################################### # 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_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 27028 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $25C _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 . _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-13C HSQC' . . . 27028 1 2 '3D 1H-13C NOESY aliphatic' . . . 27028 1 6 '2D 1H-13C HSQC' . . . 27028 1 7 '2D 1H-13C HSQC' . . . 27028 1 8 '2D 1H-13C HSQC' . . . 27028 1 9 '2D 1H-13C HSQC' . . . 27028 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 $VNMRJ . . 27028 1 2 $NMRPipe . . 27028 1 3 $SPARKY . . 27028 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.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 2 2 ALA HB1 H 1 1.502 0.01 . 1 . . . . . 2 ALA MB . 27028 1 2 . 1 1 2 2 ALA HB2 H 1 1.502 0.01 . 1 . . . . . 2 ALA MB . 27028 1 3 . 1 1 2 2 ALA HB3 H 1 1.502 0.01 . 1 . . . . . 2 ALA MB . 27028 1 4 . 1 1 2 2 ALA CB C 13 19.076 0.05 . 1 . . . . . 2 ALA CB . 27028 1 5 . 1 1 8 8 ILE HD11 H 1 0.739 0.01 . 1 . . . . . 8 ILE MD . 27028 1 6 . 1 1 8 8 ILE HD12 H 1 0.739 0.01 . 1 . . . . . 8 ILE MD . 27028 1 7 . 1 1 8 8 ILE HD13 H 1 0.739 0.01 . 1 . . . . . 8 ILE MD . 27028 1 8 . 1 1 8 8 ILE CD1 C 13 11.879 0.05 . 1 . . . . . 8 ILE CD1 . 27028 1 9 . 1 1 13 13 LEU HD11 H 1 0.794 0.01 . 1 . . . . . 13 LEU MD1 . 27028 1 10 . 1 1 13 13 LEU HD12 H 1 0.794 0.01 . 1 . . . . . 13 LEU MD1 . 27028 1 11 . 1 1 13 13 LEU HD13 H 1 0.794 0.01 . 1 . . . . . 13 LEU MD1 . 27028 1 12 . 1 1 13 13 LEU HD21 H 1 0.608 0.01 . 1 . . . . . 13 LEU MD2 . 27028 1 13 . 1 1 13 13 LEU HD22 H 1 0.608 0.01 . 1 . . . . . 13 LEU MD2 . 27028 1 14 . 1 1 13 13 LEU HD23 H 1 0.608 0.01 . 1 . . . . . 13 LEU MD2 . 27028 1 15 . 1 1 13 13 LEU CD1 C 13 25.470 0.05 . 1 . . . . . 13 LEU CD1 . 27028 1 16 . 1 1 13 13 LEU CD2 C 13 21.073 0.05 . 1 . . . . . 13 LEU CD2 . 27028 1 17 . 1 1 16 16 VAL HG11 H 1 0.893 0.01 . 1 . . . . . 16 VAL MG1 . 27028 1 18 . 1 1 16 16 VAL HG12 H 1 0.893 0.01 . 1 . . . . . 16 VAL MG1 . 27028 1 19 . 1 1 16 16 VAL HG13 H 1 0.893 0.01 . 1 . . . . . 16 VAL MG1 . 27028 1 20 . 1 1 16 16 VAL HG21 H 1 0.872 0.01 . 1 . . . . . 16 VAL MG2 . 27028 1 21 . 1 1 16 16 VAL HG22 H 1 0.872 0.01 . 1 . . . . . 16 VAL MG2 . 27028 1 22 . 