NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type | subtype | subsubtype |
|
|
540579 |
4a52   |
18037 | cing | 1-original | 4 | STAR | distance | NOE | simple |
save_NOESY_13C_aromatique
_Gen_dist_constraint_list.Sf_category general_distance_constraints
_Gen_dist_constraint_list.Sf_framecode NOESY_13C_aromatique
_Gen_dist_constraint_list.Entry_ID 1
_Gen_dist_constraint_list.ID 3
_Gen_dist_constraint_list.Constraint_type NOE
loop_
_Gen_dist_constraint_expt.Experiment_ID
_Gen_dist_constraint_expt.Experiment_name
_Gen_dist_constraint_expt.Method_ID
_Gen_dist_constraint_expt.Method_label
_Gen_dist_constraint_expt.Sample_ID
_Gen_dist_constraint_expt.Sample_label
_Gen_dist_constraint_expt.Sample_state
_Gen_dist_constraint_expt.Entry_ID
_Gen_dist_constraint_expt.Gen_dist_constraint_list_ID
. "3D 1H-13C NOESY" . . 0 $YkuD_imip_MES liquid 1 3
stop_
loop_
_Gen_dist_constraint_software.Software_ID
_Gen_dist_constraint_software.Software_label
_Gen_dist_constraint_software.Method_ID
_Gen_dist_constraint_software.Method_label
_Gen_dist_constraint_software.Entry_ID
_Gen_dist_constraint_software.Gen_dist_constraint_list_ID
. . . . 1 3
stop_
loop_
_Gen_dist_constraint.ID
_Gen_dist_constraint.Member_ID
_Gen_dist_constraint.Member_logic_code
_Gen_dist_constraint.Assembly_atom_ID_1
_Gen_dist_constraint.Entity_assembly_ID_1
_Gen_dist_constraint.Entity_ID_1
_Gen_dist_constraint.Comp_index_ID_1
_Gen_dist_constraint.Seq_ID_1
_Gen_dist_constraint.Comp_ID_1
_Gen_dist_constraint.Atom_ID_1
_Gen_dist_constraint.Atom_type_1
_Gen_dist_constraint.Atom_isotope_number_1
_Gen_dist_constraint.Resonance_ID_1
_Gen_dist_constraint.Assembly_atom_ID_2
_Gen_dist_constraint.Entity_assembly_ID_2
_Gen_dist_constraint.Entity_ID_2
_Gen_dist_constraint.Comp_index_ID_2
_Gen_dist_constraint.Seq_ID_2
_Gen_dist_constraint.Comp_ID_2
_Gen_dist_constraint.Atom_ID_2
_Gen_dist_constraint.Atom_type_2
_Gen_dist_constraint.Atom_isotope_number_2
_Gen_dist_constraint.Resonance_ID_2
_Gen_dist_constraint.Intensity_val
_Gen_dist_constraint.Intensity_lower_val_err
_Gen_dist_constraint.Intensity_upper_val_err
_Gen_dist_constraint.Distance_val
_Gen_dist_constraint.Distance_lower_bound_val
_Gen_dist_constraint.Distance_upper_bound_val
_Gen_dist_constraint.Contribution_fractional_val
_Gen_dist_constraint.Spectral_peak_ID
_Gen_dist_constraint.Spectral_peak_list_ID
_Gen_dist_constraint.PDB_record_ID_1
_Gen_dist_constraint.PDB_model_num_1
_Gen_dist_constraint.PDB_strand_ID_1
_Gen_dist_constraint.PDB_ins_code_1
_Gen_dist_constraint.PDB_residue_no_1
_Gen_dist_constraint.PDB_residue_name_1
_Gen_dist_constraint.PDB_atom_name_1
_Gen_dist_constraint.PDB_record_ID_2
_Gen_dist_constraint.PDB_model_num_2
_Gen_dist_constraint.PDB_strand_ID_2
_Gen_dist_constraint.PDB_ins_code_2
_Gen_dist_constraint.PDB_residue_no_2
_Gen_dist_constraint.PDB_residue_name_2
_Gen_dist_constraint.PDB_atom_name_2
_Gen_dist_constraint.Auth_entity_assembly_ID_1
_Gen_dist_constraint.Auth_asym_ID_1
_Gen_dist_constraint.Auth_chain_ID_1
_Gen_dist_constraint.Auth_seq_ID_1
_Gen_dist_constraint.Auth_comp_ID_1
_Gen_dist_constraint.Auth_atom_ID_1
_Gen_dist_constraint.Auth_alt_ID_1
_Gen_dist_constraint.Auth_atom_name_1
_Gen_dist_constraint.Auth_entity_assembly_ID_2
_Gen_dist_constraint.Auth_asym_ID_2
_Gen_dist_constraint.Auth_chain_ID_2
_Gen_dist_constraint.Auth_seq_ID_2
_Gen_dist_constraint.Auth_comp_ID_2
_Gen_dist_constraint.Auth_atom_ID_2
_Gen_dist_constraint.Auth_alt_ID_2
_Gen_dist_constraint.Auth_atom_name_2
_Gen_dist_constraint.Entry_ID
