################################### # 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_chem_shift_list _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list _Assigned_chem_shift_list.Entry_ID 18378 _Assigned_chem_shift_list.ID 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 $chemical_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 'Origin nmrStar file /ebi/msd/pdb_root/Processing/prepare/4apd/ebi/liraglutide_nmr_assign_3_4.txt.csh' _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 NOESY 1 $sample_1 solution 18378 1 2 TOCSY 1 $sample_1 solution 18378 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_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.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 HIS HA H 1 3.97 . . 1 . 1 . . 1 HIS HA . 18378 1 2 . 1 1 1 1 HIS HB2 H 1 3.05 . . 2 . 2 . . 1 HIS HB2 . 18378 1 3 . 1 1 1 1 HIS HB3 H 1 3.11 . . 2 . 3 . . 1 HIS HB3 . 18378 1 4 . 1 1 1 1 HIS HD2 H 1 7.05 . . 1 . 4 . . 1 HIS HD2 . 18378 1 5 . 1 1 1 1 HIS HE1 H 1 7.85 . . 1 . 5 . . 1 HIS HE1 . 18378 1 6 . 1 1 2 2 ALA HA H 1 4.37 . . 1 . 6 . . 2 ALA HA . 18378 1 7 . 1 1 2 2 ALA HB1 H 1 1.39 . . 1 . 7 . . 2 ALA HB1 . 18378 1 8 . 1 1 2 2 ALA HB2 H 1 1.39 . . 1 . 7 . . 2 ALA HB2 . 18378 1 9 . 1 1 2 2 ALA HB3 H 1 1.39 . . 1 . 7 . . 2 ALA HB3 . 18378 1 10 . 1 1 3 3 GLU H H 1 8.70 . . 1 . 8 . . 3 GLU H . 18378 1 11 . 1 1 3 3 GLU HA H 1 4.31 . . 1 . 9 . . 3 GLU HA . 18378 1 12 . 1 1 3 3 GLU HB2 H 1 2.00 . . 2 . 10 . . 3 GLU HB2 . 18378 1 13 . 1 1 3 3 GLU HB3 H 1 2.11 . . 2 . 11 . . 3 GLU HB3 . 18378 1 14 . 1 1 3 3 GLU HG2 H 1 2.33 . . 2 . 12 . . 3 GLU HG2 . 18378 1 15 . 1 1 3 3 GLU HG3 H 1 2.33 . . 2 . 13 . . 3 GLU HG3 . 18378 1 16 . 1 1 4 4 GLY H H 1 8.50 . . 1 . 14 . . 4 GLY H . 18378 1 17 . 1 1 4 4 GLY HA2 H 1 4.01 . . 2 . 15 . . 4 GLY HA2 . 18378 1 18 . 1 1 4 4 GLY HA3 H 1 4.01 . . 2 . 16 . . 4 GLY HA3 . 18378 1 19 . 1 1 5 5 THR H H 1 7.97 . . 1 . 17 . . 5 THR H . 18378 1 20 . 1 1 5 5 THR HA H 1 4.34 . . 1 . 18 . . 5 THR HA . 18378 1 21 . 1 1 5 5 THR HB H 1 4.15 . . 1 . 19 . . 5 THR HB . 18378 1 22 . 1 1 5 5 THR HG21 H 1 1.11 . . 1 . 20 . . 5 THR HG21 . 18378 1 23 . 1 1 5 5 THR HG22 H 1 1.11 . . 1 . 20 . . 5 THR HG22 . 18378 1 24 . 1 1 5 5 THR HG23 H 1 1.11 . . 1 . 20 . . 5 THR HG23 . 18378 1 25 . 1 1 6 6 PHE H H 1 8.42 . . 1 . 21 . . 6 PHE H . 18378 1 26 . 