################################### # 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 27957 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _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 . _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 13C,1H methyl-TROSY HMQC' . . . 27957 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 2 2 MET HE1 H 1 2.181 0.0014 . 1 . . . . . 2 Met HE1 . 27957 1 2 . 1 . 1 2 2 MET HE2 H 1 2.181 0.0014 . 1 . . . . . 2 Met HE2 . 27957 1 3 . 1 . 1 2 2 MET HE3 H 1 2.181 0.0014 . 1 . . . . . 2 Met HE3 . 27957 1 4 . 1 . 1 2 2 MET CE C 13 17.877 0.0173 . 1 . . . . . 2 Met CE . 27957 1 5 . 1 . 1 5 5 MET HE1 H 1 1.548 0.0014 . 1 . . . . . 5 Met HE1 . 27957 1 6 . 1 . 1 5 5 MET HE2 H 1 1.548 0.0014 . 1 . . . . . 5 Met HE2 . 27957 1 7 . 1 . 1 5 5 MET HE3 H 1 1.548 0.0014 . 1 . . . . . 5 Met HE3 . 27957 1 8 . 1 . 1 5 5 MET CE C 13 17.967 0.0173 . 1 . . . . . 5 Met CE . 27957 1 9 . 1 . 1 7 7 LEU HD11 H 1 0.595 0.0014 . 1 . . . . . 7 Leu HD11 . 27957 1 10 . 1 . 1 7 7 LEU HD12 H 1 0.595 0.0014 . 1 . . . . . 7 Leu HD12 . 27957 1 11 . 1 . 1 7 7 LEU HD13 H 1 0.595 0.0014 . 1 . . . . . 7 Leu HD13 . 27957 1 12 . 1 . 1 7 7 LEU HD21 H 1 0.681 0.0014 . 1 . . . . . 7 Leu HD21 . 27957 1 13 . 1 . 1 7 7 LEU HD22 H 1 0.681 0.0014 . 1 . . . . . 7 Leu HD22 . 27957 1 14 . 1 . 1 7 7 LEU HD23 H 1 0.681 0.0014 . 1 . . . . . 7 Leu HD23 . 27957 1 15 . 1 . 1 7 7 LEU CD1 C 13 25.170 0.0173 . 1 . . . . . 7 Leu CD1 . 27957 1 16 . 1 . 1 7 7 LEU CD2 C 13 23.130 0.0173 . 1 . . . . . 7 Leu CD2 . 27957 1 17 . 1 . 1 10 10 VAL HG11 H 1 0.883 0.0014 . 1 . . . . . 10 Val HG11 . 27957 1 18 . 1 . 1 10 10 VAL HG12 H 1 0.883 0.0014 . 1 . . . . . 10 Val HG12 . 27957 1 19 . 1 . 1 10 10 VAL HG13 H 1 0.883 0.0014 . 1 . . . . . 10 Val HG13 . 27957 1 20 . 1 . 1 10 10 VAL HG21 H 1 0.945 0.0014 . 1 . . . . . 10 Val HG21 . 27957 1 21 . 1 . 1 10 10 VAL HG22 H 1 0.945 0.0014 . 1 . . . . . 10 Val HG22 . 27957 1 22 . 1 . 1 10 10 VAL HG23 H 1 0.945 0.0014 . 1 . . . . . 10 Val HG23 . 27957 1 23 . 1 . 1 10 10 VAL CG1 C 13 19.940 0.0173 . 1 . . . . . 10 Val CG1 . 27957 1 24 . 1 . 1 10 10 VAL CG2 C 13 21.058 0.0173 . 1 . . . . . 10 Val CG2 . 27957 1 25 . 1 . 1 12 12 VAL HG11 H 1 0.889 0.0014 . 1 . . . . . 12 Val HG11 . 27957 1 26 . 1 . 1 12 12 VAL HG12 H 1 0.889 0.0014 . 1 . . . . . 12 Val HG12 . 27957 1 27 . 1 . 1 12 12 VAL HG13 H 1 0.889 0.0014 . 1 . . . . . 12 Val HG13 . 27957 1 28 . 1 . 1 12 12 VAL HG21 H 1 0.715 0.0014 . 1 . . . . . 12 Val HG21 . 27957 1 29 . 1 . 1 12 12 VAL HG22 H 1 0.715 0.0014 . 1 . . . . . 12 Val HG22 . 27957 1 30 . 1 . 1 12 12 VAL HG23 H 1 0.715 0.0014 . 1 . . . . . 12 Val HG23 . 27957 1 31 . 1 . 