_Gen_dist_constraint.Gen_dist_constraint_list_ID
1 1 . . . . . 22 PHE HZ H . . . . . . 22 PHE QE H . . . . . 4.21353153310 3.37082522648 5.05623783972 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 3
2 1 . . . . . 7 TYR HB3 H . . . . . . 7 TYR QD H . . . . . 4.52196146234 3.61756916987 5.42635375481 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 3
3 1 . . . . . 55 TYR HA H . . . . . . 55 TYR QE H . . . . . 4.78065370819 3.82452296655 5.73678444983 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 3
4 1 . . . . . 82 TYR HA H . . . . . . 82 TYR QD H . . . . . 5.16295220647 4.13036176517 6.19554264776 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 3
5 1 . . . . . 59 TYR HA H . . . . . . 59 TYR QD H . . . . . 4.92995916643 3.94396733315 5.91595099972 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 3
6 1 . . . . . 7 TYR HA H . . . . . . 7 TYR QD H . . . . . 4.55610278253 3.64488222603 5.46732333904 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 3
7 1 . . . . . 59 TYR HB2 H . . . . . . 59 TYR QE H . . . . . 4.89479783879 3.91583827103 5.87375740655 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 3
8 1 . . . . . 55 TYR QE H . . . . . . 55 TYR QD H . . . . . 3.38848803720 2.71079042976 4.06618564464 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 3
9 1 . . . . . 55 TYR HB3 H . . . . . . 55 TYR QD H . . . . . 4.43433014773 3.54746411818 5.32119617728 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 3
10 1 . . . . . 82 TYR QD H . . . . . . 82 TYR QE H . . . . . 5.57008797800 4.45607038240 6.68410557359 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 3
11 1 . . . . . 99 TYR HB3 H . . . . . . 99 TYR QD H . . . . . 4.45974520102 3.56779616082 5.35169424123 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 3
12 1 . . . . . 55 TYR QE H . . . . . . 55 TYR QD H . . . . . 3.79926146417 3.03940917134 4.55911375701 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 3
13 1 . . . . . 111 PHE HZ H . . . . . . 111 PHE QE H . . . . . 3.93741747964 3.14993398371 4.72490097556 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 3
14 1 . . . . . 156 ILE MG H . . . . . . 59 TYR QE H . . . . . 5.27396736743 4.21917389394 6.32876084091 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 3
15 1 . . . . . 55 TYR HA H . . . . . . 55 TYR QD H . . . . . 4.61663661886 3.69330929509 5.53996394263 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 3
16 1 . . . . . 22 PHE HA H . . . . . . 22 PHE QD H . . . . . 5.23963566627 4.19170853302 6.28756279953 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 3
17 1 . . . . . 22 PHE QD H . . . . . . 22 PHE QE H . . . . . 5.23772697494 4.19018157995 6.28527236992 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 3
18 1 . . . . . 59 TYR QE H . . . . . . 59 TYR QD H . . . . . 4.07321738350 3.25857390680 4.88786086020 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 3
19 1 . . . . . 99 TYR QD H . . . . . . 99 TYR QE H . . . . . 4.55195131757 3.64156105406 5.46234158109 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 3
20 1 . . . . . 22 PHE QD H . . . . . . 22 PHE QE H . . . . . 5.01704764060 4.01363811248 6.02045716873 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 3
21 1 . . . . . 115 TRP HB2 H . . . . . . 115 TRP HD1 H . . . . . 4.21912194314 3.37529755451 5.06294633177 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 3
22 1 . . . . . 22 PHE HZ H . . . . . . 22 PHE QE H . . . . . 4.46574668833 3.57259735066 5.35889602599 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 3