1 1 6 6 PHE HA H 1 4.70 . . 1 . 22 . . 6 PHE HA . 18378 1 27 . 1 1 6 6 PHE HB2 H 1 3.00 . . 2 . 23 . . 6 PHE HB2 . 18378 1 28 . 1 1 6 6 PHE HB3 H 1 3.13 . . 2 . 24 . . 6 PHE HB3 . 18378 1 29 . 1 1 6 6 PHE HD1 H 1 7.20 . . 3 . 25 . . 6 PHE HD1 . 18378 1 30 . 1 1 6 6 PHE HD2 H 1 7.20 . . 3 . 26 . . 6 PHE HD2 . 18378 1 31 . 1 1 6 6 PHE HE1 H 1 7.25 . . 3 . 27 . . 6 PHE HE1 . 18378 1 32 . 1 1 6 6 PHE HE2 H 1 7.25 . . 3 . 28 . . 6 PHE HE2 . 18378 1 33 . 1 1 7 7 THR H H 1 8.12 . . 1 . 29 . . 7 THR H . 18378 1 34 . 1 1 7 7 THR HA H 1 4.31 . . 1 . 30 . . 7 THR HA . 18378 1 35 . 1 1 7 7 THR HB H 1 4.22 . . 1 . 31 . . 7 THR HB . 18378 1 36 . 1 1 7 7 THR HG21 H 1 1.17 . . 1 . 32 . . 7 THR HG21 . 18378 1 37 . 1 1 7 7 THR HG22 H 1 1.17 . . 1 . 32 . . 7 THR HG22 . 18378 1 38 . 1 1 7 7 THR HG23 H 1 1.17 . . 1 . 32 . . 7 THR HG23 . 18378 1 39 . 1 1 8 8 SER H H 1 8.24 . . 1 . 33 . . 8 SER H . 18378 1 40 . 1 1 8 8 SER HA H 1 4.45 . . 1 . 34 . . 8 SER HA . 18378 1 41 . 1 1 8 8 SER HB2 H 1 3.93 . . 2 . 35 . . 8 SER HB2 . 18378 1 42 . 1 1 8 8 SER HB3 H 1 3.87 . . 2 . 36 . . 8 SER HB3 . 18378 1 43 . 1 1 9 9 ASP H H 1 8.43 . . 1 . 37 . . 9 ASP H . 18378 1 44 . 1 1 9 9 ASP HA H 1 4.68 . . 1 . 38 . . 9 ASP HA . 18378 1 45 . 1 1 9 9 ASP HB2 H 1 2.75 . . 2 . 39 . . 9 ASP HB2 . 18378 1 46 . 1 1 9 9 ASP HB3 H 1 2.70 . . 2 . 40 . . 9 ASP HB3 . 18378 1 47 . 1 1 10 10 VAL H H 1 8.17 . . 1 . 41 . . 10 VAL H . 18378 1 48 . 1 1 10 10 VAL HA H 1 4.05 . . 1 . 42 . . 10 VAL HA . 18378 1 49 . 1 1 10 10 VAL HB H 1 2.11 . . 1 . 43 . . 10 VAL HB . 18378 1 50 . 1 1 10 10 VAL HG11 H 1 0.90 . . 2 . 44 . . 10 VAL HG11 . 18378 1 51 . 1 1 10 10 VAL HG12 H 1 0.90 . . 2 . 44 . . 10 VAL HG12 . 18378 1 52 . 1 1 10 10 VAL HG13 H 1 0.90 . . 2 . 44 . . 10 VAL HG13 . 18378 1 53 . 1 1 10 10 VAL HG21 H 1 0.90 . . 2 . 45 . . 10 VAL HG21 . 18378 1 54 . 1 1 10 10 VAL HG22 H 1 0.90 . . 2 . 45 . . 10 VAL HG22 . 18378 1 55 . 1 1 10 10 VAL HG23 H 1 0.90 . . 2 . 45 . . 10 VAL HG23 . 18378 1 56 . 1 1 11 11 SER H H 1 8.17 . . 1 . 46 . . 11 SER H . 18378 1 57 . 1 1 11 11 SER HA H 1 4.39 . . 1 . 47 . . 11 SER HA . 18378 1 58 . 1 1 11 11 SER HB2 H 1 3.84 . . 2 . 48 . . 11 SER HB2 . 18378 1 59 . 1 1 11 11 SER HB3 H 1 3.84 . . 2 . 49 . . 11 SER HB3 . 18378 1 60 . 1 1 12 12 SER H H 1 8.32 . . 1 . 50 . . 12 SER H . 18378 1 61 . 1 1 12 12 SER HA H 1 4.30 . . 1 . 51 . . 12 SER HA . 