0 0 "[ . 1 . 2]" 1
1153 2 7 DC H5 3 13 DG H1 6.000 . 6.500 5.127 5.043 5.256 . 0 0 "[ . 1 . 2]" 1
1154 2 7 DC H6 2 8 DC H6 5.000 . 5.500 4.861 4.587 5.045 . 0 0 "[ . 1 . 2]" 1
1155 2 7 DC N3 3 13 DG N1 3.000 2.700 3.500 2.906 2.866 2.939 . 0 0 "[ . 1 . 2]" 1
1156 2 7 DC N4 3 13 DG O6 3.000 2.700 3.500 2.834 2.775 2.890 . 0 0 "[ . 1 . 2]" 1
1157 2 7 DC O2 3 13 DG N2 3.000 2.700 3.500 2.842 2.795 2.897 . 0 0 "[ . 1 . 2]" 1
1158 2 8 DC C1' 3 12 DG C1' 10.650 10.400 11.150 10.593 10.388 10.683 0.012 18 0 "[ . 1 . 2]" 1
1159 2 8 DC H1' 2 9 DT H6 5.000 . 5.500 4.755 4.266 5.021 . 0 0 "[ . 1 . 2]" 1
1160 2 8 DC H2' 2 9 DT H6 3.000 . 3.500 2.923 2.452 3.040 . 0 0 "[ . 1 . 2]" 1
1161 2 8 DC H3' 2 8 DC H6 4.250 . 4.750 3.834 3.428 4.018 . 0 0 "[ . 1 . 2]" 1
1162 2 8 DC H3' 2 9 DT M7 7.210 . 7.710 4.537 3.800 5.182 . 0 0 "[ . 1 . 2]" 1
1163 2 8 DC H41 3 12 DG H1 3.000 . 3.500 2.590 2.369 2.795 . 0 0 "[ . 1 . 2]" 1
1164 2 8 DC H42 2 9 DT M7 6.000 . 6.500 4.045 3.722 4.567 . 0 0 "[ . 1 . 2]" 1
1165 2 8 DC H5 2 9 DT M7 6.000 . 6.500 2.855 2.493 3.326 . 0 0 "[ . 1 . 2]" 1
1166 2 8 DC H5 3 12 DG H1 5.250 . 5.750 5.082 4.974 5.171 . 0 0 "[ . 1 . 2]" 1
1167 2 8 DC H6 2 9 DT H6 5.250 . 5.750 4.676 4.300 5.206 . 0 0 "[ . 1 . 2]" 1
1168 2 8 DC H6 2 9 DT M7 4.200 . 4.700 2.939 2.731 3.246 . 0 0 "[ . 1 . 2]" 1
1169 2 8 DC N3 3 12 DG N1 3.000 2.700 3.500 2.894 2.868 2.912 . 0 0 "[ . 1 . 2]" 1
1170 2 8 DC N4 3 12 DG O6 3.000 2.700 3.500 2.866 2.819 2.932 . 0 0 "[ . 1 . 2]" 1
1171 2 8 DC O2 3 12 DG N2 3.000 2.700 3.500 2.781 2.734 2.814 . 0 0 "[ . 1 . 2]" 1
1172 2 9 DT C1' 3 11 DA C1' 10.750 10.400 11.250 10.517 10.356 10.737 0.044 4 0 "[ . 1 . 2]" 1
1173 2 9 DT H1' 2 10 DG H8 4.000 . 4.500 3.472 3.176 3.738 . 0 0 "[ . 1 . 2]" 1
1174 2 9 DT H3 2 10 DG H1 4.250 . 4.750 3.669 3.371 4.069 . 0 0 "[ . 1 . 2]" 1
1175 2 9 DT H3 3 11 DA H2 3.300 . 3.800 2.906 2.770 3.033 . 0 0 "[ . 1 . 2]" 1
1176 2 9 DT H3 3 12 DG H1 3.750 . 4.250 3.688 3.446 3.793 . 0 0 "[ . 1 . 2]" 1
1177 2 9 DT H6 2 10 DG H8 6.000 . 6.500 5.908 5.716 6.033 . 0 0 "[ . 1 . 2]" 1
1178 2 9 DT N3 3 11 DA N1 3.000 2.700 3.500 2.871 2.827 2.917 . 0 0 "[ . 1 . 2]" 1
1179 2 9 DT O4 3 11 DA N6 3.000 2.700 3.500 2.954 2.864 3.034 . 0 0 "[ . 1 . 2]" 1
1180 2 10 DG C1' 3 10 DC C1' 10.750 10.400 11.250 10.638 10.499 10.756 . 0 0 "[ . 1 . 2]" 1
1181 2 10 DG H1 3 9 DG H1 4.000 . 4.500 3.504 3.354 3.646 . 0 0 "[ . 1 . 2]" 1
1182 2 10 DG H1 3 10 DC H41 3.500 . 4.000 2.789 2.428 3.041 . 0 0 "[ . 1 . 2]" 1
1183 2 10 DG H1 3 10 DC H42 4.500 . 5.000 4.270 3.970 4.477 . 0 0 "[ . 1 . 2]" 1
1184 2 10 DG H1 3 11 DA H2 4.250 . 4.750 4.036 3.747 4.278 . 0 0 "[ . 1 . 2]" 1