1 1 16 16 VAL HG23 H 1 0.872 0.01 . 1 . . . . . 16 VAL MG2 . 27028 1 23 . 1 1 16 16 VAL CG1 C 13 23.116 0.05 . 1 . . . . . 16 VAL CG1 . 27028 1 24 . 1 1 16 16 VAL CG2 C 13 24.235 0.05 . 1 . . . . . 16 VAL CG2 . 27028 1 25 . 1 1 19 19 ILE HD11 H 1 0.836 0.01 . 1 . . . . . 19 ILE MD . 27028 1 26 . 1 1 19 19 ILE HD12 H 1 0.836 0.01 . 1 . . . . . 19 ILE MD . 27028 1 27 . 1 1 19 19 ILE HD13 H 1 0.836 0.01 . 1 . . . . . 19 ILE MD . 27028 1 28 . 1 1 19 19 ILE CD1 C 13 13.670 0.05 . 1 . . . . . 19 ILE CD1 . 27028 1 29 . 1 1 22 22 ALA HB1 H 1 1.402 0.01 . 1 . . . . . 22 ALA MB . 27028 1 30 . 1 1 22 22 ALA HB2 H 1 1.402 0.01 . 1 . . . . . 22 ALA MB . 27028 1 31 . 1 1 22 22 ALA HB3 H 1 1.402 0.01 . 1 . . . . . 22 ALA MB . 27028 1 32 . 1 1 22 22 ALA CB C 13 18.775 0.05 . 1 . . . . . 22 ALA CB . 27028 1 33 . 1 1 23 23 LEU HD11 H 1 0.023 0.01 . 1 . . . . . 23 LEU MD1 . 27028 1 34 . 1 1 23 23 LEU HD12 H 1 0.023 0.01 . 1 . . . . . 23 LEU MD1 . 27028 1 35 . 1 1 23 23 LEU HD13 H 1 0.023 0.01 . 1 . . . . . 23 LEU MD1 . 27028 1 36 . 1 1 23 23 LEU HD21 H 1 0.475 0.01 . 1 . . . . . 23 LEU MD2 . 27028 1 37 . 1 1 23 23 LEU HD22 H 1 0.475 0.01 . 1 . . . . . 23 LEU MD2 . 27028 1 38 . 1 1 23 23 LEU HD23 H 1 0.475 0.01 . 1 . . . . . 23 LEU MD2 . 27028 1 39 . 1 1 23 23 LEU CD1 C 13 25.084 0.05 . 1 . . . . . 23 LEU CD1 . 27028 1 40 . 1 1 23 23 LEU CD2 C 13 23.347 0.05 . 1 . . . . . 23 LEU CD2 . 27028 1 41 . 1 1 29 29 ILE HD11 H 1 0.938 0.01 . 1 . . . . . 29 ILE MD . 27028 1 42 . 1 1 29 29 ILE HD12 H 1 0.938 0.01 . 1 . . . . . 29 ILE MD . 27028 1 43 . 1 1 29 29 ILE HD13 H 1 0.938 0.01 . 1 . . . . . 29 ILE MD . 27028 1 44 . 1 1 29 29 ILE CD1 C 13 11.283 0.05 . 1 . . . . . 29 ILE CD1 . 27028 1 45 . 1 1 31 31 ILE HD11 H 1 0.574 0.01 . 1 . . . . . 31 ILE MD . 27028 1 46 . 1 1 31 31 ILE HD12 H 1 0.574 0.01 . 1 . . . . . 31 ILE MD . 27028 1 47 . 1 1 31 31 ILE HD13 H 1 0.574 0.01 . 1 . . . . . 31 ILE MD . 27028 1 48 . 1 1 31 31 ILE CD1 C 13 13.902 0.05 . 1 . . . . . 31 ILE CD1 . 27028 1 49 . 1 1 32 32 MET HE1 H 1 1.828 0.01 . 1 . . . . . 32 MET ME . 27028 1 50 . 1 1 32 32 MET HE2 H 1 1.828 0.01 . 1 . . . . . 32 MET ME . 27028 1 51 . 1 1 32 32 MET HE3 H 1 1.828 0.01 . 1 . . . . . 32 MET ME . 27028 1 52 . 1 1 32 32 MET CE C 13 18.031 0.05 . 