################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 50637 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name 'assigned chem shift list 1' _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err 0.02 _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err 0.1 _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC/HMQC' . . . 50637 1 2 '2D 1H-1H NOESY' . . . 50637 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $software_1 . . 50637 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 . 1 1 1 G H1 H 1 12.986 0.0 . 1 . . 41 . . 1 G H1 . 50637 1 2 . 1 . 1 1 1 G N1 N 15 148.239 . . 1 . . 42 . . 1 G N1 . 50637 1 3 . 1 . 1 4 4 G H1 H 1 12.078 0.0 . 1 . . 65 . . 4 G H1 . 50637 1 4 . 1 . 1 4 4 G N1 N 15 146.424 . . 1 . . 66 . . 4 G N1 . 50637 1 5 . 1 . 1 5 5 G H1 H 1 12.548 0.006 . 1 . . 57 . . 5 G H1 . 50637 1 6 . 1 . 1 5 5 G N1 N 15 147.224 . . 1 . . 58 . . 5 G N1 . 50637 1 7 . 1 . 1 6 6 G H1 H 1 12.544 0.002 . 1 . . 55 . . 6 G H1 . 50637 1 8 . 1 . 1 6 6 G N1 N 15 147.180 . . 1 . . 56 . . 6 G N1 . 50637 1 9 . 1 . 1 10 10 U H3 H 1 15.193 0.003 . 1 . . 3 . . 10 U H3 . 50637 1 10 . 1 . 1 10 10 U N3 N 15 164.247 . . 1 . . 4 . . 10 U N3 . 50637 1 11 . 1 . 1 15 15 U H3 H 1 11.147 0.001 . 1 . . 21 . . 15 U H3 . 50637 1 12 . 1 . 1 15 15 U N3 N 15 157.615 . . 1 . . 22 . . 15 U N3 . 50637 1 13 . 1 . 1 23 23 G H1 H 1 13.498 0.006 . 1 . . 33 . . 23 G H1 . 50637 1 14 . 1 . 1 23 23 G N1 N 15 148.386 . . 1 . . 34 . . 23 G N1 . 50637 1 15 . 1 . 1 24 24 G H1 H 1 13.963 0.003 . 1 . . 29 . . 24 G H1 . 50637 1 16 . 1 . 1 24 24 G N1 N 15 149.520 . . 1 . . 30 . . 24 G N1 . 50637 1 17 . 1 . 1 25 25 U H3 H 1 10.827 0.002 . 1 . . 23 . . 25 U H3 . 50637 1 18 . 1 . 1 25 25 U N3 N 15 159.401 . . 1 . . 24 . . 25 U N3 . 50637 1 19 . 1 . 1 27 27 G H1 H 1 11.328 0.0 . 1 . . 71 . . 27 G H1 . 50637 1 20 . 1 . 1 27 27 G N1 N 15 143.102 . . 1 . . 72 . . 27 G N1 . 50637 1 21 . 1 . 1 28 28 U H3 H 1 13.279 0.001 . 1 . . 11 . . 28 U H3 . 50637 1 22 . 1 . 1 28 28 U N3 N 15 162.000 . . 1 . . 12 . . 28 U N3 . 50637 1 23 . 1 . 1 30 30 G H1 H 1 11.416 0.002 . 1 . . 73 . . 30 G H1 . 50637 1 24 . 1 . 1 30 30 G N1 N 15 144.740 . . 1 . . 74 . . 30 G N1 . 50637 1 25 . 1 . 1 33 33 G H1 H 1 13.671 0.004 . 1 . . 31 . . 33 G H1 . 50637 1 26 . 1 . 1 33 33 G N1 N 15 148.199 . . 1 . . 32 . . 33 G N1 . 50637 1 27 . 1 . 1 42 42 U H3 H 1 13.473 0.001 . 1 . . 7 . . 42 U H3 . 50637 1 28 . 1 . 1 42 42 U N3 N 15 161.613 . . 