18378 1 62 . 1 1 12 12 SER HB2 H 1 3.87 . . 2 . 52 . . 12 SER HB2 . 18378 1 63 . 1 1 12 12 SER HB3 H 1 3.92 . . 2 . 53 . . 12 SER HB3 . 18378 1 64 . 1 1 13 13 TYR H H 1 7.97 . . 1 . 54 . . 13 TYR H . 18378 1 65 . 1 1 13 13 TYR HA H 1 4.48 . . 1 . 55 . . 13 TYR HA . 18378 1 66 . 1 1 13 13 TYR HB2 H 1 2.95 . . 2 . 56 . . 13 TYR HB2 . 18378 1 67 . 1 1 13 13 TYR HB3 H 1 3.01 . . 2 . 57 . . 13 TYR HB3 . 18378 1 68 . 1 1 13 13 TYR HD1 H 1 6.99 . . 3 . 58 . . 13 TYR HD1 . 18378 1 69 . 1 1 13 13 TYR HD2 H 1 6.99 . . 3 . 59 . . 13 TYR HD2 . 18378 1 70 . 1 1 13 13 TYR HE1 H 1 6.72 . . 3 . 60 . . 13 TYR HE1 . 18378 1 71 . 1 1 13 13 TYR HE2 H 1 6.72 . . 3 . 61 . . 13 TYR HE2 . 18378 1 72 . 1 1 14 14 LEU H H 1 7.96 . . 1 . 62 . . 14 LEU H . 18378 1 73 . 1 1 14 14 LEU HA H 1 4.18 . . 1 . 63 . . 14 LEU HA . 18378 1 74 . 1 1 14 14 LEU HB2 H 1 1.52 . . 2 . 64 . . 14 LEU HB2 . 18378 1 75 . 1 1 14 14 LEU HB3 H 1 1.52 . . 2 . 65 . . 14 LEU HB3 . 18378 1 76 . 1 1 14 14 LEU HG H 1 1.63 . . 1 . 66 . . 14 LEU HG . 18378 1 77 . 1 1 14 14 LEU HD11 H 1 0.79 . . 2 . 67 . . 14 LEU HD11 . 18378 1 78 . 1 1 14 14 LEU HD12 H 1 0.79 . . 2 . 67 . . 14 LEU HD12 . 18378 1 79 . 1 1 14 14 LEU HD13 H 1 0.79 . . 2 . 67 . . 14 LEU HD13 . 18378 1 80 . 1 1 14 14 LEU HD21 H 1 0.84 . . 2 . 68 . . 14 LEU HD21 . 18378 1 81 . 1 1 14 14 LEU HD22 H 1 0.84 . . 2 . 68 . . 14 LEU HD22 . 18378 1 82 . 1 1 14 14 LEU HD23 H 1 0.84 . . 2 . 68 . . 14 LEU HD23 . 18378 1 83 . 1 1 15 15 GLU H H 1 7.59 . . 1 . 69 . . 15 GLU H . 18378 1 84 . 1 1 15 15 GLU HA H 1 4.14 . . 1 . 70 . . 15 GLU HA . 18378 1 85 . 1 1 15 15 GLU HB2 H 1 2.16 . . 2 . 71 . . 15 GLU HB2 . 18378 1 86 . 1 1 15 15 GLU HB3 H 1 1.87 . . 2 . 72 . . 15 GLU HB3 . 18378 1 87 . 1 1 15 15 GLU HG2 H 1 2.05 . . 2 . 73 . . 15 GLU HG2 . 18378 1 88 . 1 1 15 15 GLU HG3 H 1 2.05 . . 2 . 74 . . 15 GLU HG3 . 18378 1 89 . 1 1 17 17 GLN H H 1 8.22 . . 1 . 75 . . 17 GLN H . 18378 1 90 . 1 1 17 17 GLN HA H 1 4.12 . . 1 . 76 . . 17 GLN HA . 18378 1 91 . 1 1 17 17 GLN HB2 H 1 2.07 . . 2 . 77 . . 17 GLN HB2 . 18378 1 92 . 1 1 17 17 GLN HB3 H 1 2.07 . . 2 . 78 . . 17 GLN HB3 . 18378 1 93 . 1 1 17 17 GLN HG2 H 1 2.32 . . 2 . 79 . . 17 GLN HG2 . 18378 1 94 . 1 1 17 17 GLN HG3 H 1 2.32 . . 2 . 80 . . 17 GLN HG3 . 18378 1 95 . 1 1 17 17 GLN HE21 H 1 7.53 . . 1 . 81 . . 17 GLN HE21 . 18378 1 96 . 