1 . . . . . 32 MET CE . 27028 1 53 . 1 1 34 34 LEU HD11 H 1 0.808 0.01 . 1 . . . . . 34 LEU MD1 . 27028 1 54 . 1 1 34 34 LEU HD12 H 1 0.808 0.01 . 1 . . . . . 34 LEU MD1 . 27028 1 55 . 1 1 34 34 LEU HD13 H 1 0.808 0.01 . 1 . . . . . 34 LEU MD1 . 27028 1 56 . 1 1 34 34 LEU HD21 H 1 0.830 0.01 . 1 . . . . . 34 LEU MD2 . 27028 1 57 . 1 1 34 34 LEU HD22 H 1 0.830 0.01 . 1 . . . . . 34 LEU MD2 . 27028 1 58 . 1 1 34 34 LEU HD23 H 1 0.830 0.01 . 1 . . . . . 34 LEU MD2 . 27028 1 59 . 1 1 34 34 LEU CD1 C 13 26.833 0.05 . 1 . . . . . 34 LEU CD1 . 27028 1 60 . 1 1 34 34 LEU CD2 C 13 26.622 0.05 . 1 . . . . . 34 LEU CD2 . 27028 1 61 . 1 1 35 35 LEU HD11 H 1 0.617 0.01 . 1 . . . . . 35 LEU MD1 . 27028 1 62 . 1 1 35 35 LEU HD12 H 1 0.617 0.01 . 1 . . . . . 35 LEU MD1 . 27028 1 63 . 1 1 35 35 LEU HD13 H 1 0.617 0.01 . 1 . . . . . 35 LEU MD1 . 27028 1 64 . 1 1 35 35 LEU HD21 H 1 0.915 0.01 . 1 . . . . . 35 LEU MD2 . 27028 1 65 . 1 1 35 35 LEU HD22 H 1 0.915 0.01 . 1 . . . . . 35 LEU MD2 . 27028 1 66 . 1 1 35 35 LEU HD23 H 1 0.915 0.01 . 1 . . . . . 35 LEU MD2 . 27028 1 67 . 1 1 35 35 LEU CD1 C 13 26.744 0.05 . 1 . . . . . 35 LEU CD1 . 27028 1 68 . 1 1 35 35 LEU CD2 C 13 23.025 0.05 . 1 . . . . . 35 LEU CD2 . 27028 1 69 . 1 1 37 37 VAL HG11 H 1 0.967 0.01 . 1 . . . . . 37 VAL MG1 . 27028 1 70 . 1 1 37 37 VAL HG12 H 1 0.967 0.01 . 1 . . . . . 37 VAL MG1 . 27028 1 71 . 1 1 37 37 VAL HG13 H 1 0.967 0.01 . 1 . . . . . 37 VAL MG1 . 27028 1 72 . 1 1 37 37 VAL HG21 H 1 1.036 0.01 . 1 . . . . . 37 VAL MG2 . 27028 1 73 . 1 1 37 37 VAL HG22 H 1 1.036 0.01 . 1 . . . . . 37 VAL MG2 . 27028 1 74 . 1 1 37 37 VAL HG23 H 1 1.036 0.01 . 1 . . . . . 37 VAL MG2 . 27028 1 75 . 1 1 37 37 VAL CG1 C 13 21.093 0.05 . 1 . . . . . 37 VAL CG1 . 27028 1 76 . 1 1 37 37 VAL CG2 C 13 21.521 0.05 . 1 . . . . . 37 VAL CG2 . 27028 1 77 . 1 1 40 40 ALA HB1 H 1 1.375 0.01 . 1 . . . . . 40 ALA MB . 27028 1 78 . 1 1 40 40 ALA HB2 H 1 1.375 0.01 . 1 . . . . . 40 ALA MB . 27028 1 79 . 1 1 40 40 ALA HB3 H 1 1.375 0.01 . 1 . . . . . 40 ALA MB . 27028 1 80 . 1 1 40 40 ALA CB C 13 24.539 0.05 . 1 . . . . . 40 ALA CB . 27028 1 81 . 1 1 42 42 VAL HG11 H 1 0.909 0.01 . 1 . . . . . 42 VAL MG1 . 27028 1 82 . 1 1 42 42 VAL HG12 H 1 0.909 0.01 . 1 . . . . . 42 VAL MG1 . 27028 1 83 . 