1 12 12 VAL CG1 C 13 22.747 0.0173 . 1 . . . . . 12 Val CG1 . 27957 1 32 . 1 . 1 12 12 VAL CG2 C 13 21.659 0.0173 . 1 . . . . . 12 Val CG2 . 27957 1 33 . 1 . 1 23 23 VAL HG11 H 1 0.273 0.0014 . 1 . . . . . 23 Val HG11 . 27957 1 34 . 1 . 1 23 23 VAL HG12 H 1 0.273 0.0014 . 1 . . . . . 23 Val HG12 . 27957 1 35 . 1 . 1 23 23 VAL HG13 H 1 0.273 0.0014 . 1 . . . . . 23 Val HG13 . 27957 1 36 . 1 . 1 23 23 VAL HG21 H 1 0.677 0.0014 . 1 . . . . . 23 Val HG21 . 27957 1 37 . 1 . 1 23 23 VAL HG22 H 1 0.677 0.0014 . 1 . . . . . 23 Val HG22 . 27957 1 38 . 1 . 1 23 23 VAL HG23 H 1 0.677 0.0014 . 1 . . . . . 23 Val HG23 . 27957 1 39 . 1 . 1 23 23 VAL CG1 C 13 21.982 0.0173 . 1 . . . . . 23 Val CG1 . 27957 1 40 . 1 . 1 23 23 VAL CG2 C 13 21.929 0.0173 . 1 . . . . . 23 Val CG2 . 27957 1 41 . 1 . 1 29 29 ILE HD11 H 1 0.933 0.0014 . 1 . . . . . 29 Ile HD11 . 27957 1 42 . 1 . 1 29 29 ILE HD12 H 1 0.933 0.0014 . 1 . . . . . 29 Ile HD12 . 27957 1 43 . 1 . 1 29 29 ILE HD13 H 1 0.933 0.0014 . 1 . . . . . 29 Ile HD13 . 27957 1 44 . 1 . 1 29 29 ILE CD1 C 13 14.371 0.0173 . 1 . . . . . 29 Ile CD1 . 27957 1 45 . 1 . 1 31 31 LEU HD11 H 1 0.836 0.0014 . 1 . . . . . 31 Leu HD11 . 27957 1 46 . 1 . 1 31 31 LEU HD12 H 1 0.836 0.0014 . 1 . . . . . 31 Leu HD12 . 27957 1 47 . 1 . 1 31 31 LEU HD13 H 1 0.836 0.0014 . 1 . . . . . 31 Leu HD13 . 27957 1 48 . 1 . 1 31 31 LEU HD21 H 1 0.741 0.0014 . 1 . . . . . 31 Leu HD21 . 27957 1 49 . 1 . 1 31 31 LEU HD22 H 1 0.741 0.0014 . 1 . . . . . 31 Leu HD22 . 27957 1 50 . 1 . 1 31 31 LEU HD23 H 1 0.741 0.0014 . 1 . . . . . 31 Leu HD23 . 27957 1 51 . 1 . 1 31 31 LEU CD1 C 13 23.900 0.0173 . 1 . . . . . 31 Leu CD1 . 27957 1 52 . 1 . 1 31 31 LEU CD2 C 13 27.201 0.0173 . 1 . . . . . 31 Leu CD2 . 27957 1 53 . 1 . 1 32 32 ILE HD11 H 1 0.887 0.0014 . 1 . . . . . 32 Ile HD11 . 27957 1 54 . 1 . 1 32 32 ILE HD12 H 1 0.887 0.0014 . 1 . . . . . 32 Ile HD12 . 27957 1 55 . 1 . 1 32 32 ILE HD13 H 1 0.887 0.0014 . 1 . . . . . 32 Ile HD13 . 27957 1 56 . 1 . 1 32 32 ILE CD1 C 13 12.967 0.0173 . 1 . . . . . 32 Ile CD1 . 27957 1 57 . 1 . 1 33 33 ILE HD11 H 1 0.773 0.0014 . 1 . . . . . 33 Ile HD11 . 27957 1 58 . 1 . 1 33 33 ILE HD12 H 1 0.773 0.0014 . 1 . . . . . 33 Ile HD12 . 27957 1 59 . 1 . 1 33 33 ILE HD13 H 1 0.773 0.0014 . 1 . . . . . 33 Ile HD13 . 27957 1 60 . 1 . 1 33 33 ILE CD1 C 13 14.013 0.0173 . 1 . . . . . 33 Ile CD1 . 27957 1 61 . 1 . 1 43 43 LEU HD11 H 1 0.852 0.0014 . 1 . . . . . 43 Leu HD11 . 27957 1 62 . 1 . 1 43 43 LEU HD12 H 1 0.852 0.0014 . 1 . . . . . 43 Leu HD12 . 27957 1 63 . 1 . 1 43 43 LEU HD13 H 1 0.852 0.0014 . 1 . . . . . 43 Leu HD13 . 27957 1 64 . 1 . 1 43 43 LEU HD21 H 1 0.687 0.0014 . 1 . . . . . 