1 . . 8 . . 42 U N3 . 50637 1 29 . 1 . 1 43 43 G H1 H 1 12.654 0.001 . 1 . . 49 . . 43 G H1 . 50637 1 30 . 1 . 1 43 43 G N1 N 15 147.500 . . 1 . . 50 . . 43 G N1 . 50637 1 31 . 1 . 1 44 44 U H3 H 1 11.981 0.003 . 1 . . 13 . . 44 U H3 . 50637 1 32 . 1 . 1 44 44 U N3 N 15 158.583 . . 1 . . 14 . . 44 U N3 . 50637 1 33 . 1 . 1 45 45 U H3 H 1 13.364 0.002 . 1 . . 9 . . 45 U H3 . 50637 1 34 . 1 . 1 45 45 U N3 N 15 161.549 . . 1 . . 10 . . 45 U N3 . 50637 1 35 . 1 . 1 47 47 U H3 H 1 11.484 0.0 . 1 . . 15 . . 47 U H3 . 50637 1 36 . 1 . 1 47 47 U N3 N 15 158.947 . . 1 . . 16 . . 47 U N3 . 50637 1 37 . 1 . 1 48 48 G H1 H 1 11.277 0.0 . 1 . . 75 . . 48 G H1 . 50637 1 38 . 1 . 1 48 48 G N1 N 15 146.327 . . 1 . . 76 . . 48 G N1 . 50637 1 39 . 1 . 1 49 49 U H3 H 1 11.481 0.001 . 1 . . 17 . . 49 U H3 . 50637 1 40 . 1 . 1 49 49 U N3 N 15 159.374 . . 1 . . 18 . . 49 U N3 . 50637 1 41 . 1 . 1 52 52 U H3 H 1 11.343 0.0 . 1 . . 20 . . 52 U H3 . 50637 1 42 . 1 . 1 52 52 U N3 N 15 159.709 . . 1 . . 19 . . 52 U N3 . 50637 1 43 . 1 . 1 53 53 U H3 H 1 10.293 0.001 . 1 . . 25 . . 53 U H3 . 50637 1 44 . 1 . 1 53 53 U N3 N 15 156.500 . . 1 . . 26 . . 53 U N3 . 50637 1 45 . 1 . 1 54 54 G H1 H 1 12.549 0.0 . 1 . . 51 . . 54 G H1 . 50637 1 46 . 1 . 1 54 54 G N1 N 15 147.563 . . 1 . . 52 . . 54 G N1 . 50637 1 47 . 1 . 1 55 55 G H1 H 1 12.984 0.0 . 1 . . 43 . . 55 G H1 . 50637 1 48 . 1 . 1 55 55 G N1 N 15 147.887 . . 1 . . 44 . . 55 G N1 . 50637 1 49 . 1 . 1 58 58 G H1 H 1 11.774 0.002 . 1 . . 69 . . 58 G H1 . 50637 1 50 . 1 . 1 58 58 G N1 N 15 146.201 . . 1 . . 70 . . 58 G N1 . 50637 1 51 . 1 . 1 60 60 G H1 H 1 12.769 0.003 . 1 . . 47 . . 60 G H1 . 50637 1 52 . 1 . 1 60 60 G N1 N 15 147.957 . . 1 . . 48 . . 60 G N1 . 50637 1 53 . 1 . 1 61 61 G H1 H 1 12.240 0.0 . 1 . . 63 . . 61 G H1 . 50637 1 54 . 1 . 1 61 61 G N1 N 15 147.544 . . 1 . . 64 . . 61 G N1 . 50637 1 55 . 1 . 1 63 63 U H3 H 1 13.821 0.001 . 1 . . 5 . . 63 U H3 . 50637 1 56 . 1 . 1 63 63 U N3 N 15 160.037 . . 1 . . 6 . . 63 U N3 . 50637 1 57 . 1 . 1 66 66 G H1 H 1 12.418 0.002 . 1 . . 61 . . 66 G H1 . 50637 1 58 . 1 . 1 66 66 G N1 N 15 148.130 . . 1 . . 62 . . 66 G N1 . 50637 1 59 . 1 . 1 67 67 U H3 H 1 13.882 0.002 . 1 . . 2 . . 67 U H3 . 50637 1 60 . 1 . 1 67 67 U N3 N 15 162.558 . . 1 . . 1 . . 67 U N3 . 50637 1 61 . 1 . 1 68 68 G H1 H 1 11.975 0.002 . 1 . . 67 . . 68 G H1 . 50637 1 62 . 1 . 1 68 68 G N1 N 15 146.787 . . 1 . . 68 . . 68 G N1 . 50637 1 63 . 