23 1 . . . . . 55 TYR HB2 H . . . . . . 55 TYR QD H . . . . . 4.22226968679 3.37781574943 5.06672362415 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 3
24 1 . . . . . 7 TYR HB2 H . . . . . . 7 TYR QD H . . . . . 4.60867836107 3.68694268886 5.53041403329 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 3
25 1 . . . . . 59 TYR HB3 H . . . . . . 59 TYR QD H . . . . . 4.66520448472 3.73216358778 5.59824538166 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 3
26 1 . . . . . 55 TYR HB3 H . . . . . . 55 TYR QE H . . . . . 4.81196713431 3.84957370745 5.77436056117 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 3
27 1 . . . . . 114 TYR QD H . . . . . . 114 TYR QE H . . . . . 4.41409060108 3.53127248086 5.29690872129 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 3
28 1 . . . . . 22 PHE QD H . . . . . . 22 PHE HZ H . . . . . 3.81639188143 3.05311350515 4.57967025772 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 3
29 1 . . . . . 99 TYR QD H . . . . . . 99 TYR QE H . . . . . 4.31739648558 3.45391718846 5.18087578269 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 3
30 1 . . . . . 22 PHE HB3 H . . . . . . 22 PHE QD H . . . . . 5.02012436609 4.01609949287 6.02414923931 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 3
31 1 . . . . . 99 TYR HB2 H . . . . . . 99 TYR QE H . . . . . 5.07669454436 4.06135563549 6.09203345324 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 3
32 1 . . . . . 7 TYR HB2 H . . . . . . 7 TYR QE H . . . . . 5.16454991235 4.13163992988 6.19745989482 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 3
33 1 . . . . . 115 TRP HB3 H . . . . . . 115 TRP HD1 H . . . . . 4.38122591647 3.50498073317 5.25747109976 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 3
34 1 . . . . . 74 LEU MD1 H . . . . . . 59 TYR QE H . . . . . 5.30056269960 4.24045015968 6.36067523953 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 3
35 1 . . . . . 55 TYR HB2 H . . . . . . 55 TYR QE H . . . . . 4.86513738168 3.89210990534 5.83816485801 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 3
36 1 . . . . . 82 TYR QD H . . . . . . 82 TYR QE H . . . . . 5.40850664095 4.32680531276 6.49020796914 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 3
37 1 . . . . . 99 TYR HB2 H . . . . . . 99 TYR QD H . . . . . 4.69372447317 3.75497957853 5.63246936780 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 3
38 1 . . . . . 82 TYR HB2 H . . . . . . 82 TYR QD H . . . . . 4.93866093561 3.95092874848 5.92639312273 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 3
39 1 . . . . . 99 TYR HA H . . . . . . 99 TYR QD H . . . . . 4.76890692879 3.81512554303 5.72268831454 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 3
40 1 . . . . . 82 TYR HB3 H . . . . . . 82 TYR QD H . . . . . 5.36028748884 4.28822999107 6.43234498661 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 3
41 1 . . . . . 115 TRP HE1 H . . . . . . 115 TRP HD1 H . . . . . 4.32652776185 3.46122220948 5.19183331422 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 3
42 1 . . . . . 59 TYR QE H . . . . . . 59 TYR QD H . . . . . 4.23244602812 3.38595682249 5.07893523374 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 3
43 1 . . . . . 114 TYR QD H . . . . . . 114 TYR QE H . . . . . 4.76437801212 3.81150240970 5.71725361454 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 3
44 1 . . . . . 22 PHE HB2 H . . . . . . 22 PHE QD H . . . . . 4.79497175013 3.83597740010 5.75396610016 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 3