43 Leu HD21 . 27957 1 65 . 1 . 1 43 43 LEU HD22 H 1 0.687 0.0014 . 1 . . . . . 43 Leu HD22 . 27957 1 66 . 1 . 1 43 43 LEU HD23 H 1 0.687 0.0014 . 1 . . . . . 43 Leu HD23 . 27957 1 67 . 1 . 1 43 43 LEU CD1 C 13 25.446 0.0173 . 1 . . . . . 43 Leu CD1 . 27957 1 68 . 1 . 1 43 43 LEU CD2 C 13 23.534 0.0173 . 1 . . . . . 43 Leu CD2 . 27957 1 69 . 1 . 1 44 44 LEU HD11 H 1 0.711 0.0014 . 1 . . . . . 44 Leu HD11 . 27957 1 70 . 1 . 1 44 44 LEU HD12 H 1 0.711 0.0014 . 1 . . . . . 44 Leu HD12 . 27957 1 71 . 1 . 1 44 44 LEU HD13 H 1 0.711 0.0014 . 1 . . . . . 44 Leu HD13 . 27957 1 72 . 1 . 1 44 44 LEU HD21 H 1 0.988 0.0014 . 1 . . . . . 44 Leu HD21 . 27957 1 73 . 1 . 1 44 44 LEU HD22 H 1 0.988 0.0014 . 1 . . . . . 44 Leu HD22 . 27957 1 74 . 1 . 1 44 44 LEU HD23 H 1 0.988 0.0014 . 1 . . . . . 44 Leu HD23 . 27957 1 75 . 1 . 1 44 44 LEU CD1 C 13 21.804 0.0173 . 1 . . . . . 44 Leu CD1 . 27957 1 76 . 1 . 1 44 44 LEU CD2 C 13 22.811 0.0173 . 1 . . . . . 44 Leu CD2 . 27957 1 77 . 1 . 1 47 47 ILE HD11 H 1 0.794 0.0014 . 1 . . . . . 47 Ile HD11 . 27957 1 78 . 1 . 1 47 47 ILE HD12 H 1 0.794 0.0014 . 1 . . . . . 47 Ile HD12 . 27957 1 79 . 1 . 1 47 47 ILE HD13 H 1 0.794 0.0014 . 1 . . . . . 47 Ile HD13 . 27957 1 80 . 1 . 1 47 47 ILE CD1 C 13 13.237 0.0173 . 1 . . . . . 47 Ile CD1 . 27957 1 81 . 1 . 1 48 48 LEU HD11 H 1 0.807 0.0014 . 1 . . . . . 48 Leu HD11 . 27957 1 82 . 1 . 1 48 48 LEU HD12 H 1 0.807 0.0014 . 1 . . . . . 48 Leu HD12 . 27957 1 83 . 1 . 1 48 48 LEU HD13 H 1 0.807 0.0014 . 1 . . . . . 48 Leu HD13 . 27957 1 84 . 1 . 1 48 48 LEU HD21 H 1 0.745 0.0014 . 1 . . . . . 48 Leu HD21 . 27957 1 85 . 1 . 1 48 48 LEU HD22 H 1 0.745 0.0014 . 1 . . . . . 48 Leu HD22 . 27957 1 86 . 1 . 1 48 48 LEU HD23 H 1 0.745 0.0014 . 1 . . . . . 48 Leu HD23 . 27957 1 87 . 1 . 1 48 48 LEU CD1 C 13 23.457 0.0173 . 1 . . . . . 48 Leu CD1 . 27957 1 88 . 1 . 1 48 48 LEU CD2 C 13 24.865 0.0173 . 1 . . . . . 48 Leu CD2 . 27957 1 89 . 1 . 1 49 49 VAL HG11 H 1 0.636 0.0014 . 1 . . . . . 49 Val HG11 . 27957 1 90 . 1 . 1 49 49 VAL HG12 H 1 0.636 0.0014 . 1 . . . . . 49 Val HG12 . 27957 1 91 . 1 . 1 49 49 VAL HG13 H 1 0.636 0.0014 . 1 . . . . . 49 Val HG13 . 27957 1 92 . 1 . 1 49 49 VAL HG21 H 1 1.049 0.0014 . 1 . . . . . 49 Val HG21 . 27957 1 93 . 1 . 1 49 49 VAL HG22 H 1 1.049 0.0014 . 1 . . . . . 49 Val HG22 . 27957 1 94 . 1 . 1 49 49 VAL HG23 H 1 1.049 0.0014 . 1 . . . . . 49 Val HG23 . 27957 1 95 . 1 . 1 49 49 VAL CG1 C 13 21.482 0.0173 . 1 . . . . . 49 Val CG1 . 27957 1 96 . 1 . 1 49 49 VAL CG2 C 13 23.281 0.0173 . 1 . . . . . 49 Val CG2 . 27957 1 97 . 1 . 1 51 51 LEU HD11 H 1 -0.168 0.0014 . 1 . . . . . 51 Leu HD11 . 27957 1 98 . 1 . 