1 1 17 17 GLN HE22 H 1 6.68 . . 1 . 82 . . 17 GLN HE22 . 18378 1 97 . 1 1 18 18 ALA H H 1 8.19 . . 1 . 83 . . 18 ALA H . 18378 1 98 . 1 1 18 18 ALA HA H 1 4.15 . . 1 . 84 . . 18 ALA HA . 18378 1 99 . 1 1 18 18 ALA HB1 H 1 1.38 . . 1 . 85 . . 18 ALA HB1 . 18378 1 100 . 1 1 18 18 ALA HB2 H 1 1.38 . . 1 . 85 . . 18 ALA HB2 . 18378 1 101 . 1 1 18 18 ALA HB3 H 1 1.38 . . 1 . 85 . . 18 ALA HB3 . 18378 1 102 . 1 1 19 19 ALA H H 1 8.07 . . 1 . 86 . . 19 ALA H . 18378 1 103 . 1 1 19 19 ALA HA H 1 4.03 . . 1 . 87 . . 19 ALA HA . 18378 1 104 . 1 1 19 19 ALA HB1 H 1 1.36 . . 1 . 88 . . 19 ALA HB1 . 18378 1 105 . 1 1 19 19 ALA HB2 H 1 1.36 . . 1 . 88 . . 19 ALA HB2 . 18378 1 106 . 1 1 19 19 ALA HB3 H 1 1.36 . . 1 . 88 . . 19 ALA HB3 . 18378 1 107 . 1 1 20 20 LYS HA H 1 3.89 . . 1 . 90 . . 20 LYS HA . 18378 1 108 . 1 1 20 20 LYS HB2 H 1 1.84 . . 2 . 91 . . 20 LYS HB2 . 18378 1 109 . 1 1 20 20 LYS HG2 H 1 1.44 . . 2 . 93 . . 20 LYS HG2 . 18378 1 110 . 1 1 20 20 LYS HD2 H 1 1.36 . . 2 . 95 . . 20 LYS HD2 . 18378 1 111 . 1 1 20 20 LYS HE2 H 1 3.03 . . 2 . 97 . . 20 LYS HE2 . 18378 1 112 . 1 1 20 20 LYS HZ1 H 1 7.74 . . 1 . 99 . . 20 LYS HZ1 . 18378 1 113 . 1 1 20 20 LYS HZ2 H 1 7.74 . . 1 . 99 . . 20 LYS HZ2 . 18378 1 114 . 1 1 20 20 LYS HZ3 H 1 7.74 . . 1 . 99 . . 20 LYS HZ2 . 18378 1 115 . 1 1 21 21 GLU H H 1 8.10 . . 1 . 100 . . 21 GLU H . 18378 1 116 . 1 1 21 21 GLU HA H 1 4.09 . . 1 . 101 . . 21 GLU HA . 18378 1 117 . 1 1 21 21 GLU HB2 H 1 2.14 . . 2 . 102 . . 21 GLU HB2 . 18378 1 118 . 1 1 21 21 GLU HB3 H 1 2.09 . . 2 . 103 . . 21 GLU HB3 . 18378 1 119 . 1 1 21 21 GLU HG2 H 1 2.43 . . 2 . 104 . . 21 GLU HG2 . 18378 1 120 . 1 1 21 21 GLU HG3 H 1 2.30 . . 2 . 105 . . 21 GLU HG3 . 18378 1 121 . 1 1 22 22 PHE H H 1 8.07 . . 1 . 106 . . 22 PHE H . 18378 1 122 . 1 1 22 22 PHE HA H 1 4.30 . . 1 . 107 . . 22 PHE HA . 18378 1 123 . 1 1 22 22 PHE HB2 H 1 3.15 . . 2 . 108 . . 22 PHE HB2 . 18378 1 124 . 1 1 22 22 PHE HB3 H 1 3.15 . . 2 . 109 . . 22 PHE HB3 . 18378 1 125 . 1 1 22 22 PHE HD1 H 1 7.01 . . 3 . 110 . . 22 PHE HD1 . 18378 1 126 . 1 1 22 22 PHE HD2 H 1 7.01 . . 3 . 111 . . 22 PHE HD2 . 18378 1 127 . 1 1 22 22 PHE HE1 H 1 7.12 . . 3 . 112 . . 22 PHE HE1 . 18378 1 128 . 1 1 22 22 PHE HE2 H 1 7.12 . . 3 . 113 . . 22 PHE HE2 . 18378 1 129 . 1 1 23 23 ILE H H 1 8.19 . . 1 . 114 . . 23 ILE H . 18378 1 130 . 1 1 23 23 ILE HA H 1 3.51 . . 