1 1 42 42 VAL HG13 H 1 0.909 0.01 . 1 . . . . . 42 VAL MG1 . 27028 1 84 . 1 1 42 42 VAL HG21 H 1 1.072 0.01 . 1 . . . . . 42 VAL MG2 . 27028 1 85 . 1 1 42 42 VAL HG22 H 1 1.072 0.01 . 1 . . . . . 42 VAL MG2 . 27028 1 86 . 1 1 42 42 VAL HG23 H 1 1.072 0.01 . 1 . . . . . 42 VAL MG2 . 27028 1 87 . 1 1 42 42 VAL CG1 C 13 20.857 0.05 . 1 . . . . . 42 VAL CG1 . 27028 1 88 . 1 1 42 42 VAL CG2 C 13 23.522 0.05 . 1 . . . . . 42 VAL CG2 . 27028 1 89 . 1 1 45 45 ILE HD11 H 1 0.671 0.01 . 1 . . . . . 45 ILE MD . 27028 1 90 . 1 1 45 45 ILE HD12 H 1 0.671 0.01 . 1 . . . . . 45 ILE MD . 27028 1 91 . 1 1 45 45 ILE HD13 H 1 0.671 0.01 . 1 . . . . . 45 ILE MD . 27028 1 92 . 1 1 45 45 ILE CD1 C 13 14.065 0.05 . 1 . . . . . 45 ILE CD1 . 27028 1 93 . 1 1 49 49 LEU HD11 H 1 0.587 0.01 . 1 . . . . . 49 LEU MD1 . 27028 1 94 . 1 1 49 49 LEU HD12 H 1 0.587 0.01 . 1 . . . . . 49 LEU MD1 . 27028 1 95 . 1 1 49 49 LEU HD13 H 1 0.587 0.01 . 1 . . . . . 49 LEU MD1 . 27028 1 96 . 1 1 49 49 LEU HD21 H 1 0.705 0.01 . 1 . . . . . 49 LEU MD2 . 27028 1 97 . 1 1 49 49 LEU HD22 H 1 0.705 0.01 . 1 . . . . . 49 LEU MD2 . 27028 1 98 . 1 1 49 49 LEU HD23 H 1 0.705 0.01 . 1 . . . . . 49 LEU MD2 . 27028 1 99 . 1 1 49 49 LEU CD1 C 13 27.480 0.05 . 1 . . . . . 49 LEU CD1 . 27028 1 100 . 1 1 49 49 LEU CD2 C 13 22.044 0.05 . 1 . . . . . 49 LEU CD2 . 27028 1 101 . 1 1 51 51 LEU HD11 H 1 0.617 0.01 . 1 . . . . . 51 LEU MD1 . 27028 1 102 . 1 1 51 51 LEU HD12 H 1 0.617 0.01 . 1 . . . . . 51 LEU MD1 . 27028 1 103 . 1 1 51 51 LEU HD13 H 1 0.617 0.01 . 1 . . . . . 51 LEU MD1 . 27028 1 104 . 1 1 51 51 LEU HD21 H 1 0.840 0.01 . 1 . . . . . 51 LEU MD2 . 27028 1 105 . 1 1 51 51 LEU HD22 H 1 0.840 0.01 . 1 . . . . . 51 LEU MD2 . 27028 1 106 . 1 1 51 51 LEU HD23 H 1 0.840 0.01 . 1 . . . . . 51 LEU MD2 . 27028 1 107 . 1 1 51 51 LEU CD1 C 13 25.130 0.05 . 1 . . . . . 51 LEU CD1 . 27028 1 108 . 1 1 51 51 LEU CD2 C 13 22.622 0.05 . 1 . . . . . 51 LEU CD2 . 27028 1 109 . 1 1 56 56 VAL HG11 H 1 0.817 0.01 . 1 . . . . . 56 VAL MG1 . 27028 1 110 . 1 1 56 56 VAL HG12 H 1 0.817 0.01 . 1 . . . . . 56 VAL MG1 . 27028 1 111 . 1 1 56 56 VAL HG13 H 1 0.817 0.01 . 1 . . . . . 56 VAL MG1 . 27028 1 112 . 1 1 56 56 VAL HG21 H 1 0.843 0.01 . 1 . . . . . 56 VAL MG2 . 27028 1 113 . 