1185 2 10 DG H1' 2 11 DC H6 4.000 . 4.500 3.389 3.133 3.681 . 0 0 "[ . 1 . 2]" 1
1186 2 10 DG H2' 2 11 DC H6 5.000 . 5.500 3.380 3.206 3.491 . 0 0 "[ . 1 . 2]" 1
1187 2 10 DG H3' 2 10 DG H8 4.250 . 4.750 4.267 4.251 4.275 . 0 0 "[ . 1 . 2]" 1
1188 2 10 DG H3' 2 11 DC H6 5.250 . 5.750 4.904 4.802 5.015 . 0 0 "[ . 1 . 2]" 1
1189 2 10 DG H8 2 11 DC H6 4.500 . 5.000 4.516 4.433 4.553 . 0 0 "[ . 1 . 2]" 1
1190 2 10 DG N1 3 10 DC N3 3.000 2.700 3.500 2.890 2.868 2.915 . 0 0 "[ . 1 . 2]" 1
1191 2 10 DG N2 3 10 DC O2 3.000 2.700 3.500 2.842 2.781 2.926 . 0 0 "[ . 1 . 2]" 1
1192 2 10 DG O6 3 10 DC N4 3.000 2.700 3.500 2.819 2.739 2.883 . 0 0 "[ . 1 . 2]" 1
1193 2 11 DC C1' 3 9 DG C1' 10.950 10.400 11.450 10.779 10.687 10.860 . 0 0 "[ . 1 . 2]" 1
1194 2 11 DC H3' 2 11 DC H6 4.250 . 4.750 3.914 3.685 4.086 . 0 0 "[ . 1 . 2]" 1
1195 2 11 DC H3' 2 12 DC H6 5.000 . 5.500 4.597 4.421 4.817 . 0 0 "[ . 1 . 2]" 1
1196 2 11 DC H41 3 8 DG H1 4.000 . 4.500 3.562 3.467 3.673 . 0 0 "[ . 1 . 2]" 1
1197 2 11 DC H41 3 9 DG H1 3.500 . 4.000 2.668 2.485 2.859 . 0 0 "[ . 1 . 2]" 1
1198 2 11 DC H42 3 8 DG H1 4.500 . 5.000 4.467 4.284 4.528 . 0 0 "[ . 1 . 2]" 1
1199 2 11 DC H42 3 9 DG H1 4.500 . 5.000 4.166 4.010 4.340 . 0 0 "[ . 1 . 2]" 1
1200 2 11 DC H5 3 9 DG H1 6.000 . 6.500 5.139 5.053 5.248 . 0 0 "[ . 1 . 2]" 1
1201 2 11 DC H6 2 12 DC H5 4.250 . 4.750 3.894 3.434 4.227 . 0 0 "[ . 1 . 2]" 1
1202 2 11 DC N3 3 9 DG N1 3.000 2.700 3.500 2.918 2.885 2.962 . 0 0 "[ . 1 . 2]" 1
1203 2 11 DC N4 3 9 DG O6 3.000 2.700 3.500 2.818 2.789 2.843 . 0 0 "[ . 1 . 2]" 1
1204 2 11 DC O2 3 9 DG N2 3.000 2.700 3.500 2.893 2.844 2.971 . 0 0 "[ . 1 . 2]" 1
1205 2 12 DC C1' 3 8 DG C1' 10.750 10.400 11.250 10.657 10.604 10.737 . 0 0 "[ . 1 . 2]" 1
1206 2 12 DC H2' 2 13 DA H8 6.000 . 6.500 2.690 2.534 2.967 . 0 0 "[ . 1 . 2]" 1
1207 2 12 DC H2'' 2 13 DA H8 5.000 . 5.500 2.425 2.274 2.546 . 0 0 "[ . 1 . 2]" 1
1208 2 12 DC H3' 2 12 DC H6 4.500 . 5.000 3.440 3.111 3.794 . 0 0 "[ . 1 . 2]" 1
1209 2 12 DC H3' 2 13 DA H8 5.000 . 5.500 4.475 4.338 4.784 . 0 0 "[ . 1 . 2]" 1
1210 2 12 DC H41 3 8 DG H1 3.500 . 4.000 2.326 2.060 2.532 . 0 0 "[ . 1 . 2]" 1
1211 2 12 DC H42 3 7 DT H3 6.000 . 6.500 5.960 5.759 6.020 . 0 0 "[ . 1 . 2]" 1
1212 2 12 DC H42 3 8 DG H1 4.500 . 5.000 3.876 3.643 4.058 . 0 0 "[ . 1 . 2]" 1
1213 2 12 DC H5 3 8 DG H1 5.250 . 5.750 4.983 4.844 5.087 . 0 0 "[ . 1 . 2]" 1
1214 2 12 DC N3 3 8 DG N1 3.000 2.700 3.500 2.911 2.885 2.941 . 0 0 "[ . 1 . 2]" 1
1215 2 12 DC N4 3 8 DG O6 3.000 2.700 3.500 2.937 2.844 3.001 . 0 0 "[ . 1 . 2]" 1
1216 2 12 DC O2 3 8 DG N2 3.000 2.700 3.500 2.777 2.757 2.819 . 0 0 "[ . 1 . 2]" 1
1217 2 13 DA C1' 3 7 DT C1' 10.750 10.400 11.250 10.645 10.532 10.782 . 0 0 "[ . 1 . 2]" 1
