################################### # 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 53026 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name 'Assignments for YY-B1AR-carvedilol - 600 MHz' _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 . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _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 TROSY' . . . 53026 1 2 '2D 1H-15N TROSY' . . . 53026 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 . . 53026 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 21 21 VAL H H 1 8.16 . . . . . . . . 51 VAL H . 53026 1 2 . 1 . 1 21 21 VAL N N 15 120.116 . . . . . . . . 51 VAL N . 53026 1 3 . 1 . 1 22 22 VAL H H 1 8.127 . . . . . . . . 52 VAL H . 53026 1 4 . 1 . 1 22 22 VAL N N 15 119.643 . . . . . . . . 52 VAL N . 53026 1 5 . 1 . 1 26 26 VAL H H 1 8.986 . . . . . . . . 56 VAL H . 53026 1 6 . 1 . 1 26 26 VAL N N 15 119.967 . . . . . . . . 56 VAL N . 53026 1 7 . 1 . 1 30 30 VAL H H 1 8.652 . . . . . . . . 60 VAL H . 53026 1 8 . 1 . 1 30 30 VAL N N 15 121.386 . . . . . . . . 60 VAL N . 53026 1 9 . 1 . 1 32 32 VAL H H 1 7.757 . . . . . . . . 62 VAL H . 53026 1 10 . 1 . 1 32 32 VAL N N 15 118.846 . . . . . . . . 62 VAL N . 53026 1 11 . 1 . 1 59 59 VAL H H 1 8.294 . . . . . . . . 89 VAL H . 53026 1 12 . 1 . 1 59 59 VAL N N 15 119.909 . . . . . . . . 89 VAL N . 53026 1 13 . 1 . 1 60 60 VAL H H 1 7.9 . . . . . . . . 90 VAL H . 53026 1 14 . 1 . 1 60 60 VAL N N 15 122.891 . . . . . . . . 90 VAL N . 53026 1 15 . 1 . 1 64 64 VAL H H 1 7.607 . . . . . . . . 94 VAL H . 53026 1 16 . 1 . 1 64 64 VAL N N 15 118.803 . . . . . . . . 94 VAL N . 53026 1 17 . 1 . 1 65 65 VAL H H 1 9.574 . . . . . . . . 95 VAL H . 53026 1 18 . 1 . 1 65 65 VAL N N 15 121.481 . . . . . . . . 95 VAL N . 53026 1 19 . 1 . 1 72 72 VAL H H 1 7.947 . . . . . . . . 102 VAL H . 53026 1 20 . 1 . 1 72 72 VAL N N 15 119.791 . . . . . . . . 102 VAL N . 53026 1 21 . 1 . 1 73 73 VAL H H 1 8.32 . . . . . . . . 103 VAL H . 53026 1 22 . 1 . 1 73 73 VAL N N 15 116.164 . . . . . . . . 103 VAL N . 53026 1 23 . 1 . 1 92 92 VAL H H 1 7.575 . . . . . . . . 122 VAL H . 53026 1 24 . 1 . 1 92 92 VAL N N 15 119.471 . . . . . . . . 122 VAL N . 53026 1 25 . 1 . 1 95 95 VAL H H 1 7.57 . . . . . . . . 125 VAL H . 53026 1 26 . 1 . 1 95 95 VAL N N 15 122.307 . . . . . . . . 125 VAL N . 53026 1 27 . 1 . 1 99 99 VAL H H 1 7.955 . . . . . . . . 129 VAL H . 53026 1 28 . 1 . 1 99 99 VAL N N 15 121.947 . . . . . . . . 129 VAL N . 53026 1 29 . 1 . 1 104 104 VAL H H 1 7.805 . . . . . . . . 134 VAL H . 53026 1 30 . 1 . 1 104 104 VAL N N 15 119.318 . . . . . . . . 134 VAL N . 53026 1 31 . 1 . 1 110 110 TYR H H 1 8.604 . . . . . . . . 140 TYR H . 53026 1 32 . 1 . 1 110 110 TYR N N 15 121.632 . . . . . . . . 140 TYR N . 53026 1 33 . 1 . 1 119 119 TYR H H 1 8.599 . . . . . . . . 