1 . 1 71 71 G H1 H 1 13.041 0.0 . 1 . . 39 . . 71 G H1 . 50637 1 64 . 1 . 1 71 71 G N1 N 15 147.968 . . 1 . . 40 . . 71 G N1 . 50637 1 65 . 1 . 1 74 74 G H1 H 1 10.639 0.0 . 1 . . 77 . . 74 G H1 . 50637 1 66 . 1 . 1 74 74 G N1 N 15 146.175 . . 1 . . 78 . . 74 G N1 . 50637 1 67 . 1 . 1 78 78 G H1 H 1 12.552 0.002 . 1 . . 53 . . 78 G H1 . 50637 1 68 . 1 . 1 78 78 G N1 N 15 147.140 . . 1 . . 54 . . 78 G N1 . 50637 1 69 . 1 . 1 79 79 G H1 H 1 13.141 0.001 . 1 . . 37 . . 79 G H1 . 50637 1 70 . 1 . 1 79 79 G N1 N 15 148.339 . . 1 . . 38 . . 79 G N1 . 50637 1 71 . 1 . 1 81 81 G H1 H 1 12.553 0.0 . 1 . . 59 . . 81 G H1 . 50637 1 72 . 1 . 1 81 81 G N1 N 15 147.268 . . 1 . . 60 . . 81 G N1 . 50637 1 73 . 1 . 1 89 89 G H1 H 1 13.175 0.004 . 1 . . 35 . . 89 G H1 . 50637 1 74 . 1 . 1 89 89 G N1 N 15 147.754 . . 1 . . 36 . . 89 G N1 . 50637 1 75 . 1 . 1 95 95 G H1 H 1 14.334 0.005 . 1 . . 27 . . 95 G H1 . 50637 1 76 . 1 . 1 95 95 G N1 N 15 153.205 . . 1 . . 28 . . 95 G N1 . 50637 1 77 . 1 . 1 99 99 G H1 H 1 12.967 0.0 . 1 . . 45 . . 99 G H1 . 50637 1 78 . 1 . 1 99 99 G N1 N 15 147.897 . . 1 . . 46 . . 99 G N1 . 50637 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chemical_shifts_2 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_2 _Assigned_chem_shift_list.Entry_ID 50637 _Assigned_chem_shift_list.ID 2 _Assigned_chem_shift_list.Name 'assigned chem shift list 1 2' _Assigned_chem_shift_list.Sample_condition_list_ID 2 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_2 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err 0.02 _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err 0.1 _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 3 '2D 1H-15N HSQC/HMQC' . . . 50637 2 4 '2D 1H-1H NOESY' . . . 50637 2 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $software_1 . . 50637 2 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 . 1 1 1 G H1 H 1 12.975 0.0 . 1 . . 41 . . 1 G H1 . 50637 2 2 . 1 . 1 1 1 G N1 N 15 148.276 . . 1 . . 42 . . 1 G N1 . 50637 2 3 . 1 . 1 4 4 G H1 H 1 12.089 0.0 . 1 . . 65 . . 4 G H1 . 50637 2 4 . 1 . 1 4 4 G N1 N 15 146.423 . . 1 . . 66 . . 4 G N1 . 50637 2 5 . 1 . 1 5 5 G H1 H 1 12.548 0.0 . 1 . . 57 . . 5 G H1 . 50637 2 6 . 1 . 1 5 5 G N1 N 15 147.213 . . 1 . . 58 . . 5 G N1 . 50637 2 7 . 1 . 1 6 6 G H1 H 1 12.554 0.0 . 1 . . 55 . . 6 G H1 . 50637 2 8 . 1 . 1 6 6 G N1 N 15 147.157 . . 1 . . 56 . . 6 G N1 . 50637 2 9 . 1 . 1 10 10 U H3 H 1 15.119 0.001 . 