1218 2 13 DA H1' 2 14 DA H8 3.500 . 4.000 3.470 3.268 3.532 . 0 0 "[ . 1 . 2]" 1
1219 2 13 DA H2 2 14 DA H2 4.250 . 4.750 4.127 3.886 4.265 . 0 0 "[ . 1 . 2]" 1
1220 2 13 DA H2 3 6 DT H3 5.250 . 5.750 5.283 5.241 5.309 . 0 0 "[ . 1 . 2]" 1
1221 2 13 DA H2 3 7 DT H3 3.300 . 3.800 2.733 2.641 2.863 . 0 0 "[ . 1 . 2]" 1
1222 2 13 DA H2 3 8 DG H1 4.500 . 5.000 4.496 4.329 4.528 . 0 0 "[ . 1 . 2]" 1
1223 2 13 DA H2' 2 14 DA H8 3.300 . 3.800 3.295 3.189 3.358 . 0 0 "[ . 1 . 2]" 1
1224 2 13 DA H2'' 2 14 DA H8 4.500 . 5.000 2.131 2.009 2.216 . 0 0 "[ . 1 . 2]" 1
1225 2 13 DA H3' 2 13 DA H8 4.500 . 5.000 4.335 4.281 4.418 . 0 0 "[ . 1 . 2]" 1
1226 2 13 DA H3' 2 14 DA H8 5.000 . 5.500 4.791 4.671 4.877 . 0 0 "[ . 1 . 2]" 1
1227 2 13 DA N1 3 7 DT N3 3.000 2.700 3.500 2.878 2.838 2.913 . 0 0 "[ . 1 . 2]" 1
1228 2 13 DA N6 3 7 DT O4 3.000 2.700 3.500 2.942 2.849 3.034 . 0 0 "[ . 1 . 2]" 1
1229 2 14 DA C1' 3 6 DT C1' 10.750 10.400 11.250 10.725 10.437 10.795 . 0 0 "[ . 1 . 2]" 1
1230 2 14 DA H1' 2 15 DT H6 4.000 . 4.500 3.929 3.751 4.030 . 0 0 "[ . 1 . 2]" 1
1231 2 14 DA H1' 2 15 DT M7 5.100 . 5.600 4.202 4.029 4.267 . 0 0 "[ . 1 . 2]" 1
1232 2 14 DA H2 2 15 DT H3 4.500 . 4.750 4.234 4.052 4.282 . 0 0 "[ . 1 . 2]" 1
1233 2 14 DA H2 3 6 DT H3 3.300 . 3.800 2.880 2.765 2.975 . 0 0 "[ . 1 . 2]" 1
1234 2 14 DA H2 3 7 DT H3 4.250 . 4.750 3.714 3.436 4.041 . 0 0 "[ . 1 . 2]" 1
1235 2 14 DA H2'' 2 15 DT H6 4.000 . 4.500 2.429 2.335 2.532 . 0 0 "[ . 1 . 2]" 1
1236 2 14 DA H2'' 2 15 DT M7 5.400 . 5.900 2.867 2.679 3.018 . 0 0 "[ . 1 . 2]" 1
1237 2 14 DA H3' 2 14 DA H8 4.500 . 5.000 4.351 4.264 4.425 . 0 0 "[ . 1 . 2]" 1
1238 2 14 DA H3' 2 15 DT H6 5.500 . 6.000 5.056 4.921 5.209 . 0 0 "[ . 1 . 2]" 1
1239 2 14 DA H3' 2 15 DT M7 6.000 . 6.500 4.493 4.318 4.683 . 0 0 "[ . 1 . 2]" 1
1240 2 14 DA H8 2 15 DT H6 5.100 . 5.600 4.974 4.646 5.132 . 0 0 "[ . 1 . 2]" 1
1241 2 14 DA H8 2 15 DT M7 5.100 . 5.600 2.824 2.631 3.064 . 0 0 "[ . 1 . 2]" 1
1242 2 14 DA N1 3 6 DT N3 3.000 2.700 3.500 2.888 2.835 2.914 . 0 0 "[ . 1 . 2]" 1
1243 2 14 DA N6 3 6 DT O4 3.000 2.700 3.500 2.881 2.827 3.019 . 0 0 "[ . 1 . 2]" 1
1244 2 15 DT C1' 3 5 DA C1' 10.750 10.400 11.250 10.747 10.633 10.796 . 0 0 "[ . 1 . 2]" 1
1245 2 15 DT H1' 2 16 DA H8 3.750 . 4.250 3.794 3.774 3.807 . 0 0 "[ . 1 . 2]" 1
1246 2 15 DT H2' 2 16 DA H8 3.300 . 3.800 3.166 3.028 3.315 . 0 0 "[ . 1 . 2]" 1
1247 2 15 DT H2'' 2 16 DA H8 3.750 . 4.250 2.274 2.141 2.452 . 0 0 "[ . 1 . 2]" 1
1248 2 15 DT H3 2 16 DA H2 4.750 . 5.250 4.826 4.774 4.872 . 0 0 "[ . 1 . 2]" 1
1249 2 15 DT H3 3 4 DT H3 5.250 . 5.750 4.874 4.651 5.009 . 0 0 "[ . 1 . 2]" 1