149 TYR H . 53026 1 34 . 1 . 1 119 119 TYR N N 15 121.975 . . . . . . . . 149 TYR N . 53026 1 35 . 1 . 1 130 130 VAL H H 1 7.762 . . . . . . . . 160 VAL H . 53026 1 36 . 1 . 1 130 130 VAL N N 15 120.843 . . . . . . . . 160 VAL N . 53026 1 37 . 1 . 1 135 135 VAL H H 1 8.537 . . . . . . . . 165 VAL H . 53026 1 38 . 1 . 1 135 135 VAL N N 15 122.831 . . . . . . . . 165 VAL N . 53026 1 39 . 1 . 1 142 142 VAL H H 1 8.234 . . . . . . . . 172 VAL H . 53026 1 40 . 1 . 1 142 142 VAL N N 15 108.099 . . . . . . . . 172 VAL N . 53026 1 41 . 1 . 1 163 163 TYR H H 1 8.116 . . . . . . . . 193 TYR H . 53026 1 42 . 1 . 1 163 163 TYR N N 15 120.107 . . . . . . . . 193 TYR N . 53026 1 43 . 1 . 1 172 172 VAL H H 1 7.915 . . . . . . . . 202 VAL H . 53026 1 44 . 1 . 1 172 172 VAL N N 15 125.575 . . . . . . . . 202 VAL N . 53026 1 45 . 1 . 1 177 177 TYR H H 1 9.454 . . . . . . . . 207 TYR H . 53026 1 46 . 1 . 1 177 177 TYR N N 15 117.92 . . . . . . . . 207 TYR N . 53026 1 47 . 1 . 1 187 187 TYR H H 1 8.272 . . . . . . . . 217 TYR H . 53026 1 48 . 1 . 1 187 187 TYR N N 15 116.002 . . . . . . . . 217 TYR N . 53026 1 49 . 1 . 1 196 196 VAL H H 1 9.032 . . . . . . . . 226 VAL H . 53026 1 50 . 1 . 1 196 196 VAL N N 15 118.55 . . . . . . . . 226 VAL N . 53026 1 51 . 1 . 1 197 197 TYR H H 1 9.08 . . . . . . . . 227 TYR H . 53026 1 52 . 1 . 1 197 197 TYR N N 15 122.536 . . . . . . . . 227 TYR N . 53026 1 53 . 1 . 1 200 200 VAL H H 1 8.445 . . . . . . . . 230 VAL H . 53026 1 54 . 1 . 1 200 200 VAL N N 15 122.001 . . . . . . . . 230 VAL N . 53026 1 55 . 1 . 1 201 201 TYR H H 1 8.482 . . . . . . . . 231 TYR H . 53026 1 56 . 1 . 1 201 201 TYR N N 15 121.332 . . . . . . . . 231 TYR N . 53026 1 57 . 1 . 1 222 222 VAL H H 1 7.918 . . . . . . . . 280 VAL H . 53026 1 58 . 1 . 1 222 222 VAL N N 15 119.466 . . . . . . . . 280 VAL N . 53026 1 59 . 1 . 1 240 240 VAL H H 1 9.238 . . . . . . . . 298 VAL H . 53026 1 60 . 1 . 1 240 240 VAL N N 15 122.967 . . . . . . . . 298 VAL N . 53026 1 61 . 1 . 1 251 251 VAL H H 1 8.334 . . . . . . . . 309 VAL H . 53026 1 62 . 1 . 1 251 251 VAL N N 15 118.194 . . . . . . . . 309 VAL N . 53026 1 63 . 1 . 1 254 254 VAL H H 1 8.068 . . . . . . . . 312 VAL H . 53026 1 64 . 1 . 1 254 254 VAL N N 15 121.858 . . . . . . . . 312 VAL N . 53026 1 65 . 1 . 1 256 256 VAL H H 1 7.275 . . . . . . . . 314 VAL H . 53026 1 66 . 1 . 1 256 256 VAL N N 15 115.792 . . . . . . . . 314 VAL N . 53026 1 67 . 1 . 1 262 262 VAL H H 1 8.626 . . . . . . . . 320 VAL H . 53026 1 68 . 1 . 1 262 262 VAL N N 15 118.879 . . . . . . . . 320 VAL N . 53026 1 69 . 1 . 1 268 268 VAL H H 1 8.105 . . . . . . . . 326 VAL H . 53026 1 70 . 1 . 1 268 268 VAL N N 15 118.644 . . . . . . . . 326 VAL N . 53026 1 71 . 1 . 1 275 275 TYR H H 1 7.559 . . . . . . . . 333 TYR H . 53026 1 72 . 1 . 