1 . 115 . . 23 ILE HA . 18378 1 131 . 1 1 23 23 ILE HB H 1 1.97 . . 1 . 116 . . 23 ILE HB . 18378 1 132 . 1 1 23 23 ILE HG12 H 1 1.78 . . 2 . 117 . . 23 ILE HG12 . 18378 1 133 . 1 1 23 23 ILE HG13 H 1 1.25 . . 2 . 118 . . 23 ILE HG13 . 18378 1 134 . 1 1 23 23 ILE HG21 H 1 0.87 . . 1 . 119 . . 23 ILE HG21 . 18378 1 135 . 1 1 23 23 ILE HG22 H 1 0.87 . . 1 . 119 . . 23 ILE HG22 . 18378 1 136 . 1 1 23 23 ILE HG23 H 1 0.87 . . 1 . 119 . . 23 ILE HG23 . 18378 1 137 . 1 1 23 23 ILE HD11 H 1 0.82 . . 1 . 120 . . 23 ILE HD11 . 18378 1 138 . 1 1 23 23 ILE HD12 H 1 0.82 . . 1 . 120 . . 23 ILE HD12 . 18378 1 139 . 1 1 23 23 ILE HD13 H 1 0.82 . . 1 . 120 . . 23 ILE HD13 . 18378 1 140 . 1 1 24 24 ALA H H 1 8.03 . . 1 . 121 . . 24 ALA H . 18378 1 141 . 1 1 24 24 ALA HA H 1 3.96 . . 1 . 122 . . 24 ALA HA . 18378 1 142 . 1 1 24 24 ALA HB1 H 1 1.48 . . 1 . 123 . . 24 ALA HB1 . 18378 1 143 . 1 1 24 24 ALA HB2 H 1 1.48 . . 1 . 123 . . 24 ALA HB2 . 18378 1 144 . 1 1 24 24 ALA HB3 H 1 1.48 . . 1 . 123 . . 24 ALA HB3 . 18378 1 145 . 1 1 25 25 TRP H H 1 7.86 . . 1 . 124 . . 25 TRP H . 18378 1 146 . 1 1 25 25 TRP HA H 1 4.13 . . 1 . 125 . . 25 TRP HA . 18378 1 147 . 1 1 25 25 TRP HB2 H 1 3.50 . . 2 . 126 . . 25 TRP HB2 . 18378 1 148 . 1 1 25 25 TRP HB3 H 1 3.25 . . 2 . 127 . . 25 TRP HB3 . 18378 1 149 . 1 1 25 25 TRP HD1 H 1 7.16 . . 1 . 128 . . 25 TRP HD1 . 18378 1 150 . 1 1 25 25 TRP HE1 H 1 10.06 . . 1 . 129 . . 25 TRP HE1 . 18378 1 151 . 1 1 25 25 TRP HE3 H 1 7.22 . . 1 . 130 . . 25 TRP HE3 . 18378 1 152 . 1 1 25 25 TRP HZ2 H 1 7.36 . . 1 . 131 . . 25 TRP HZ2 . 18378 1 153 . 1 1 25 25 TRP HZ3 H 1 6.84 . . 1 . 132 . . 25 TRP HZ3 . 18378 1 154 . 1 1 25 25 TRP HH2 H 1 7.04 . . 1 . 133 . . 25 TRP HH2 . 18378 1 155 . 1 1 26 26 LEU H H 1 8.05 . . 1 . 134 . . 26 LEU H . 18378 1 156 . 1 1 26 26 LEU HA H 1 3.43 . . 1 . 135 . . 26 LEU HA . 18378 1 157 . 1 1 26 26 LEU HB2 H 1 1.64 . . 2 . 136 . . 26 LEU HB2 . 18378 1 158 . 1 1 26 26 LEU HB3 H 1 1.36 . . 2 . 137 . . 26 LEU HB3 . 18378 1 159 . 1 1 26 26 LEU HG H 1 1.44 . . 1 . 138 . . 26 LEU HG . 18378 1 160 . 1 1 26 26 LEU HD11 H 1 0.66 . . 2 . 139 . . 26 LEU HD11 . 18378 1 161 . 1 1 26 26 LEU HD12 H 1 0.66 . . 2 . 139 . . 26 LEU HD12 . 18378 1 162 . 1 1 26 26 LEU HD13 H 1 0.66 . . 2 . 139 . . 26 LEU HD13 . 18378 1 163 . 1 1 26 26 LEU HD21 H 1 0.66 . . 2 . 140 . . 