1 1 56 56 VAL HG22 H 1 0.843 0.01 . 1 . . . . . 56 VAL MG2 . 27028 1 114 . 1 1 56 56 VAL HG23 H 1 0.843 0.01 . 1 . . . . . 56 VAL MG2 . 27028 1 115 . 1 1 56 56 VAL CG1 C 13 22.548 0.05 . 1 . . . . . 56 VAL CG1 . 27028 1 116 . 1 1 56 56 VAL CG2 C 13 24.864 0.05 . 1 . . . . . 56 VAL CG2 . 27028 1 117 . 1 1 60 60 LEU HD11 H 1 -0.194 0.01 . 1 . . . . . 60 LEU MD1 . 27028 1 118 . 1 1 60 60 LEU HD12 H 1 -0.194 0.01 . 1 . . . . . 60 LEU MD1 . 27028 1 119 . 1 1 60 60 LEU HD13 H 1 -0.194 0.01 . 1 . . . . . 60 LEU MD1 . 27028 1 120 . 1 1 60 60 LEU HD21 H 1 0.347 0.01 . 1 . . . . . 60 LEU MD2 . 27028 1 121 . 1 1 60 60 LEU HD22 H 1 0.347 0.01 . 1 . . . . . 60 LEU MD2 . 27028 1 122 . 1 1 60 60 LEU HD23 H 1 0.347 0.01 . 1 . . . . . 60 LEU MD2 . 27028 1 123 . 1 1 60 60 LEU CD1 C 13 25.891 0.05 . 1 . . . . . 60 LEU CD1 . 27028 1 124 . 1 1 60 60 LEU CD2 C 13 22.022 0.05 . 1 . . . . . 60 LEU CD2 . 27028 1 125 . 1 1 62 62 LEU HD11 H 1 0.834 0.01 . 1 . . . . . 62 LEU MD1 . 27028 1 126 . 1 1 62 62 LEU HD12 H 1 0.834 0.01 . 1 . . . . . 62 LEU MD1 . 27028 1 127 . 1 1 62 62 LEU HD13 H 1 0.834 0.01 . 1 . . . . . 62 LEU MD1 . 27028 1 128 . 1 1 62 62 LEU HD21 H 1 0.794 0.01 . 1 . . . . . 62 LEU MD2 . 27028 1 129 . 1 1 62 62 LEU HD22 H 1 0.794 0.01 . 1 . . . . . 62 LEU MD2 . 27028 1 130 . 1 1 62 62 LEU HD23 H 1 0.794 0.01 . 1 . . . . . 62 LEU MD2 . 27028 1 131 . 1 1 62 62 LEU CD1 C 13 24.396 0.05 . 1 . . . . . 62 LEU CD1 . 27028 1 132 . 1 1 62 62 LEU CD2 C 13 23.482 0.05 . 1 . . . . . 62 LEU CD2 . 27028 1 133 . 1 1 63 63 LEU HD11 H 1 0.720 0.01 . 1 . . . . . 63 LEU MD1 . 27028 1 134 . 1 1 63 63 LEU HD12 H 1 0.720 0.01 . 1 . . . . . 63 LEU MD1 . 27028 1 135 . 1 1 63 63 LEU HD13 H 1 0.720 0.01 . 1 . . . . . 63 LEU MD1 . 27028 1 136 . 1 1 63 63 LEU HD21 H 1 0.796 0.01 . 1 . . . . . 63 LEU MD2 . 27028 1 137 . 1 1 63 63 LEU HD22 H 1 0.796 0.01 . 1 . . . . . 63 LEU MD2 . 27028 1 138 . 1 1 63 63 LEU HD23 H 1 0.796 0.01 . 1 . . . . . 63 LEU MD2 . 27028 1 139 . 1 1 63 63 LEU CD1 C 13 24.043 0.05 . 1 . . . . . 63 LEU CD1 . 27028 1 140 . 1 1 63 63 LEU CD2 C 13 22.870 0.05 . 1 . . . . . 63 LEU CD2 . 27028 1 141 . 1 1 66 66 VAL HG11 H 1 0.904 0.01 . 1 . . . . . 66 VAL MG1 . 27028 1 142 . 1 1 66 66 VAL HG12 H 1 0.904 0.01 . 1 . . . . . 66 VAL MG1 . 27028 1 143 . 