1250 2 15 DT H3 3 5 DA H2 3.300 . 3.800 2.859 2.721 3.002 . 0 0 "[ . 1 . 2]" 1
1251 2 15 DT H3 3 6 DT H3 4.000 . 4.500 3.784 3.541 4.023 . 0 0 "[ . 1 . 2]" 1
1252 2 15 DT H3' 2 15 DT H6 4.500 . 5.000 3.991 3.724 4.071 . 0 0 "[ . 1 . 2]" 1
1253 2 15 DT H3' 2 16 DA H8 5.000 . 5.500 4.850 4.700 5.014 . 0 0 "[ . 1 . 2]" 1
1254 2 15 DT H6 2 16 DA H8 5.100 . 5.600 4.396 4.018 5.109 . 0 0 "[ . 1 . 2]" 1
1255 2 15 DT N3 3 5 DA N1 3.000 2.700 3.500 2.902 2.868 2.920 . 0 0 "[ . 1 . 2]" 1
1256 2 15 DT O4 3 5 DA N6 3.000 2.700 3.500 2.856 2.822 2.891 . 0 0 "[ . 1 . 2]" 1
1257 2 16 DA C1' 3 4 DT C1' 10.650 10.400 11.150 10.623 10.352 10.743 0.048 2 0 "[ . 1 . 2]" 1
1258 2 16 DA H1' 2 17 DA H8 3.500 . 4.000 3.557 3.512 3.604 . 0 0 "[ . 1 . 2]" 1
1259 2 16 DA H2 2 17 DA H2 4.000 . 4.500 4.034 4.000 4.087 . 0 0 "[ . 1 . 2]" 1
1260 2 16 DA H2 3 3 DT H3 5.250 . 5.750 5.263 5.129 5.311 . 0 0 "[ . 1 . 2]" 1
1261 2 16 DA H2 3 4 DT H3 3.300 . 3.800 2.699 2.524 2.845 . 0 0 "[ . 1 . 2]" 1
1262 2 16 DA H2' 2 17 DA H8 3.300 . 3.800 3.320 3.263 3.357 . 0 0 "[ . 1 . 2]" 1
1263 2 16 DA H2'' 2 17 DA H8 3.500 . 4.000 2.090 1.980 2.271 . 0 0 "[ . 1 . 2]" 1
1264 2 16 DA H3' 2 16 DA H8 4.500 . 5.000 4.356 4.214 4.541 . 0 0 "[ . 1 . 2]" 1
1265 2 16 DA H8 2 17 DA H8 4.850 . 5.350 4.729 4.237 4.934 . 0 0 "[ . 1 . 2]" 1
1266 2 16 DA N1 3 4 DT N3 3.000 2.700 3.500 2.872 2.815 2.925 . 0 0 "[ . 1 . 2]" 1
1267 2 16 DA N6 3 4 DT O4 3.000 2.700 3.500 2.942 2.862 3.074 . 0 0 "[ . 1 . 2]" 1
1268 2 17 DA C1' 3 3 DT C1' 10.550 10.400 11.050 10.498 10.388 10.581 0.012 2 0 "[ . 1 . 2]" 1
1269 2 17 DA H1' 2 18 DC H6 3.750 . 4.250 3.464 2.632 3.814 . 0 0 "[ . 1 . 2]" 1
1270 2 17 DA H2 3 2 DG H1 4.500 . 5.000 4.402 4.152 4.542 . 0 0 "[ . 1 . 2]" 1
1271 2 17 DA H2 3 3 DT H3 3.300 . 3.800 2.779 2.585 2.956 . 0 0 "[ . 1 . 2]" 1
1272 2 17 DA H2 3 4 DT H3 4.000 . 4.500 3.404 3.193 3.582 . 0 0 "[ . 1 . 2]" 1
1273 2 17 DA H2' 2 18 DC H6 3.300 . 3.800 3.326 3.121 3.561 . 0 0 "[ . 1 . 2]" 1
1274 2 17 DA H2'' 2 18 DC H6 4.000 . 4.500 2.122 1.942 2.239 . 0 0 "[ . 1 . 2]" 1
1275 2 17 DA H3' 2 17 DA H8 5.000 . 5.500 4.327 4.159 4.725 . 0 0 "[ . 1 . 2]" 1
1276 2 17 DA H3' 2 18 DC H6 4.750 . 5.250 4.758 4.380 4.833 . 0 0 "[ . 1 . 2]" 1
1277 2 17 DA H8 2 18 DC H5 4.000 . 4.500 3.612 3.283 3.916 . 0 0 "[ . 1 . 2]" 1
1278 2 17 DA H8 2 18 DC H6 5.000 . 5.500 4.697 4.306 5.034 . 0 0 "[ . 1 . 2]" 1
1279 2 17 DA N1 3 3 DT N3 3.000 2.700 3.500 2.840 2.815 2.866 . 0 0 "[ . 1 . 2]" 1
1280 2 17 DA N6 3 3 DT O4 3.000 2.700 3.500 2.984 2.888 3.049 . 0 0 "[ . 1 . 2]" 1
1281 2 18 DC C1' 3 2 DG C1' 10.550 10.400 11.050 10.610 10.585 10.634 . 0 0 "[ . 1 . 2]" 1