45 1 . . . . . 99 TYR HB3 H . . . . . . 99 TYR QE H . . . . . 4.77128472315 3.81702777852 5.72554166777 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 3
46 1 . . . . . 7 TYR QE H . . . . . . 7 TYR QD H . . . . . 3.71463580404 2.97170864323 4.45756296485 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 3
47 1 . . . . . 7 TYR QE H . . . . . . 7 TYR QD H . . . . . 3.77670954781 3.02136763825 4.53205145737 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 3
48 1 . . . . . 59 TYR HB2 H . . . . . . 59 TYR QD H . . . . . 4.39237297851 3.51389838281 5.27084757422 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 3
stop_
save_
save_NOESY_13C_long_range
_Gen_dist_constraint_list.Sf_category general_distance_constraints
_Gen_dist_constraint_list.Sf_framecode NOESY_13C_long_range
_Gen_dist_constraint_list.Entry_ID 1
_Gen_dist_constraint_list.ID 4
_Gen_dist_constraint_list.Constraint_type NOE
loop_
_Gen_dist_constraint_expt.Experiment_ID
_Gen_dist_constraint_expt.Experiment_name
_Gen_dist_constraint_expt.Method_ID
_Gen_dist_constraint_expt.Method_label
_Gen_dist_constraint_expt.Sample_ID
_Gen_dist_constraint_expt.Sample_label
_Gen_dist_constraint_expt.Sample_state
_Gen_dist_constraint_expt.Entry_ID
_Gen_dist_constraint_expt.Gen_dist_constraint_list_ID
. "3D 1H-13C NOESY" . . 0 $YkuD_imip_MES liquid 1 4
stop_
loop_
_Gen_dist_constraint_software.Software_ID
_Gen_dist_constraint_software.Software_label
_Gen_dist_constraint_software.Method_ID
_Gen_dist_constraint_software.Method_label
_Gen_dist_constraint_software.Entry_ID
_Gen_dist_constraint_software.Gen_dist_constraint_list_ID
. . . . 1 4
stop_
loop_
_Gen_dist_constraint.ID
_Gen_dist_constraint.Member_ID
_Gen_dist_constraint.Member_logic_code
_Gen_dist_constraint.Assembly_atom_ID_1
_Gen_dist_constraint.Entity_assembly_ID_1
_Gen_dist_constraint.Entity_ID_1
_Gen_dist_constraint.Comp_index_ID_1
_Gen_dist_constraint.Seq_ID_1
_Gen_dist_constraint.Comp_ID_1
_Gen_dist_constraint.Atom_ID_1
_Gen_dist_constraint.Atom_type_1
_Gen_dist_constraint.Atom_isotope_number_1
_Gen_dist_constraint.Resonance_ID_1
_Gen_dist_constraint.Assembly_atom_ID_2
_Gen_dist_constraint.Entity_assembly_ID_2
_Gen_dist_constraint.Entity_ID_2
_Gen_dist_constraint.Comp_index_ID_2
_Gen_dist_constraint.Seq_ID_2
_Gen_dist_constraint.Comp_ID_2
_Gen_dist_constraint.Atom_ID_2
_Gen_dist_constraint.Atom_type_2
_Gen_dist_constraint.Atom_isotope_number_2
_Gen_dist_constraint.Resonance_ID_2
_Gen_dist_constraint.Intensity_val
_Gen_dist_constraint.Intensity_lower_val_err
_Gen_dist_constraint.Intensity_upper_val_err
_Gen_dist_constraint.Distance_val
_Gen_dist_constraint.Distance_lower_bound_val
_Gen_dist_constraint.Distance_upper_bound_val
_Gen_dist_constraint.Contribution_fractional_val
_Gen_dist_constraint.Spectral_peak_ID
_Gen_dist_constraint.Spectral_peak_list_ID
_Gen_dist_constraint.PDB_record_ID_1
_Gen_dist_constraint.PDB_model_num_1
_Gen_dist_constraint.PDB_strand_ID_1
_Gen_dist_constraint.PDB_ins_code_1
_Gen_dist_constraint.PDB_residue_no_1
_Gen_dist_constraint.PDB_residue_name_1
_Gen_dist_constraint.PDB_atom_name_1
_Gen_dist_constraint.PDB_record_ID_2
_Gen_dist_constraint.PDB_model_num_2
_Gen_dist_constraint.PDB_strand_ID_2
_Gen_dist_constraint.PDB_ins_code_2
_Gen_dist_constraint.PDB_residue_no_2
_Gen_dist_constraint.PDB_residue_name_2
_Gen_dist_constraint.PDB_atom_name_2
_Gen_dist_constraint.Auth_entity_assembly_ID_1
_Gen_dist_constraint.Auth_asym_ID_1
_Gen_dist_constraint.Auth_chain_ID_1
_Gen_dist_constraint.Auth_seq_ID_1