1 51 51 LEU HD12 H 1 -0.168 0.0014 . 1 . . . . . 51 Leu HD12 . 27957 1 99 . 1 . 1 51 51 LEU HD13 H 1 -0.168 0.0014 . 1 . . . . . 51 Leu HD13 . 27957 1 100 . 1 . 1 51 51 LEU HD21 H 1 -0.119 0.0014 . 1 . . . . . 51 Leu HD21 . 27957 1 101 . 1 . 1 51 51 LEU HD22 H 1 -0.119 0.0014 . 1 . . . . . 51 Leu HD22 . 27957 1 102 . 1 . 1 51 51 LEU HD23 H 1 -0.119 0.0014 . 1 . . . . . 51 Leu HD23 . 27957 1 103 . 1 . 1 51 51 LEU CD1 C 13 25.977 0.0173 . 1 . . . . . 51 Leu CD1 . 27957 1 104 . 1 . 1 51 51 LEU CD2 C 13 22.601 0.0173 . 1 . . . . . 51 Leu CD2 . 27957 1 105 . 1 . 1 55 55 LEU HD11 H 1 0.595 0.0014 . 1 . . . . . 55 Leu HD11 . 27957 1 106 . 1 . 1 55 55 LEU HD12 H 1 0.595 0.0014 . 1 . . . . . 55 Leu HD12 . 27957 1 107 . 1 . 1 55 55 LEU HD13 H 1 0.595 0.0014 . 1 . . . . . 55 Leu HD13 . 27957 1 108 . 1 . 1 55 55 LEU HD21 H 1 0.609 0.0014 . 1 . . . . . 55 Leu HD21 . 27957 1 109 . 1 . 1 55 55 LEU HD22 H 1 0.609 0.0014 . 1 . . . . . 55 Leu HD22 . 27957 1 110 . 1 . 1 55 55 LEU HD23 H 1 0.609 0.0014 . 1 . . . . . 55 Leu HD23 . 27957 1 111 . 1 . 1 55 55 LEU CD1 C 13 23.041 0.0173 . 1 . . . . . 55 Leu CD1 . 27957 1 112 . 1 . 1 55 55 LEU CD2 C 13 25.024 0.0173 . 1 . . . . . 55 Leu CD2 . 27957 1 113 . 1 . 1 57 57 ILE HD11 H 1 0.854 0.0014 . 1 . . . . . 57 Ile HD11 . 27957 1 114 . 1 . 1 57 57 ILE HD12 H 1 0.854 0.0014 . 1 . . . . . 57 Ile HD12 . 27957 1 115 . 1 . 1 57 57 ILE HD13 H 1 0.854 0.0014 . 1 . . . . . 57 Ile HD13 . 27957 1 116 . 1 . 1 57 57 ILE CD1 C 13 13.234 0.0173 . 1 . . . . . 57 Ile CD1 . 27957 1 117 . 1 . 1 60 60 ILE HD11 H 1 0.918 0.0014 . 1 . . . . . 60 Ile HD11 . 27957 1 118 . 1 . 1 60 60 ILE HD12 H 1 0.918 0.0014 . 1 . . . . . 60 Ile HD12 . 27957 1 119 . 1 . 1 60 60 ILE HD13 H 1 0.918 0.0014 . 1 . . . . . 60 Ile HD13 . 27957 1 120 . 1 . 1 60 60 ILE CD1 C 13 13.173 0.0173 . 1 . . . . . 60 Ile CD1 . 27957 1 121 . 1 . 1 75 75 ILE HD11 H 1 0.568 0.0014 . 1 . . . . . 75 Ile HD11 . 27957 1 122 . 1 . 1 75 75 ILE HD12 H 1 0.568 0.0014 . 1 . . . . . 75 Ile HD12 . 27957 1 123 . 1 . 1 75 75 ILE HD13 H 1 0.568 0.0014 . 1 . . . . . 75 Ile HD13 . 27957 1 124 . 1 . 1 75 75 ILE CD1 C 13 13.928 0.0173 . 1 . . . . . 75 Ile CD1 . 27957 1 125 . 1 . 1 77 77 LEU HD11 H 1 0.934 0.0014 . 1 . . . . . 77 Leu HD11 . 27957 1 126 . 1 . 1 77 77 LEU HD12 H 1 0.934 0.0014 . 1 . . . . . 77 Leu HD12 . 27957 1 127 . 1 . 1 77 77 LEU HD13 H 1 0.934 0.0014 . 1 . . . . . 77 Leu HD13 . 27957 1 128 . 1 . 1 77 77 LEU HD21 H 1 0.827 0.0014 . 1 . . . . . 77 Leu HD21 . 27957 1 129 . 1 . 1 77 77 LEU HD22 H 1 0.827 0.0014 . 1 . . . . . 77 Leu HD22 . 27957 1 130 . 1 . 1 77 77 LEU HD23 H 1 0.827 0.0014 . 1 . . . . . 77 Leu HD23 . 27957 1 131 . 1 . 1 77 77 LEU CD1 C 13 25.863 0.0173 . 