1 275 275 TYR N N 15 123.129 . . . . . . . . 333 TYR N . 53026 1 73 . 1 . 1 285 285 TYR H H 1 8.395 . . . . . . . . 343 TYR H . 53026 1 74 . 1 . 1 285 285 TYR N N 15 117.993 . . . . . . . . 343 TYR N . 53026 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 53026 _Assigned_chem_shift_list.ID 2 _Assigned_chem_shift_list.Name 'Assignments for YY-B1AR-carvedilol - 900 MHz' _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 2 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_2 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _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 TROSY' . . . 53026 2 4 '2D 1H-15N TROSY' . . . 53026 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 . . 53026 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 21 21 VAL H H 1 8.159 . . . . . . . . 51 VAL H . 53026 2 2 . 1 . 1 21 21 VAL N N 15 119.884 . . . . . . . . 51 VAL N . 53026 2 3 . 1 . 1 22 22 VAL H H 1 8.127 . . . . . . . . 52 VAL H . 53026 2 4 . 1 . 1 22 22 VAL N N 15 119.352 . . . . . . . . 52 VAL N . 53026 2 5 . 1 . 1 26 26 VAL H H 1 8.964 . . . . . . . . 56 VAL H . 53026 2 6 . 1 . 1 26 26 VAL N N 15 119.688 . . . . . . . . 56 VAL N . 53026 2 7 . 1 . 1 30 30 VAL H H 1 8.627 . . . . . . . . 60 VAL H . 53026 2 8 . 1 . 1 30 30 VAL N N 15 121.104 . . . . . . . . 60 VAL N . 53026 2 9 . 1 . 1 32 32 VAL H H 1 7.761 . . . . . . . . 62 VAL H . 53026 2 10 . 1 . 1 32 32 VAL N N 15 118.588 . . . . . . . . 62 VAL N . 53026 2 11 . 1 . 1 59 59 VAL H H 1 8.257 . . . . . . . . 89 VAL H . 53026 2 12 . 1 . 1 59 59 VAL N N 15 119.552 . . . . . . . . 89 VAL N . 53026 2 13 . 1 . 1 60 60 VAL H H 1 7.888 . . . . . . . . 90 VAL H . 53026 2 14 . 1 . 1 60 60 VAL N N 15 122.598 . . . . . . . . 90 VAL N . 53026 2 15 . 1 . 1 64 64 VAL H H 1 7.594 . . . . . . . . 94 VAL H . 53026 2 16 . 1 . 1 64 64 VAL N N 15 118.491 . . . . . . . . 94 VAL N . 53026 2 17 . 1 . 1 65 65 VAL H H 1 9.529 . . . . . . . . 95 VAL H . 53026 2 18 . 1 . 1 65 65 VAL N N 15 121.217 . . . . . . . . 95 VAL N . 53026 2 19 . 1 . 1 72 72 VAL H H 1 7.915 . . . . . . . . 102 VAL H . 53026 2 20 . 1 . 1 72 72 VAL N N 15 119.618 . . . . . . . . 102 VAL N . 53026 2 21 . 1 . 1 73 73 VAL H H 1 8.296 . . . . . . . . 103 VAL H . 53026 2 22 . 1 . 1 73 73 VAL N N 15 115.897 . . . . . . . . 103 VAL N . 53026 2 23 . 1 . 1 92 92 VAL H H 1 7.555 . . . . . . . . 122 VAL H . 53026 2 24 . 1 . 1 92 92 VAL N N 15 119.188 . . . . . . . . 122 VAL N . 53026 2 25 . 1 . 1 95 95 VAL H H 1 7.557 . . . . . . . . 125 VAL H . 53026 2 26 . 1 . 1 95 95 VAL N N 15 122.014 . . . . . . . . 125 VAL N . 53026 2 27 . 1 . 1 99 99 VAL H H 1 7.939 . . . . . . . . 129 VAL H . 53026 2 28 . 1 . 1 99 99 VAL N N 15 121.699 . . . . . . . . 129 VAL N . 53026 2 29 . 1 . 1 104 104 VAL H H 1 7.797 . . . . . . . . 134 VAL H . 53026 2 30 . 1 . 1 104 104 VAL N N 15 119.053 . . . . . . . . 