1 1 66 66 VAL HG13 H 1 0.904 0.01 . 1 . . . . . 66 VAL MG1 . 27028 1 144 . 1 1 66 66 VAL HG21 H 1 0.891 0.01 . 1 . . . . . 66 VAL MG2 . 27028 1 145 . 1 1 66 66 VAL HG22 H 1 0.891 0.01 . 1 . . . . . 66 VAL MG2 . 27028 1 146 . 1 1 66 66 VAL HG23 H 1 0.891 0.01 . 1 . . . . . 66 VAL MG2 . 27028 1 147 . 1 1 66 66 VAL CG1 C 13 21.673 0.05 . 1 . . . . . 66 VAL CG1 . 27028 1 148 . 1 1 66 66 VAL CG2 C 13 19.630 0.05 . 1 . . . . . 66 VAL CG2 . 27028 1 149 . 1 1 68 68 LEU HD11 H 1 0.793 0.01 . 1 . . . . . 68 LEU MD1 . 27028 1 150 . 1 1 68 68 LEU HD12 H 1 0.793 0.01 . 1 . . . . . 68 LEU MD1 . 27028 1 151 . 1 1 68 68 LEU HD13 H 1 0.793 0.01 . 1 . . . . . 68 LEU MD1 . 27028 1 152 . 1 1 68 68 LEU HD21 H 1 0.804 0.01 . 1 . . . . . 68 LEU MD2 . 27028 1 153 . 1 1 68 68 LEU HD22 H 1 0.804 0.01 . 1 . . . . . 68 LEU MD2 . 27028 1 154 . 1 1 68 68 LEU HD23 H 1 0.804 0.01 . 1 . . . . . 68 LEU MD2 . 27028 1 155 . 1 1 68 68 LEU CD1 C 13 26.448 0.05 . 1 . . . . . 68 LEU CD1 . 27028 1 156 . 1 1 68 68 LEU CD2 C 13 23.622 0.05 . 1 . . . . . 68 LEU CD2 . 27028 1 157 . 1 1 69 69 VAL HG11 H 1 0.812 0.01 . 1 . . . . . 69 VAL MG1 . 27028 1 158 . 1 1 69 69 VAL HG12 H 1 0.812 0.01 . 1 . . . . . 69 VAL MG1 . 27028 1 159 . 1 1 69 69 VAL HG13 H 1 0.812 0.01 . 1 . . . . . 69 VAL MG1 . 27028 1 160 . 1 1 69 69 VAL HG21 H 1 0.693 0.01 . 1 . . . . . 69 VAL MG2 . 27028 1 161 . 1 1 69 69 VAL HG22 H 1 0.693 0.01 . 1 . . . . . 69 VAL MG2 . 27028 1 162 . 1 1 69 69 VAL HG23 H 1 0.693 0.01 . 1 . . . . . 69 VAL MG2 . 27028 1 163 . 1 1 69 69 VAL CG1 C 13 22.642 0.05 . 1 . . . . . 69 VAL CG1 . 27028 1 164 . 1 1 69 69 VAL CG2 C 13 19.723 0.05 . 1 . . . . . 69 VAL CG2 . 27028 1 165 . 1 1 71 71 ALA HB1 H 1 0.552 0.01 . 1 . . . . . 71 ALA MB . 27028 1 166 . 1 1 71 71 ALA HB2 H 1 0.552 0.01 . 1 . . . . . 71 ALA MB . 27028 1 167 . 1 1 71 71 ALA HB3 H 1 0.552 0.01 . 1 . . . . . 71 ALA MB . 27028 1 168 . 1 1 71 71 ALA CB C 13 22.422 0.05 . 1 . . . . . 71 ALA CB . 27028 1 169 . 1 1 78 78 MET HE1 H 1 1.826 0.01 . 1 . . . . . 78 MET ME . 27028 1 170 . 1 1 78 78 MET HE2 H 1 1.826 0.01 . 1 . . . . . 78 MET ME . 27028 1 171 . 1 1 78 78 MET HE3 H 1 1.826 0.01 . 1 . . . . . 78 MET ME . 27028 1 172 . 1 1 78 78 MET CE C 13 16.452 0.05 . 1 . . . . . 78 MET CE . 27028 1 173 . 