1 . . . . . 77 Leu CD1 . 27957 1 132 . 1 . 1 77 77 LEU CD2 C 13 27.054 0.0173 . 1 . . . . . 77 Leu CD2 . 27957 1 133 . 1 . 1 88 88 ILE HD11 H 1 1.153 0.0014 . 1 . . . . . 88 Ile HD11 . 27957 1 134 . 1 . 1 88 88 ILE HD12 H 1 1.153 0.0014 . 1 . . . . . 88 Ile HD12 . 27957 1 135 . 1 . 1 88 88 ILE HD13 H 1 1.153 0.0014 . 1 . . . . . 88 Ile HD13 . 27957 1 136 . 1 . 1 88 88 ILE CD1 C 13 15.145 0.0173 . 1 . . . . . 88 Ile CD1 . 27957 1 137 . 1 . 1 104 104 MET HE1 H 1 1.992 0.0014 . 1 . . . . . 104 Met HE1 . 27957 1 138 . 1 . 1 104 104 MET HE2 H 1 1.992 0.0014 . 1 . . . . . 104 Met HE2 . 27957 1 139 . 1 . 1 104 104 MET HE3 H 1 1.992 0.0014 . 1 . . . . . 104 Met HE3 . 27957 1 140 . 1 . 1 104 104 MET CE C 13 20.513 0.0173 . 1 . . . . . 104 Met CE . 27957 1 141 . 1 . 1 107 107 LEU HD11 H 1 -0.622 0.0014 . 1 . . . . . 107 Leu HD11 . 27957 1 142 . 1 . 1 107 107 LEU HD12 H 1 -0.622 0.0014 . 1 . . . . . 107 Leu HD12 . 27957 1 143 . 1 . 1 107 107 LEU HD13 H 1 -0.622 0.0014 . 1 . . . . . 107 Leu HD13 . 27957 1 144 . 1 . 1 107 107 LEU HD21 H 1 0.353 0.0014 . 1 . . . . . 107 Leu HD21 . 27957 1 145 . 1 . 1 107 107 LEU HD22 H 1 0.353 0.0014 . 1 . . . . . 107 Leu HD22 . 27957 1 146 . 1 . 1 107 107 LEU HD23 H 1 0.353 0.0014 . 1 . . . . . 107 Leu HD23 . 27957 1 147 . 1 . 1 107 107 LEU CD1 C 13 20.643 0.0173 . 1 . . . . . 107 Leu CD1 . 27957 1 148 . 1 . 1 107 107 LEU CD2 C 13 25.563 0.0173 . 1 . . . . . 107 Leu CD2 . 27957 1 149 . 1 . 1 115 115 VAL HG11 H 1 0.704 0.0014 . 1 . . . . . 115 Val HG11 . 27957 1 150 . 1 . 1 115 115 VAL HG12 H 1 0.704 0.0014 . 1 . . . . . 115 Val HG12 . 27957 1 151 . 1 . 1 115 115 VAL HG13 H 1 0.704 0.0014 . 1 . . . . . 115 Val HG13 . 27957 1 152 . 1 . 1 115 115 VAL HG21 H 1 0.692 0.0014 . 1 . . . . . 115 Val HG21 . 27957 1 153 . 1 . 1 115 115 VAL HG22 H 1 0.692 0.0014 . 1 . . . . . 115 Val HG22 . 27957 1 154 . 1 . 1 115 115 VAL HG23 H 1 0.692 0.0014 . 1 . . . . . 115 Val HG23 . 27957 1 155 . 1 . 1 115 115 VAL CG1 C 13 21.094 0.0173 . 1 . . . . . 115 Val CG1 . 27957 1 156 . 1 . 1 115 115 VAL CG2 C 13 21.363 0.0173 . 1 . . . . . 115 Val CG2 . 27957 1 157 . 1 . 1 123 123 ILE HD11 H 1 0.728 0.0014 . 1 . . . . . 123 Ile HD11 . 27957 1 158 . 1 . 1 123 123 ILE HD12 H 1 0.728 0.0014 . 1 . . . . . 123 Ile HD12 . 27957 1 159 . 1 . 1 123 123 ILE HD13 H 1 0.728 0.0014 . 1 . . . . . 123 Ile HD13 . 27957 1 160 . 1 . 1 123 123 ILE CD1 C 13 15.031 0.0173 . 1 . . . . . 123 Ile CD1 . 27957 1 161 . 1 . 1 127 127 MET HE1 H 1 1.589 0.0014 . 1 . . . . . 127 Met HE1 . 27957 1 162 . 1 . 1 127 127 MET HE2 H 1 1.589 0.0014 . 1 . . . . . 127 Met HE2 . 27957 1 163 . 1 . 1 127 127 MET HE3 H 1 1.589 0.0014 . 1 . . . . . 