134 VAL N . 53026 2 31 . 1 . 1 130 130 VAL H H 1 7.742 . . . . . . . . 160 VAL H . 53026 2 32 . 1 . 1 130 130 VAL N N 15 120.559 . . . . . . . . 160 VAL N . 53026 2 33 . 1 . 1 135 135 VAL H H 1 8.522 . . . . . . . . 165 VAL H . 53026 2 34 . 1 . 1 135 135 VAL N N 15 122.578 . . . . . . . . 165 VAL N . 53026 2 35 . 1 . 1 142 142 VAL H H 1 8.214 . . . . . . . . 172 VAL H . 53026 2 36 . 1 . 1 142 142 VAL N N 15 107.83 . . . . . . . . 172 VAL N . 53026 2 37 . 1 . 1 163 163 TYR H H 1 8.092 . . . . . . . . 193 TYR H . 53026 2 38 . 1 . 1 163 163 TYR N N 15 119.789 . . . . . . . . 193 TYR N . 53026 2 39 . 1 . 1 172 172 VAL H H 1 7.899 . . . . . . . . 202 VAL H . 53026 2 40 . 1 . 1 172 172 VAL N N 15 125.301 . . . . . . . . 202 VAL N . 53026 2 41 . 1 . 1 177 177 TYR H H 1 9.431 . . . . . . . . 207 TYR H . 53026 2 42 . 1 . 1 177 177 TYR N N 15 117.589 . . . . . . . . 207 TYR N . 53026 2 43 . 1 . 1 187 187 TYR H H 1 8.227 . . . . . . . . 217 TYR H . 53026 2 44 . 1 . 1 187 187 TYR N N 15 115.696 . . . . . . . . 217 TYR N . 53026 2 45 . 1 . 1 196 196 VAL H H 1 9.0 . . . . . . . . 226 VAL H . 53026 2 46 . 1 . 1 196 196 VAL N N 15 118.238 . . . . . . . . 226 VAL N . 53026 2 47 . 1 . 1 197 197 TYR H H 1 9.070 . . . . . . . . 227 TYR H . 53026 2 48 . 1 . 1 197 197 TYR N N 15 122.416 . . . . . . . . 227 TYR N . 53026 2 49 . 1 . 1 200 200 VAL H H 1 8.422 . . . . . . . . 230 VAL H . 53026 2 50 . 1 . 1 200 200 VAL N N 15 121.689 . . . . . . . . 230 VAL N . 53026 2 51 . 1 . 1 222 222 VAL H H 1 7.907 . . . . . . . . 280 VAL H . 53026 2 52 . 1 . 1 222 222 VAL N N 15 119.219 . . . . . . . . 280 VAL N . 53026 2 53 . 1 . 1 240 240 VAL H H 1 9.21 . . . . . . . . 298 VAL H . 53026 2 54 . 1 . 1 240 240 VAL N N 15 122.675 . . . . . . . . 298 VAL N . 53026 2 55 . 1 . 1 251 251 VAL H H 1 8.314 . . . . . . . . 309 VAL H . 53026 2 56 . 1 . 1 251 251 VAL N N 15 117.917 . . . . . . . . 309 VAL N . 53026 2 57 . 1 . 1 254 254 VAL H H 1 8.07 . . . . . . . . 312 VAL H . 53026 2 58 . 1 . 1 254 254 VAL N N 15 121.548 . . . . . . . . 312 VAL N . 53026 2 59 . 1 . 1 256 256 VAL H H 1 7.26 . . . . . . . . 314 VAL H . 53026 2 60 . 1 . 1 256 256 VAL N N 15 115.492 . . . . . . . . 314 VAL N . 53026 2 61 . 1 . 1 262 262 VAL H H 1 8.608 . . . . . . . . 320 VAL H . 53026 2 62 . 1 . 1 262 262 VAL N N 15 118.58 . . . . . . . . 320 VAL N . 53026 2 63 . 1 . 1 268 268 VAL H H 1 8.091 . . . . . . . . 326 VAL H . 53026 2 64 . 1 . 1 268 268 VAL N N 15 118.348 . . . . . . . . 326 VAL N . 53026 2 65 . 1 . 1 275 275 TYR H H 1 7.535 . . . . . . . . 333 TYR H . 53026 2 66 . 1 . 1 275 275 TYR N N 15 122.878 . . . . . . . . 333 TYR N . 53026 2 67 . 1 . 1 285 285 TYR H H 1 8.415 . . . . . . . . 343 TYR H . 53026 2 68 . 1 . 1 285 285 TYR N N 15 117.816 . . . . . . . . 343 TYR N . 53026 2 stop_ save_