1 1 79 79 ILE HD11 H 1 0.652 0.01 . 1 . . . . . 79 ILE MD . 27028 1 174 . 1 1 79 79 ILE HD12 H 1 0.652 0.01 . 1 . . . . . 79 ILE MD . 27028 1 175 . 1 1 79 79 ILE HD13 H 1 0.652 0.01 . 1 . . . . . 79 ILE MD . 27028 1 176 . 1 1 79 79 ILE CD1 C 13 10.479 0.05 . 1 . . . . . 79 ILE CD1 . 27028 1 177 . 1 1 82 82 LEU HD11 H 1 0.766 0.01 . 1 . . . . . 82 LEU MD1 . 27028 1 178 . 1 1 82 82 LEU HD12 H 1 0.766 0.01 . 1 . . . . . 82 LEU MD1 . 27028 1 179 . 1 1 82 82 LEU HD13 H 1 0.766 0.01 . 1 . . . . . 82 LEU MD1 . 27028 1 180 . 1 1 82 82 LEU HD21 H 1 0.898 0.01 . 1 . . . . . 82 LEU MD2 . 27028 1 181 . 1 1 82 82 LEU HD22 H 1 0.898 0.01 . 1 . . . . . 82 LEU MD2 . 27028 1 182 . 1 1 82 82 LEU HD23 H 1 0.898 0.01 . 1 . . . . . 82 LEU MD2 . 27028 1 183 . 1 1 82 82 LEU CD1 C 13 25.484 0.05 . 1 . . . . . 82 LEU CD1 . 27028 1 184 . 1 1 82 82 LEU CD2 C 13 23.141 0.05 . 1 . . . . . 82 LEU CD2 . 27028 1 185 . 1 1 85 85 ILE HD11 H 1 0.844 0.01 . 1 . . . . . 85 ILE MD . 27028 1 186 . 1 1 85 85 ILE HD12 H 1 0.844 0.01 . 1 . . . . . 85 ILE MD . 27028 1 187 . 1 1 85 85 ILE HD13 H 1 0.844 0.01 . 1 . . . . . 85 ILE MD . 27028 1 188 . 1 1 85 85 ILE CD1 C 13 13.345 0.05 . 1 . . . . . 85 ILE CD1 . 27028 1 189 . 1 1 87 87 VAL HG11 H 1 1.159 0.01 . 1 . . . . . 87 VAL MG1 . 27028 1 190 . 1 1 87 87 VAL HG12 H 1 1.159 0.01 . 1 . . . . . 87 VAL MG1 . 27028 1 191 . 1 1 87 87 VAL HG13 H 1 1.159 0.01 . 1 . . . . . 87 VAL MG1 . 27028 1 192 . 1 1 87 87 VAL HG21 H 1 0.743 0.01 . 1 . . . . . 87 VAL MG2 . 27028 1 193 . 1 1 87 87 VAL HG22 H 1 0.743 0.01 . 1 . . . . . 87 VAL MG2 . 27028 1 194 . 1 1 87 87 VAL HG23 H 1 0.743 0.01 . 1 . . . . . 87 VAL MG2 . 27028 1 195 . 1 1 87 87 VAL CG1 C 13 22.212 0.05 . 1 . . . . . 87 VAL CG1 . 27028 1 196 . 1 1 87 87 VAL CG2 C 13 21.477 0.05 . 1 . . . . . 87 VAL CG2 . 27028 1 197 . 1 1 88 88 ALA HB1 H 1 1.479 0.01 . 1 . . . . . 88 ALA MB . 27028 1 198 . 1 1 88 88 ALA HB2 H 1 1.479 0.01 . 1 . . . . . 88 ALA MB . 27028 1 199 . 1 1 88 88 ALA HB3 H 1 1.479 0.01 . 1 . . . . . 88 ALA MB . 27028 1 200 . 1 1 88 88 ALA CB C 13 18.259 0.05 . 1 . . . . . 88 ALA CB . 27028 1 201 . 1 1 90 90 MET HE1 H 1 1.717 0.01 . 1 . . . . . 90 MET ME . 27028 1 202 . 1 1 90 90 MET HE2 H 1 1.717 0.01 . 1 . . . . . 90 MET ME . 27028 1 203 . 