127 Met HE3 . 27957 1 164 . 1 . 1 127 127 MET CE C 13 16.443 0.0173 . 1 . . . . . 127 Met CE . 27957 1 165 . 1 . 1 130 130 LEU HD11 H 1 0.804 0.0014 . 1 . . . . . 130 Leu HD11 . 27957 1 166 . 1 . 1 130 130 LEU HD12 H 1 0.804 0.0014 . 1 . . . . . 130 Leu HD12 . 27957 1 167 . 1 . 1 130 130 LEU HD13 H 1 0.804 0.0014 . 1 . . . . . 130 Leu HD13 . 27957 1 168 . 1 . 1 130 130 LEU HD21 H 1 0.722 0.0014 . 1 . . . . . 130 Leu HD21 . 27957 1 169 . 1 . 1 130 130 LEU HD22 H 1 0.722 0.0014 . 1 . . . . . 130 Leu HD22 . 27957 1 170 . 1 . 1 130 130 LEU HD23 H 1 0.722 0.0014 . 1 . . . . . 130 Leu HD23 . 27957 1 171 . 1 . 1 130 130 LEU CD1 C 13 24.638 0.0173 . 1 . . . . . 130 Leu CD1 . 27957 1 172 . 1 . 1 130 130 LEU CD2 C 13 24.287 0.0173 . 1 . . . . . 130 Leu CD2 . 27957 1 173 . 1 . 1 131 131 ILE HD11 H 1 0.907 0.0014 . 1 . . . . . 131 Ile HD11 . 27957 1 174 . 1 . 1 131 131 ILE HD12 H 1 0.907 0.0014 . 1 . . . . . 131 Ile HD12 . 27957 1 175 . 1 . 1 131 131 ILE HD13 H 1 0.907 0.0014 . 1 . . . . . 131 Ile HD13 . 27957 1 176 . 1 . 1 131 131 ILE CD1 C 13 14.306 0.0173 . 1 . . . . . 131 Ile CD1 . 27957 1 177 . 1 . 1 135 135 ILE HD11 H 1 0.825 0.0014 . 1 . . . . . 135 Ile HD11 . 27957 1 178 . 1 . 1 135 135 ILE HD12 H 1 0.825 0.0014 . 1 . . . . . 135 Ile HD12 . 27957 1 179 . 1 . 1 135 135 ILE HD13 H 1 0.825 0.0014 . 1 . . . . . 135 Ile HD13 . 27957 1 180 . 1 . 1 135 135 ILE CD1 C 13 10.150 0.0173 . 1 . . . . . 135 Ile CD1 . 27957 1 181 . 1 . 1 137 137 LEU HD11 H 1 0.815 0.0014 . 1 . . . . . 137 Leu HD11 . 27957 1 182 . 1 . 1 137 137 LEU HD12 H 1 0.815 0.0014 . 1 . . . . . 137 Leu HD12 . 27957 1 183 . 1 . 1 137 137 LEU HD13 H 1 0.815 0.0014 . 1 . . . . . 137 Leu HD13 . 27957 1 184 . 1 . 1 137 137 LEU HD21 H 1 0.683 0.0014 . 1 . . . . . 137 Leu HD21 . 27957 1 185 . 1 . 1 137 137 LEU HD22 H 1 0.683 0.0014 . 1 . . . . . 137 Leu HD22 . 27957 1 186 . 1 . 1 137 137 LEU HD23 H 1 0.683 0.0014 . 1 . . . . . 137 Leu HD23 . 27957 1 187 . 1 . 1 137 137 LEU CD1 C 13 24.114 0.0173 . 1 . . . . . 137 Leu CD1 . 27957 1 188 . 1 . 1 137 137 LEU CD2 C 13 24.245 0.0173 . 1 . . . . . 137 Leu CD2 . 27957 1 189 . 1 . 1 140 140 ILE HD11 H 1 0.777 0.0014 . 1 . . . . . 140 Ile HD11 . 27957 1 190 . 1 . 1 140 140 ILE HD12 H 1 0.777 0.0014 . 1 . . . . . 140 Ile HD12 . 27957 1 191 . 1 . 1 140 140 ILE HD13 H 1 0.777 0.0014 . 1 . . . . . 140 Ile HD13 . 27957 1 192 . 1 . 1 140 140 ILE CD1 C 13 13.538 0.0173 . 1 . . . . . 140 Ile CD1 . 27957 1 193 . 1 . 1 142 142 ILE HD11 H 1 0.675 0.0014 . 1 . . . . . 142 Ile HD11 . 27957 1 194 . 1 . 1 142 142 ILE HD12 H 1 0.675 0.0014 . 1 . . . . . 142 Ile HD12 . 27957 1 195 . 1 . 1 142 142 ILE HD13 H 1 0.675 0.0014 . 1 . . . . . 