1282 2 18 DC H1' 2 19 DG H8 4.250 . 4.750 4.129 3.785 4.273 . 0 0 "[ . 1 . 2]" 1
1283 2 18 DC H2' 2 19 DG H8 3.500 . 4.000 2.984 2.510 3.211 . 0 0 "[ . 1 . 2]" 1
1284 2 18 DC H2'' 2 19 DG H8 3.500 . 4.000 2.503 2.263 2.658 . 0 0 "[ . 1 . 2]" 1
1285 2 18 DC H3' 2 18 DC H6 4.500 . 5.000 3.919 3.154 4.269 . 0 0 "[ . 1 . 2]" 1
1286 2 18 DC H3' 2 19 DG H8 5.000 . 5.500 4.815 4.139 5.006 . 0 0 "[ . 1 . 2]" 1
1287 2 18 DC H41 3 2 DG H1 3.500 . 4.000 2.592 2.515 2.656 . 0 0 "[ . 1 . 2]" 1
1288 2 18 DC H42 3 2 DG H1 4.500 . 5.000 4.086 4.009 4.141 . 0 0 "[ . 1 . 2]" 1
1289 2 18 DC H5 3 2 DG H1 5.000 . 5.500 5.056 5.022 5.079 . 0 0 "[ . 1 . 2]" 1
1290 2 18 DC H6 2 19 DG H8 5.250 . 5.750 4.469 4.110 5.183 . 0 0 "[ . 1 . 2]" 1
1291 2 18 DC N3 3 2 DG N1 3.000 2.700 3.500 2.869 2.856 2.895 . 0 0 "[ . 1 . 2]" 1
1292 2 18 DC N4 3 2 DG O6 3.000 2.700 3.500 2.849 2.827 2.891 . 0 0 "[ . 1 . 2]" 1
1293 2 18 DC O2 3 2 DG N2 3.000 2.700 3.500 2.779 2.751 2.818 . 0 0 "[ . 1 . 2]" 1
1294 2 19 DG C1' 3 1 DC C1' 10.750 10.400 11.250 10.632 10.399 10.734 0.001 2 0 "[ . 1 . 2]" 1
1295 2 19 DG H3' 2 19 DG H8 4.000 . 4.500 3.973 2.845 4.051 . 0 0 "[ . 1 . 2]" 1
1296 2 19 DG N1 3 1 DC N3 3.000 2.700 3.500 2.900 2.884 2.921 . 0 0 "[ . 1 . 2]" 1
1297 2 19 DG N2 3 1 DC O2 3.000 2.700 3.500 2.829 2.804 2.842 . 0 0 "[ . 1 . 2]" 1
1298 2 19 DG O6 3 1 DC N4 3.000 2.700 3.500 2.918 2.858 2.947 . 0 0 "[ . 1 . 2]" 1
1299 3 1 DC H1' 3 2 DG H8 4.000 . 4.500 3.990 3.909 4.022 . 0 0 "[ . 1 . 2]" 1
1300 3 1 DC H2' 3 2 DG H8 . . 3.200 2.650 2.584 2.707 . 0 0 "[ . 1 . 2]" 1
1301 3 1 DC H3' 3 1 DC H6 4.250 . 4.750 3.976 3.874 4.086 . 0 0 "[ . 1 . 2]" 1
1302 3 1 DC H3' 3 2 DG H8 4.500 . 5.000 4.498 4.438 4.518 . 0 0 "[ . 1 . 2]" 1
1303 3 1 DC H4' 3 2 DG H8 6.000 . 6.500 5.821 5.716 6.034 . 0 0 "[ . 1 . 2]" 1
1304 3 1 DC H6 3 2 DG H8 5.250 . 5.750 4.465 4.394 4.748 . 0 0 "[ . 1 . 2]" 1
1305 3 2 DG H1 3 3 DT H3 4.250 . 4.750 3.351 3.253 3.472 . 0 0 "[ . 1 . 2]" 1
1306 3 2 DG H1' 3 3 DT H6 4.000 . 4.500 3.941 3.759 4.028 . 0 0 "[ . 1 . 2]" 1
1307 3 2 DG H1' 3 3 DT M7 5.100 . 5.600 4.231 4.115 4.257 . 0 0 "[ . 1 . 2]" 1
1308 3 2 DG H2' 3 3 DT H6 4.500 . 5.000 3.480 3.264 3.709 . 0 0 "[ . 1 . 2]" 1
1309 3 2 DG H2'' 3 3 DT H6 5.000 . 5.500 2.351 2.298 2.572 . 0 0 "[ . 1 . 2]" 1
1310 3 2 DG H2'' 3 3 DT M7 3.600 . 4.100 2.883 2.679 3.000 . 0 0 "[ . 1 . 2]" 1
1311 3 2 DG H3' 3 2 DG H8 4.500 . 5.000 4.426 4.270 4.500 . 0 0 "[ . 1 . 2]" 1
1312 3 2 DG H3' 3 3 DT H6 5.250 . 5.750 4.958 4.796 5.199 . 0 0 "[ . 1 . 2]" 1
1313 3 2 DG H3' 3 3 DT M7 6.000 . 6.500 4.399 4.295 4.575 . 0 0 "[ . 1 . 2]" 1
1314 3 2 DG H8 3 3 DT H6 5.000 . 5.500 5.009 4.927 5.039 . 0 0 "[ . 1 . 2]" 1