1 1 90 90 MET HE3 H 1 1.717 0.01 . 1 . . . . . 90 MET ME . 27028 1 204 . 1 1 90 90 MET CE C 13 16.357 0.05 . 1 . . . . . 90 MET CE . 27028 1 205 . 1 1 91 91 LEU HD11 H 1 0.941 0.01 . 1 . . . . . 91 LEU MD1 . 27028 1 206 . 1 1 91 91 LEU HD12 H 1 0.941 0.01 . 1 . . . . . 91 LEU MD1 . 27028 1 207 . 1 1 91 91 LEU HD13 H 1 0.941 0.01 . 1 . . . . . 91 LEU MD1 . 27028 1 208 . 1 1 91 91 LEU HD21 H 1 0.833 0.01 . 1 . . . . . 91 LEU MD2 . 27028 1 209 . 1 1 91 91 LEU HD22 H 1 0.833 0.01 . 1 . . . . . 91 LEU MD2 . 27028 1 210 . 1 1 91 91 LEU HD23 H 1 0.833 0.01 . 1 . . . . . 91 LEU MD2 . 27028 1 211 . 1 1 91 91 LEU CD1 C 13 23.951 0.05 . 1 . . . . . 91 LEU CD1 . 27028 1 212 . 1 1 91 91 LEU CD2 C 13 24.899 0.05 . 1 . . . . . 91 LEU CD2 . 27028 1 213 . 1 1 94 94 ALA HB1 H 1 1.484 0.01 . 1 . . . . . 94 ALA MB . 27028 1 214 . 1 1 94 94 ALA HB2 H 1 1.484 0.01 . 1 . . . . . 94 ALA MB . 27028 1 215 . 1 1 94 94 ALA HB3 H 1 1.484 0.01 . 1 . . . . . 94 ALA MB . 27028 1 216 . 1 1 94 94 ALA CB C 13 19.566 0.05 . 1 . . . . . 94 ALA CB . 27028 1 217 . 1 1 95 95 ILE HD11 H 1 0.741 0.01 . 1 . . . . . 95 ILE MD . 27028 1 218 . 1 1 95 95 ILE HD12 H 1 0.741 0.01 . 1 . . . . . 95 ILE MD . 27028 1 219 . 1 1 95 95 ILE HD13 H 1 0.741 0.01 . 1 . . . . . 95 ILE MD . 27028 1 220 . 1 1 95 95 ILE CD1 C 13 13.262 0.05 . 1 . . . . . 95 ILE CD1 . 27028 1 221 . 1 1 98 98 ALA HB1 H 1 1.374 0.01 . 1 . . . . . 98 ALA MB . 27028 1 222 . 1 1 98 98 ALA HB2 H 1 1.374 0.01 . 1 . . . . . 98 ALA MB . 27028 1 223 . 1 1 98 98 ALA HB3 H 1 1.374 0.01 . 1 . . . . . 98 ALA MB . 27028 1 224 . 1 1 98 98 ALA CB C 13 19.515 0.05 . 1 . . . . . 98 ALA CB . 27028 1 225 . 1 1 106 106 LEU HD11 H 1 0.874 0.01 . 1 . . . . . 106 LEU MD1 . 27028 1 226 . 1 1 106 106 LEU HD12 H 1 0.874 0.01 . 1 . . . . . 106 LEU MD1 . 27028 1 227 . 1 1 106 106 LEU HD13 H 1 0.874 0.01 . 1 . . . . . 106 LEU MD1 . 27028 1 228 . 1 1 106 106 LEU HD21 H 1 0.835 0.01 . 1 . . . . . 106 LEU MD2 . 27028 1 229 . 1 1 106 106 LEU HD22 H 1 0.835 0.01 . 1 . . . . . 106 LEU MD2 . 27028 1 230 . 1 1 106 106 LEU HD23 H 1 0.835 0.01 . 1 . . . . . 106 LEU MD2 . 27028 1 231 . 1 1 106 106 LEU CD1 C 13 25.048 0.05 . 1 . . . . . 106 LEU CD1 . 27028 1 232 . 1 1 106 106 LEU CD2 C 13 23.141 0.05 . 1 . . . . . 106 LEU CD2 . 27028 1 stop_ save_