142 Ile HD13 . 27957 1 196 . 1 . 1 142 142 ILE CD1 C 13 11.802 0.0173 . 1 . . . . . 142 Ile CD1 . 27957 1 197 . 1 . 1 147 147 ILE HD11 H 1 0.851 0.0014 . 1 . . . . . 147 Ile HD11 . 27957 1 198 . 1 . 1 147 147 ILE HD12 H 1 0.851 0.0014 . 1 . . . . . 147 Ile HD12 . 27957 1 199 . 1 . 1 147 147 ILE HD13 H 1 0.851 0.0014 . 1 . . . . . 147 Ile HD13 . 27957 1 200 . 1 . 1 147 147 ILE CD1 C 13 12.403 0.0173 . 1 . . . . . 147 Ile CD1 . 27957 1 201 . 1 . 1 150 150 ILE HD11 H 1 1.061 0.0014 . 1 . . . . . 150 Ile HD11 . 27957 1 202 . 1 . 1 150 150 ILE HD12 H 1 1.061 0.0014 . 1 . . . . . 150 Ile HD12 . 27957 1 203 . 1 . 1 150 150 ILE HD13 H 1 1.061 0.0014 . 1 . . . . . 150 Ile HD13 . 27957 1 204 . 1 . 1 150 150 ILE CD1 C 13 15.221 0.0173 . 1 . . . . . 150 Ile CD1 . 27957 1 205 . 1 . 1 151 151 LEU HD11 H 1 0.870 0.0014 . 1 . . . . . 151 Leu HD11 . 27957 1 206 . 1 . 1 151 151 LEU HD12 H 1 0.870 0.0014 . 1 . . . . . 151 Leu HD12 . 27957 1 207 . 1 . 1 151 151 LEU HD13 H 1 0.870 0.0014 . 1 . . . . . 151 Leu HD13 . 27957 1 208 . 1 . 1 151 151 LEU HD21 H 1 0.726 0.0014 . 1 . . . . . 151 Leu HD21 . 27957 1 209 . 1 . 1 151 151 LEU HD22 H 1 0.726 0.0014 . 1 . . . . . 151 Leu HD22 . 27957 1 210 . 1 . 1 151 151 LEU HD23 H 1 0.726 0.0014 . 1 . . . . . 151 Leu HD23 . 27957 1 211 . 1 . 1 151 151 LEU CD1 C 13 25.025 0.0173 . 1 . . . . . 151 Leu CD1 . 27957 1 212 . 1 . 1 151 151 LEU CD2 C 13 22.176 0.0173 . 1 . . . . . 151 Leu CD2 . 27957 1 213 . 1 . 1 160 160 VAL HG11 H 1 1.205 0.0014 . 1 . . . . . 160 Val HG11 . 27957 1 214 . 1 . 1 160 160 VAL HG12 H 1 1.205 0.0014 . 1 . . . . . 160 Val HG12 . 27957 1 215 . 1 . 1 160 160 VAL HG13 H 1 1.205 0.0014 . 1 . . . . . 160 Val HG13 . 27957 1 216 . 1 . 1 160 160 VAL CG1 C 13 23.307 0.0173 . 1 . . . . . 160 Val CG1 . 27957 1 217 . 1 . 1 161 161 VAL CG1 C 13 23.289 0.0173 . 1 . . . . . 161 Val CG1 . 27957 1 218 . 1 . 1 164 164 VAL HG11 H 1 1.097 0.0014 . 1 . . . . . 164 Val HG11 . 27957 1 219 . 1 . 1 164 164 VAL HG12 H 1 1.097 0.0014 . 1 . . . . . 164 Val HG12 . 27957 1 220 . 1 . 1 164 164 VAL HG13 H 1 1.097 0.0014 . 1 . . . . . 164 Val HG13 . 27957 1 221 . 1 . 1 164 164 VAL HG21 H 1 1.015 0.0014 . 1 . . . . . 164 Val HG21 . 27957 1 222 . 1 . 1 164 164 VAL HG22 H 1 1.015 0.0014 . 1 . . . . . 164 Val HG22 . 27957 1 223 . 1 . 1 164 164 VAL HG23 H 1 1.015 0.0014 . 1 . . . . . 164 Val HG23 . 27957 1 224 . 1 . 1 164 164 VAL CG1 C 13 23.424 0.0173 . 1 . . . . . 164 Val CG1 . 27957 1 225 . 1 . 1 164 164 VAL CG2 C 13 23.388 0.0173 . 1 . . . . . 164 Val CG2 . 27957 1 226 . 1 . 1 165 165 LEU HD11 H 1 0.711 0.0014 . 1 . . . . . 165 Leu HD11 . 27957 1 227 . 1 . 1 165 165 LEU HD12 H 1 0.711 0.0014 . 1 . . . . . 