1 . . 3 . . 10 U H3 . 50637 2 10 . 1 . 1 10 10 U N3 N 15 164.102 . . 1 . . 4 . . 10 U N3 . 50637 2 11 . 1 . 1 15 15 U H3 H 1 11.126 0.0 . 1 . . 21 . . 15 U H3 . 50637 2 12 . 1 . 1 15 15 U N3 N 15 157.587 . . 1 . . 22 . . 15 U N3 . 50637 2 13 . 1 . 1 23 23 G H1 H 1 13.470 0.001 . 1 . . 33 . . 23 G H1 . 50637 2 14 . 1 . 1 23 23 G N1 N 15 148.374 . . 1 . . 34 . . 23 G N1 . 50637 2 15 . 1 . 1 24 24 G H1 H 1 13.939 0.0 . 1 . . 29 . . 24 G H1 . 50637 2 16 . 1 . 1 24 24 G N1 N 15 149.465 . . 1 . . 30 . . 24 G N1 . 50637 2 17 . 1 . 1 25 25 U H3 H 1 10.802 0.0 . 1 . . 23 . . 25 U H3 . 50637 2 18 . 1 . 1 25 25 U N3 N 15 159.361 . . 1 . . 24 . . 25 U N3 . 50637 2 19 . 1 . 1 27 27 G H1 H 1 11.303 0.0 . 1 . . 71 . . 27 G H1 . 50637 2 20 . 1 . 1 27 27 G N1 N 15 143.186 . . 1 . . 72 . . 27 G N1 . 50637 2 21 . 1 . 1 28 28 U H3 H 1 13.271 0.0 . 1 . . 11 . . 28 U H3 . 50637 2 22 . 1 . 1 28 28 U N3 N 15 161.941 . . 1 . . 12 . . 28 U N3 . 50637 2 23 . 1 . 1 30 30 G H1 H 1 11.383 0.0 . 1 . . 73 . . 30 G H1 . 50637 2 24 . 1 . 1 30 30 G N1 N 15 144.745 . . 1 . . 74 . . 30 G N1 . 50637 2 25 . 1 . 1 33 33 G H1 H 1 13.649 0.0 . 1 . . 31 . . 33 G H1 . 50637 2 26 . 1 . 1 33 33 G N1 N 15 148.177 . . 1 . . 32 . . 33 G N1 . 50637 2 27 . 1 . 1 42 42 U H3 H 1 13.443 0.0 . 1 . . 7 . . 42 U H3 . 50637 2 28 . 1 . 1 42 42 U N3 N 15 161.529 . . 1 . . 8 . . 42 U N3 . 50637 2 29 . 1 . 1 43 43 G H1 H 1 12.665 0.0 . 1 . . 49 . . 43 G H1 . 50637 2 30 . 1 . 1 43 43 G N1 N 15 147.546 . . 1 . . 50 . . 43 G N1 . 50637 2 31 . 1 . 1 44 44 U H3 H 1 11.955 0.0 . 1 . . 13 . . 44 U H3 . 50637 2 32 . 1 . 1 44 44 U N3 N 15 158.559 . . 1 . . 14 . . 44 U N3 . 50637 2 33 . 1 . 1 45 45 U H3 H 1 13.347 0.0 . 1 . . 9 . . 45 U H3 . 50637 2 34 . 1 . 1 45 45 U N3 N 15 161.511 . . 1 . . 10 . . 45 U N3 . 50637 2 35 . 1 . 1 47 47 U H3 H 1 11.481 0.0 . 1 . . 15 . . 47 U H3 . 50637 2 36 . 1 . 1 47 47 U N3 N 15 159.046 . . 1 . . 16 . . 47 U N3 . 50637 2 37 . 1 . 1 48 48 G H1 H 1 11.216 0.0 . 1 . . 75 . . 48 G H1 . 50637 2 38 . 1 . 1 48 48 G N1 N 15 146.285 . . 1 . . 76 . . 48 G N1 . 50637 2 39 . 1 . 1 49 49 U H3 H 1 11.480 0.0 . 1 . . 17 . . 49 U H3 . 50637 2 40 . 1 . 1 49 49 U N3 N 15 159.389 . . 1 . . 18 . . 49 U N3 . 50637 2 41 . 1 . 1 52 52 U H3 H 1 11.341 0.0 . 1 . . 20 . . 52 U H3 . 50637 2 42 . 1 . 1 52 52 U N3 N 15 159.655 . . 1 . . 19 . . 52 U N3 . 50637 2 43 . 1 . 1 53 53 U H3 H 1 10.266 0.0 . 1 . . 25 . . 53 U H3 . 50637 2 44 . 1 . 1 53 53 U N3 N 15 156.437 . . 