_Gen_dist_constraint.Auth_comp_ID_1
_Gen_dist_constraint.Auth_atom_ID_1
_Gen_dist_constraint.Auth_alt_ID_1
_Gen_dist_constraint.Auth_atom_name_1
_Gen_dist_constraint.Auth_entity_assembly_ID_2
_Gen_dist_constraint.Auth_asym_ID_2
_Gen_dist_constraint.Auth_chain_ID_2
_Gen_dist_constraint.Auth_seq_ID_2
_Gen_dist_constraint.Auth_comp_ID_2
_Gen_dist_constraint.Auth_atom_ID_2
_Gen_dist_constraint.Auth_alt_ID_2
_Gen_dist_constraint.Auth_atom_name_2
_Gen_dist_constraint.Entry_ID
_Gen_dist_constraint.Gen_dist_constraint_list_ID
1 1 . . . . . 167 ARG HB3 H . . . . . . 93 THR MG H . . . . . 4.39270189698 3.51416151758 5.27124227637 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 4
2 1 . . . . . 59 TYR HA H . . . . . . 74 LEU MD1 H . . . . . 4.93074588658 3.94459670926 5.91689506389 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 4
3 1 . . . . . 134 ILE HA H . . . . . . 85 ALA MB H . . . . . 4.59903320344 3.67922656275 5.51883984413 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 4
4 1 . . . . . 116 LEU MD1 H . . . . . . 154 ALA HA H . . . . . 4.50418290166 3.60334632132 5.40501948199 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 4
5 1 . . . . . 134 ILE MD H . . . . . . 128 THR MG H . . . . . 4.96412348907 3.97129879125 5.95694818688 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 4
6 1 . . . . . 116 LEU MD1 H . . . . . . 126 HIS HA H . . . . . 5.46366188707 4.37092950966 6.55639426449 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 4
7 1 . . . . . 134 ILE MG H . . . . . . 85 ALA MB H . . . . . 5.85296051057 4.68236840845 7.02355261268 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 4
8 1 . . . . . 116 LEU MD1 H . . . . . . 126 HIS HA H . . . . . 5.20158528646 4.16126822917 6.24190234376 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 4
9 1 . . . . . 138 VAL MG2 H . . . . . . 85 ALA MB H . . . . . 5.34428046704 4.27542437363 6.41313656045 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 4
10 1 . . . . . 134 ILE MD H . . . . . . 85 ALA MB H . . . . . 5.07882685523 4.06306148419 6.09459222628 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 4
11 1 . . . . . 150 VAL MG1 H . . . . . . 116 LEU MD1 H . . . . . 4.27626577962 3.42101262370 5.13151893554 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 4
12 1 . . . . . 118 LEU MD2 H . . . . . . 125 ILE HG13 H . . . . . 4.54375538846 3.63500431077 5.45250646615 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 4
13 1 . . . . . 167 ARG HB3 H . . . . . . 93 THR HA H . . . . . 3.72976578180 2.98381262544 4.47571893816 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 4
14 1 . . . . . 112 GLY HA3 H . . . . . . 109 GLY H H . . . . . 4.95517056474 3.96413645179 5.94620467769 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 4
15 1 . . . . . 59 TYR HA H . . . . . . 74 LEU HA H . . . . . 3.75432001201 3.00345600961 4.50518401441 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 4
16 1 . . . . . 124 GLY HA2 H . . . . . . 143 ILE HB H . . . . . 4.61008907079 3.68807125663 5.53210688495 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 4
17 1 . . . . . 152 GLU HG2 H . . . . . . 156 ILE MD H . . . . . 4.55120395829 3.64096316663 5.46144474995 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 4
18 1 . . . . . 135 GLY H H . . . . . . 85 ALA MB H . . . . . 4.90098443383 3.92078754707 5.88118132060 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 4
19 1 . . . . . 138 VAL MG2 H . . . . . . 85 ALA MB H . . . . . 5.07819198801 4.06255359041 6.09383038562 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 4