1315 3 2 DG H8 3 3 DT M7 4.200 . 4.700 2.836 2.737 2.918 . 0 0 "[ . 1 . 2]" 1
1316 3 3 DT H1' 3 4 DT H6 3.750 . 4.250 3.807 3.778 3.828 . 0 0 "[ . 1 . 2]" 1
1317 3 3 DT H1' 3 4 DT M7 5.100 . 5.600 4.271 4.249 4.296 . 0 0 "[ . 1 . 2]" 1
1318 3 3 DT H2' 3 4 DT H6 2.700 . 3.200 2.757 2.748 2.771 . 0 0 "[ . 1 . 2]" 1
1319 3 3 DT H3 3 4 DT H3 4.250 . 4.750 3.331 3.249 3.480 . 0 0 "[ . 1 . 2]" 1
1320 3 3 DT H3' 3 3 DT M7 7.210 . 7.710 5.409 5.302 5.551 . 0 0 "[ . 1 . 2]" 1
1321 3 3 DT H3' 3 4 DT H6 4.750 . 5.250 4.519 4.385 4.610 . 0 0 "[ . 1 . 2]" 1
1322 3 3 DT H3' 3 4 DT M7 5.400 . 5.900 4.067 3.979 4.226 . 0 0 "[ . 1 . 2]" 1
1323 3 3 DT H6 3 4 DT M7 4.200 . 4.700 2.853 2.720 3.043 . 0 0 "[ . 1 . 2]" 1
1324 3 3 DT M7 3 4 DT M7 3.890 . 4.390 2.566 2.383 2.707 . 0 0 "[ . 1 . 2]" 1
1325 3 4 DT H1' 3 5 DA H8 4.000 . 4.500 3.942 3.637 4.023 . 0 0 "[ . 1 . 2]" 1
1326 3 4 DT H2' 3 5 DA H8 . . 3.800 2.769 2.238 3.181 . 0 0 "[ . 1 . 2]" 1
1327 3 4 DT H3 3 5 DA H2 5.250 . 5.750 5.210 4.761 5.304 . 0 0 "[ . 1 . 2]" 1
1328 3 4 DT H3' 3 4 DT H6 4.250 . 4.750 3.893 3.425 4.173 . 0 0 "[ . 1 . 2]" 1
1329 3 4 DT H3' 3 4 DT M7 7.210 . 7.710 5.409 4.925 5.718 . 0 0 "[ . 1 . 2]" 1
1330 3 4 DT H3' 3 5 DA H8 5.000 . 5.500 4.649 4.176 5.001 . 0 0 "[ . 1 . 2]" 1
1331 3 4 DT H6 3 5 DA H8 5.250 . 5.750 4.226 4.032 4.636 . 0 0 "[ . 1 . 2]" 1
1332 3 5 DA H1' 3 6 DT H6 4.000 . 4.500 3.767 3.249 4.048 . 0 0 "[ . 1 . 2]" 1
1333 3 5 DA H1' 3 6 DT M7 5.100 . 5.600 4.093 3.768 4.300 . 0 0 "[ . 1 . 2]" 1
1334 3 5 DA H2 3 6 DT H3 4.000 . 4.500 3.980 3.711 4.058 . 0 0 "[ . 1 . 2]" 1
1335 3 5 DA H2'' 3 6 DT H6 5.000 . 5.500 2.284 2.191 2.505 . 0 0 "[ . 1 . 2]" 1
1336 3 5 DA H2'' 3 6 DT M7 6.000 . 6.500 2.728 2.375 3.267 . 0 0 "[ . 1 . 2]" 1
1337 3 5 DA H3' 3 5 DA H8 4.500 . 5.000 4.330 3.895 4.522 . 0 0 "[ . 1 . 2]" 1
1338 3 5 DA H3' 3 6 DT H6 5.250 . 5.750 4.905 4.389 5.137 . 0 0 "[ . 1 . 2]" 1
1339 3 5 DA H3' 3 6 DT M7 5.400 . 5.900 4.310 3.899 4.511 . 0 0 "[ . 1 . 2]" 1
1340 3 5 DA H8 3 6 DT H6 5.500 . 6.000 5.140 4.730 5.511 . 0 0 "[ . 1 . 2]" 1
1341 3 5 DA H8 3 6 DT M7 4.200 . 4.700 3.004 2.759 3.298 . 0 0 "[ . 1 . 2]" 1
1342 3 6 DT H1' 3 7 DT H6 4.000 . 4.500 3.886 3.634 4.012 . 0 0 "[ . 1 . 2]" 1
1343 3 6 DT H1' 3 7 DT M7 5.100 . 5.600 4.044 3.812 4.307 . 0 0 "[ . 1 . 2]" 1
1344 3 6 DT H2'' 3 7 DT H6 . . 5.500 2.314 2.163 2.456 . 0 0 "[ . 1 . 2]" 1
1345 3 6 DT H3 3 7 DT H3 3.500 . 4.000 3.488 3.417 3.537 . 0 0 "[ . 1 . 2]" 1
1346 3 6 DT H3' 3 6 DT H6 4.250 . 4.750 4.073 3.881 4.231 . 0 0 "[ . 1 . 2]" 1
1347 3 6 DT H3' 3 6 DT M7 7.210 . 7.710 5.633 5.462 5.825 . 0 0 "[ . 1 . 2]" 1
1348 3 6 DT H3' 3 7 DT H6 5.000 . 5.500 4.907 4.741 5.052 . 0 0 "[ . 1 . 2]" 1