1 . . 26 . . 53 U N3 . 50637 2 45 . 1 . 1 54 54 G H1 H 1 12.543 0.0 . 1 . . 51 . . 54 G H1 . 50637 2 46 . 1 . 1 54 54 G N1 N 15 147.697 . . 1 . . 52 . . 54 G N1 . 50637 2 47 . 1 . 1 55 55 G H1 H 1 12.958 0.0 . 1 . . 43 . . 55 G H1 . 50637 2 48 . 1 . 1 55 55 G N1 N 15 147.871 . . 1 . . 44 . . 55 G N1 . 50637 2 49 . 1 . 1 58 58 G H1 H 1 11.763 0.0 . 1 . . 69 . . 58 G H1 . 50637 2 50 . 1 . 1 58 58 G N1 N 15 146.253 . . 1 . . 70 . . 58 G N1 . 50637 2 51 . 1 . 1 60 60 G H1 H 1 12.775 0.0 . 1 . . 47 . . 60 G H1 . 50637 2 52 . 1 . 1 60 60 G N1 N 15 148.023 . . 1 . . 48 . . 60 G N1 . 50637 2 53 . 1 . 1 61 61 G H1 H 1 12.246 0.0 . 1 . . 63 . . 61 G H1 . 50637 2 54 . 1 . 1 61 61 G N1 N 15 147.555 . . 1 . . 64 . . 61 G N1 . 50637 2 55 . 1 . 1 63 63 U H3 H 1 13.796 0.0 . 1 . . 5 . . 63 U H3 . 50637 2 56 . 1 . 1 63 63 U N3 N 15 160.022 . . 1 . . 6 . . 63 U N3 . 50637 2 57 . 1 . 1 66 66 G H1 H 1 12.417 0.0 . 1 . . 61 . . 66 G H1 . 50637 2 58 . 1 . 1 66 66 G N1 N 15 148.119 . . 1 . . 62 . . 66 G N1 . 50637 2 59 . 1 . 1 67 67 U H3 H 1 13.837 0.0 . 1 . . 2 . . 67 U H3 . 50637 2 60 . 1 . 1 67 67 U N3 N 15 162.435 . . 1 . . 1 . . 67 U N3 . 50637 2 61 . 1 . 1 68 68 G H1 H 1 11.956 0.0 . 1 . . 67 . . 68 G H1 . 50637 2 62 . 1 . 1 68 68 G N1 N 15 146.769 . . 1 . . 68 . . 68 G N1 . 50637 2 63 . 1 . 1 71 71 G H1 H 1 13.024 0.0 . 1 . . 39 . . 71 G H1 . 50637 2 64 . 1 . 1 71 71 G N1 N 15 148.006 . . 1 . . 40 . . 71 G N1 . 50637 2 65 . 1 . 1 74 74 G H1 H 1 10.581 0.0 . 1 . . 77 . . 74 G H1 . 50637 2 66 . 1 . 1 74 74 G N1 N 15 146.090 . . 1 . . 78 . . 74 G N1 . 50637 2 67 . 1 . 1 78 78 G H1 H 1 12.563 0.0 . 1 . . 53 . . 78 G H1 . 50637 2 68 . 1 . 1 78 78 G N1 N 15 147.157 . . 1 . . 54 . . 78 G N1 . 50637 2 69 . 1 . 1 79 79 G H1 H 1 13.120 0.0 . 1 . . 37 . . 79 G H1 . 50637 2 70 . 1 . 1 79 79 G N1 N 15 148.312 . . 1 . . 38 . . 79 G N1 . 50637 2 71 . 1 . 1 81 81 G H1 H 1 12.559 0.0 . 1 . . 59 . . 81 G H1 . 50637 2 72 . 1 . 1 81 81 G N1 N 15 147.257 . . 1 . . 60 . . 81 G N1 . 50637 2 73 . 1 . 1 89 89 G H1 H 1 13.165 0.0 . 1 . . 35 . . 89 G H1 . 50637 2 74 . 1 . 1 89 89 G N1 N 15 147.761 . . 1 . . 36 . . 89 G N1 . 50637 2 75 . 1 . 1 95 95 G H1 H 1 14.275 0.0 . 1 . . 27 . . 95 G H1 . 50637 2 76 . 1 . 1 95 95 G N1 N 15 153.119 . . 1 . . 28 . . 95 G N1 . 50637 2 77 . 1 . 1 99 99 G H1 H 1 12.926 0.0 . 1 . . 45 . . 99 G H1 . 50637 2 78 . 1 . 1 99 99 G N1 N 15 147.822 . . 1 . . 46 . . 99 G N1 . 50637 2 stop_ save_