26 LEU HD21 . 18378 1 164 . 1 1 26 26 LEU HD22 H 1 0.66 . . 2 . 140 . . 26 LEU HD22 . 18378 1 165 . 1 1 26 26 LEU HD23 H 1 0.66 . . 2 . 140 . . 26 LEU HD23 . 18378 1 166 . 1 1 27 27 VAL H H 1 7.86 . . 1 . 141 . . 27 VAL H . 18378 1 167 . 1 1 27 27 VAL HA H 1 3.83 . . 1 . 142 . . 27 VAL HA . 18378 1 168 . 1 1 27 27 VAL HB H 1 2.15 . . 1 . 143 . . 27 VAL HB . 18378 1 169 . 1 1 27 27 VAL HG11 H 1 0.85 . . 2 . 144 . . 27 VAL HG11 . 18378 1 170 . 1 1 27 27 VAL HG12 H 1 0.85 . . 2 . 144 . . 27 VAL HG12 . 18378 1 171 . 1 1 27 27 VAL HG13 H 1 0.85 . . 2 . 144 . . 27 VAL HG13 . 18378 1 172 . 1 1 27 27 VAL HG21 H 1 0.90 . . 2 . 145 . . 27 VAL HG21 . 18378 1 173 . 1 1 27 27 VAL HG22 H 1 0.90 . . 2 . 145 . . 27 VAL HG22 . 18378 1 174 . 1 1 27 27 VAL HG23 H 1 0.90 . . 2 . 145 . . 27 VAL HG23 . 18378 1 175 . 1 1 28 28 ARG H H 1 7.69 . . 1 . 146 . . 28 ARG H . 18378 1 176 . 1 1 28 28 ARG HA H 1 4.19 . . 1 . 147 . . 28 ARG HA . 18378 1 177 . 1 1 28 28 ARG HB2 H 1 1.85 . . 2 . 148 . . 28 ARG HB2 . 18378 1 178 . 1 1 28 28 ARG HB3 H 1 1.85 . . 2 . 149 . . 28 ARG HB3 . 18378 1 179 . 1 1 28 28 ARG HG2 H 1 1.60 . . 2 . 150 . . 28 ARG HG2 . 18378 1 180 . 1 1 28 28 ARG HG3 H 1 1.60 . . 2 . 151 . . 28 ARG HG3 . 18378 1 181 . 1 1 28 28 ARG HD2 H 1 3.07 . . 2 . 152 . . 28 ARG HD2 . 18378 1 182 . 1 1 28 28 ARG HD3 H 1 3.07 . . 2 . 153 . . 28 ARG HD3 . 18378 1 183 . 1 1 29 29 GLY H H 1 8.00 . . 1 . 154 . . 29 GLY H . 18378 1 184 . 1 1 29 29 GLY HA2 H 1 3.77 . . 2 . 155 . . 29 GLY HA2 . 18378 1 185 . 1 1 29 29 GLY HA3 H 1 3.77 . . 2 . 156 . . 29 GLY HA3 . 18378 1 186 . 1 1 30 30 ARG H H 1 7.87 . . 1 . 157 . . 30 ARG H . 18378 1 187 . 1 1 30 30 ARG HA H 1 4.06 . . 1 . 158 . . 30 ARG HA . 18378 1 188 . 1 1 30 30 ARG HB2 H 1 1.62 . . 2 . 159 . . 30 ARG HB2 . 18378 1 189 . 1 1 30 30 ARG HB3 H 1 1.76 . . 2 . 160 . . 30 ARG HB3 . 18378 1 190 . 1 1 30 30 ARG HG2 H 1 1.42 . . 2 . 161 . . 30 ARG HG2 . 18378 1 191 . 1 1 30 30 ARG HG3 H 1 1.34 . . 2 . 162 . . 30 ARG HG3 . 18378 1 192 . 1 1 30 30 ARG HD2 H 1 2.92 . . 2 . 163 . . 30 ARG HD2 . 18378 1 193 . 1 1 30 30 ARG HD3 H 1 2.92 . . 2 . 164 . . 30 ARG HD3 . 18378 1 194 . 1 1 31 31 GLY H H 1 7.82 . . 1 . 165 . . 31 GLY H . 18378 1 195 . 1 1 31 31 GLY HA2 H 1 3.72 . . 2 . 166 . . 31 GLY HA2 . 18378 1 196 . 1 1 31 31 GLY HA3 H 1 3.72 . . 2 . 167 . . 31 GLY HA3 . 18378 1 stop_ save_