1349 3 6 DT H3' 3 7 DT M7 6.000 . 6.500 4.156 3.815 4.864 . 0 0 "[ . 1 . 2]" 1
1350 3 6 DT H6 3 7 DT M7 5.400 . 5.900 2.997 2.770 3.101 . 0 0 "[ . 1 . 2]" 1
1351 3 6 DT M7 3 7 DT M7 4.540 . 5.040 2.932 2.269 3.188 . 0 0 "[ . 1 . 2]" 1
1352 3 7 DT H1' 3 8 DG H8 4.500 . 5.000 4.524 4.493 4.552 . 0 0 "[ . 1 . 2]" 1
1353 3 7 DT H2' 3 8 DG H8 6.000 . 6.500 3.045 2.835 3.157 . 0 0 "[ . 1 . 2]" 1
1354 3 7 DT H2'' 3 8 DG H8 5.000 . 5.500 2.865 2.787 2.934 . 0 0 "[ . 1 . 2]" 1
1355 3 7 DT H3 3 8 DG H1 4.000 . 4.500 3.910 3.745 4.005 . 0 0 "[ . 1 . 2]" 1
1356 3 7 DT H3' 3 7 DT H6 4.250 . 4.750 4.141 3.993 4.256 . 0 0 "[ . 1 . 2]" 1
1357 3 7 DT H3' 3 7 DT M7 7.210 . 7.710 5.744 5.594 5.866 . 0 0 "[ . 1 . 2]" 1
1358 3 7 DT H3' 3 8 DG H8 5.000 . 5.500 4.988 4.776 5.049 . 0 0 "[ . 1 . 2]" 1
1359 3 7 DT H6 3 8 DG H8 5.000 . 5.500 3.895 3.734 4.164 . 0 0 "[ . 1 . 2]" 1
1360 3 8 DG H1 3 9 DG H1 4.000 . 4.500 3.511 3.334 3.731 . 0 0 "[ . 1 . 2]" 1
1361 3 8 DG H1' 3 9 DG H8 3.500 . 4.000 2.529 2.241 2.704 . 0 0 "[ . 1 . 2]" 1
1362 3 8 DG H3' 3 8 DG H8 4.750 . 5.250 4.755 4.695 4.785 . 0 0 "[ . 1 . 2]" 1
1363 3 8 DG H3' 3 9 DG H8 4.750 . 5.250 4.395 4.275 4.684 . 0 0 "[ . 1 . 2]" 1
1364 3 8 DG H8 3 9 DG H8 6.000 . 6.500 5.684 5.382 5.907 . 0 0 "[ . 1 . 2]" 1
1365 3 9 DG H1' 3 10 DC H6 4.000 . 4.500 3.362 3.043 3.940 . 0 0 "[ . 1 . 2]" 1
1366 3 9 DG H3' 3 9 DG H8 4.500 . 5.000 4.382 4.058 4.505 . 0 0 "[ . 1 . 2]" 1
1367 3 9 DG H8 3 10 DC H5 4.000 . 4.500 3.765 3.567 3.974 . 0 0 "[ . 1 . 2]" 1
1368 3 10 DC H1' 3 11 DA H8 5.000 . 5.500 4.517 3.841 5.024 . 0 0 "[ . 1 . 2]" 1
1369 3 10 DC H2' 3 11 DA H8 3.000 . 3.500 2.921 2.578 3.042 . 0 0 "[ . 1 . 2]" 1
1370 3 10 DC H3' 3 11 DA H8 4.750 . 5.250 4.228 3.857 4.469 . 0 0 "[ . 1 . 2]" 1
1371 3 11 DA H1' 3 12 DG H8 5.000 . 5.500 4.271 3.702 5.033 . 0 0 "[ . 1 . 2]" 1
1372 3 11 DA H2 3 12 DG H1 4.250 . 4.750 4.244 4.089 4.287 . 0 0 "[ . 1 . 2]" 1
1373 3 12 DG H1 3 13 DG H1 4.000 . 4.500 3.732 3.483 4.000 . 0 0 "[ . 1 . 2]" 1
1374 3 12 DG H1' 3 13 DG H8 3.300 . 3.800 3.198 2.829 3.359 . 0 0 "[ . 1 . 2]" 1
1375 3 12 DG H3' 3 13 DG H8 4.750 . 5.250 4.787 4.650 4.855 . 0 0 "[ . 1 . 2]" 1
1376 3 13 DG H1 3 14 DA H2 4.000 . 4.500 3.733 3.479 4.009 . 0 0 "[ . 1 . 2]" 1
1377 3 13 DG H2'' 3 14 DA H8 3.750 . 4.250 2.331 2.196 2.594 . 0 0 "[ . 1 . 2]" 1
1378 3 13 DG H3' 3 14 DA H8 5.000 . 5.500 4.541 3.992 5.007 . 0 0 "[ . 1 . 2]" 1
1379 3 14 DA H1' 3 15 DA H8 3.500 . 4.000 3.529 3.519 3.550 . 0 0 "[ . 1 . 2]" 1
1380 3 14 DA H2 3 15 DA H2 4.000 . 4.500 3.873 3.808 3.994 . 0 0 "[ . 1 . 2]" 1
1381 3 14 DA H2' 3 15 DA H8 3.000 . 3.500 3.020 3.000 3.049 . 0 0 "[ . 1 . 2]" 1