20 1 . . . . . 134 ILE HA H . . . . . . 85 ALA MB H . . . . . 4.29264227889 3.43411382312 5.15117073467 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 4
21 1 . . . . . 167 ARG HB2 H . . . . . . 93 THR MG H . . . . . 4.14008839430 3.31207071544 4.96810607316 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 4
22 1 . . . . . 114 TYR HB3 H . . . . . . 150 VAL MG1 H . . . . . 4.33333265883 3.46666612706 5.19999919060 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 4
23 1 . . . . . 152 GLU HG3 H . . . . . . 156 ILE MD H . . . . . 4.12243991299 3.29795193039 4.94692789559 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 4
24 1 . . . . . 116 LEU MD2 H . . . . . . 154 ALA HA H . . . . . 4.15240859347 3.32192687478 4.98289031217 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 4
25 1 . . . . . 18 ILE MG H . . . . . . 48 ILE MD H . . . . . 4.95577157088 3.96461725670 5.94692588505 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 4
26 1 . . . . . 118 LEU MD2 H . . . . . . 125 ILE MD H . . . . . 4.96959936214 3.97567948972 5.96351923457 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 4
27 1 . . . . . 150 VAL MG1 H . . . . . . 116 LEU MD1 H . . . . . 3.92704559085 3.14163647268 4.71245470902 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 4
28 1 . . . . . 138 VAL MG1 H . . . . . . 85 ALA MB H . . . . . 5.03481493046 4.02785194437 6.04177791656 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 4
29 1 . . . . . 167 ARG HB3 H . . . . . . 93 THR MG H . . . . . 4.13147990099 3.30518392079 4.95777588119 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 4
30 1 . . . . . 150 VAL MG1 H . . . . . . 126 HIS HA H . . . . . 4.80381840485 3.84305472388 5.76458208582 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 4
31 1 . . . . . 114 TYR HB3 H . . . . . . 150 VAL MG2 H . . . . . 4.10962973265 3.28770378612 4.93155567918 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 4
32 1 . . . . . 129 ASN HB3 H . . . . . . 110 PRO HB2 H . . . . . 4.22577614376 3.38062091501 5.07093137251 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 4
33 1 . . . . . 129 ASN HB3 H . . . . . . 110 PRO HA H . . . . . 4.63785317529 3.71028254023 5.56542381035 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 4
34 1 . . . . . 157 VAL HA H . . . . . . 161 THR HG1 H . . . . . 4.32904570816 3.46323656653 5.19485484979 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 4
35 1 . . . . . 118 LEU MD1 H . . . . . . 98 PHE HB2 H . . . . . 4.85574752228 3.88459801782 5.82689702674 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 4
36 1 . . . . . 131 PRO HG3 H . . . . . . 128 THR MG H . . . . . 4.78386824708 3.82709459766 5.74064189649 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 4
37 1 . . . . . 118 LEU MD1 H . . . . . . 98 PHE HB2 H . . . . . 4.75548651278 3.80438921022 5.70658381533 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 4
38 1 . . . . . 167 ARG HB2 H . . . . . . 93 THR MG H . . . . . 4.13147990099 3.30518392079 4.95777588119 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 4
39 1 . . . . . 152 GLU HG2 H . . . . . . 156 ILE MD H . . . . . 3.66016707590 2.92813366072 4.39220049108 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 4
40 1 . . . . . 128 THR MG H . . . . . . 131 PRO HA H . . . . . 4.00407357518 3.20325886014 4.80488829022 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 4
41 1 . . . . . 101 ILE MD H . . . . . . 23 ARG HD3 H . . . . . 4.39085307259 3.51268245808 5.26902368711 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 4