1382 3 14 DA H2'' 3 15 DA H8 3.500 . 4.000 2.151 2.104 2.211 . 0 0 "[ . 1 . 2]" 1
1383 3 14 DA H3' 3 14 DA H8 4.250 . 4.750 4.136 4.071 4.223 . 0 0 "[ . 1 . 2]" 1
1384 3 14 DA H3' 3 15 DA H8 5.000 . 5.500 4.697 4.635 4.778 . 0 0 "[ . 1 . 2]" 1
1385 3 15 DA H1' 3 16 DG H8 3.750 . 4.250 3.781 3.768 3.800 . 0 0 "[ . 1 . 2]" 1
1386 3 15 DA H2 3 16 DG H1 4.750 . 5.250 4.664 4.467 4.770 . 0 0 "[ . 1 . 2]" 1
1387 3 15 DA H2' 3 16 DG H8 2.700 . 3.200 2.698 2.607 2.713 . 0 0 "[ . 1 . 2]" 1
1388 3 15 DA H2'' 3 16 DG H8 3.500 . 4.000 2.143 2.086 2.205 . 0 0 "[ . 1 . 2]" 1
1389 3 15 DA H3' 3 15 DA H8 4.500 . 5.000 4.100 4.050 4.152 . 0 0 "[ . 1 . 2]" 1
1390 3 15 DA H3' 3 16 DG H8 5.000 . 5.500 4.511 4.442 4.596 . 0 0 "[ . 1 . 2]" 1
1391 3 15 DA H8 3 16 DG H8 4.750 . 5.250 4.574 4.438 4.771 . 0 0 "[ . 1 . 2]" 1
1392 3 16 DG H1' 3 17 DC H5 4.750 . 5.250 4.708 4.553 4.759 . 0 0 "[ . 1 . 2]" 1
1393 3 16 DG H1' 3 17 DC H6 4.000 . 4.500 4.022 4.004 4.043 . 0 0 "[ . 1 . 2]" 1
1394 3 16 DG H2' 3 17 DC H6 3.000 . 3.500 3.021 3.015 3.035 . 0 0 "[ . 1 . 2]" 1
1395 3 16 DG H2'' 3 17 DC H6 4.250 . 4.750 2.153 2.109 2.180 . 0 0 "[ . 1 . 2]" 1
1396 3 16 DG H3' 3 16 DG H8 4.500 . 5.000 4.273 4.248 4.312 . 0 0 "[ . 1 . 2]" 1
1397 3 16 DG H3' 3 17 DC H6 5.500 . 6.000 4.527 4.432 4.592 . 0 0 "[ . 1 . 2]" 1
1398 3 16 DG H8 3 17 DC H5 4.000 . 4.500 3.741 3.605 3.977 . 0 0 "[ . 1 . 2]" 1
1399 3 17 DC H1' 3 18 DA H8 3.500 . 4.000 3.547 3.542 3.558 . 0 0 "[ . 1 . 2]" 1
1400 3 17 DC H2' 3 18 DA H8 3.000 . 3.500 3.023 3.016 3.027 . 0 0 "[ . 1 . 2]" 1
1401 3 17 DC H2'' 3 18 DA H8 4.500 . 5.000 2.095 2.082 2.109 . 0 0 "[ . 1 . 2]" 1
1402 3 17 DC H3' 3 17 DC H6 4.250 . 4.750 3.978 3.937 4.006 . 0 0 "[ . 1 . 2]" 1
1403 3 17 DC H3' 3 18 DA H8 5.000 . 5.500 4.692 4.672 4.708 . 0 0 "[ . 1 . 2]" 1
1404 3 17 DC H6 3 18 DA H8 5.000 . 5.500 4.443 4.382 4.507 . 0 0 "[ . 1 . 2]" 1
1405 3 18 DA H1' 3 19 DC H5 5.000 . 5.500 5.000 4.979 5.006 . 0 0 "[ . 1 . 2]" 1
1406 3 18 DA H1' 3 19 DC H6 3.750 . 4.250 3.781 3.777 3.788 . 0 0 "[ . 1 . 2]" 1
1407 3 18 DA H2' 3 19 DC H6 3.000 . 3.500 3.014 3.011 3.017 . 0 0 "[ . 1 . 2]" 1
1408 3 18 DA H2'' 3 19 DC H5 4.000 . 4.500 3.891 3.838 3.912 . 0 0 "[ . 1 . 2]" 1
1409 3 18 DA H2'' 3 19 DC H6 3.500 . 4.000 2.208 2.188 2.218 . 0 0 "[ . 1 . 2]" 1
1410 3 18 DA H3' 3 18 DA H8 4.250 . 4.750 4.267 4.259 4.273 . 0 0 "[ . 1 . 2]" 1
1411 3 18 DA H3' 3 19 DC H6 5.250 . 5.750 4.716 4.688 4.732 . 0 0 "[ . 1 . 2]" 1
1412 3 18 DA H8 3 19 DC H5 4.000 . 4.500 3.597 3.570 3.657 . 0 0 "[ . 1 . 2]" 1
1413 3 18 DA H8 3 19 DC H6 4.750 . 5.250 4.490 4.456 4.533 . 0 0 "[ . 1 . 2]" 1
1414 3 19 DC H3' 3 19 DC H6 3.500 . 4.000 3.515 3.509 3.519 . 0 0 "[ . 1 . 2]" 1
stop_
save_