42 1 . . . . . 157 VAL MG2 H . . . . . . 161 THR HG1 H . . . . . 4.93099268663 3.94479414931 5.91719122396 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 4
43 1 . . . . . 18 ILE MG H . . . . . . 48 ILE MD H . . . . . 4.67239362311 3.73791489849 5.60687234773 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 4
44 1 . . . . . 150 VAL MG1 H . . . . . . 126 HIS HA H . . . . . 4.70752785927 3.76602228741 5.64903343112 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 4
45 1 . . . . . 124 GLY HA3 H . . . . . . 143 ILE HB H . . . . . 4.24495213650 3.39596170920 5.09394256381 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 4
46 1 . . . . . 114 TYR HB2 H . . . . . . 150 VAL MG1 H . . . . . 4.43258884487 3.54607107590 5.31910661385 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 4
47 1 . . . . . 132 ALA H H . . . . . . 130 ASN HA H . . . . . 4.35729582225 3.48583665780 5.22875498670 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 4
48 1 . . . . . 116 LEU MD1 H . . . . . . 154 ALA HA H . . . . . 3.64524803166 2.91619842532 4.37429763799 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 4
49 1 . . . . . 57 ILE MD H . . . . . . 161 THR HG1 H . . . . . 4.80563861700 3.84451089360 5.76676634040 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 4
50 1 . . . . . 112 GLY HA3 H . . . . . . 109 GLY HA2 H . . . . . 3.68529428662 2.94823542930 4.42235314394 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 4
51 1 . . . . . 116 LEU MD2 H . . . . . . 154 ALA HA H . . . . . 4.16562461329 3.33249969063 4.99874953595 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 4
52 1 . . . . . 134 ILE MD H . . . . . . 128 THR MG H . . . . . 4.81366472278 3.85093177822 5.77639766734 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 4
53 1 . . . . . 59 TYR HA H . . . . . . 74 LEU MD1 H . . . . . 4.76050438858 3.80840351087 5.71260526630 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 4
54 1 . . . . . 57 ILE MG H . . . . . . 161 THR HG1 H . . . . . 4.93332294638 3.94665835710 5.91998753565 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 4
55 1 . . . . . 118 LEU MD2 H . . . . . . 98 PHE QD H . . . . . 5.33101675116 4.26481340093 6.39722010139 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 4
56 1 . . . . . 152 GLU HG3 H . . . . . . 156 ILE MD H . . . . . 4.60921251137 3.68737000909 5.53105501364 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 4
57 1 . . . . . 131 PRO HB2 H . . . . . . 128 THR MG H . . . . . 4.77724729746 3.82179783797 5.73269675695 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 4
58 1 . . . . . 23 ARG HB2 H . . . . . . 101 ILE MD H . . . . . 5.20192306059 4.16153844847 6.24230767271 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 4
59 1 . . . . . 138 VAL MG1 H . . . . . . 85 ALA MB H . . . . . 4.61047249880 3.68837799904 5.53256699856 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 4
60 1 . . . . . 118 LEU MD1 H . . . . . . 98 PHE QD H . . . . . 5.31246098267 4.24996878614 6.37495317921 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 4
61 1 . . . . . 131 PRO HB3 H . . . . . . 128 THR MG H . . . . . 4.81393869373 3.85115095498 5.77672643247 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 4
62 1 . . . . . 167 ARG HB2 H . . . . . . 93 THR HA H . . . . . 3.73155615238 2.98524492190 4.47786738285 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 4
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