165 Leu HD12 . 27957 1 228 . 1 . 1 165 165 LEU HD13 H 1 0.711 0.0014 . 1 . . . . . 165 Leu HD13 . 27957 1 229 . 1 . 1 165 165 LEU HD21 H 1 0.922 0.0014 . 1 . . . . . 165 Leu HD21 . 27957 1 230 . 1 . 1 165 165 LEU HD22 H 1 0.922 0.0014 . 1 . . . . . 165 Leu HD22 . 27957 1 231 . 1 . 1 165 165 LEU HD23 H 1 0.922 0.0014 . 1 . . . . . 165 Leu HD23 . 27957 1 232 . 1 . 1 165 165 LEU CD1 C 13 25.882 0.0173 . 1 . . . . . 165 Leu CD1 . 27957 1 233 . 1 . 1 165 165 LEU CD2 C 13 22.361 0.0173 . 1 . . . . . 165 Leu CD2 . 27957 1 234 . 1 . 1 167 167 LEU HD11 H 1 0.867 0.0014 . 1 . . . . . 167 Leu HD11 . 27957 1 235 . 1 . 1 167 167 LEU HD12 H 1 0.867 0.0014 . 1 . . . . . 167 Leu HD12 . 27957 1 236 . 1 . 1 167 167 LEU HD13 H 1 0.867 0.0014 . 1 . . . . . 167 Leu HD13 . 27957 1 237 . 1 . 1 167 167 LEU CD1 C 13 22.315 0.0173 . 1 . . . . . 167 Leu CD1 . 27957 1 238 . 1 . 1 180 180 LEU HD11 H 1 0.803 0.0014 . 1 . . . . . 180 Leu HD11 . 27957 1 239 . 1 . 1 180 180 LEU HD12 H 1 0.803 0.0014 . 1 . . . . . 180 Leu HD12 . 27957 1 240 . 1 . 1 180 180 LEU HD13 H 1 0.803 0.0014 . 1 . . . . . 180 Leu HD13 . 27957 1 241 . 1 . 1 180 180 LEU HD21 H 1 0.958 0.0014 . 1 . . . . . 180 Leu HD21 . 27957 1 242 . 1 . 1 180 180 LEU HD22 H 1 0.958 0.0014 . 1 . . . . . 180 Leu HD22 . 27957 1 243 . 1 . 1 180 180 LEU HD23 H 1 0.958 0.0014 . 1 . . . . . 180 Leu HD23 . 27957 1 244 . 1 . 1 180 180 LEU CD1 C 13 25.744 0.0173 . 1 . . . . . 180 Leu CD1 . 27957 1 245 . 1 . 1 180 180 LEU CD2 C 13 27.267 0.0173 . 1 . . . . . 180 Leu CD2 . 27957 1 246 . 1 . 1 184 184 ILE HD11 H 1 0.787 0.0014 . 1 . . . . . 184 Ile HD11 . 27957 1 247 . 1 . 1 184 184 ILE HD12 H 1 0.787 0.0014 . 1 . . . . . 184 Ile HD12 . 27957 1 248 . 1 . 1 184 184 ILE HD13 H 1 0.787 0.0014 . 1 . . . . . 184 Ile HD13 . 27957 1 249 . 1 . 1 184 184 ILE CD1 C 13 14.501 0.0173 . 1 . . . . . 184 Ile CD1 . 27957 1 250 . 1 . 1 194 194 ILE HD11 H 1 0.893 0.0014 . 1 . . . . . 194 Ile HD11 . 27957 1 251 . 1 . 1 194 194 ILE HD12 H 1 0.893 0.0014 . 1 . . . . . 194 Ile HD12 . 27957 1 252 . 1 . 1 194 194 ILE HD13 H 1 0.893 0.0014 . 1 . . . . . 194 Ile HD13 . 27957 1 253 . 1 . 1 194 194 ILE CD1 C 13 14.577 0.0173 . 1 . . . . . 194 Ile CD1 . 27957 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_chem_shift_list_2 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_2 _Assigned_chem_shift_list.Entry_ID 27957 _Assigned_chem_shift_list.ID 2 _Assigned_chem_shift_list.Name . _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 . _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 13C,1H methyl-TROSY HMQC' . . . 27957 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 . 2 . 2 4 4 VAL HG11 H 1 0.931 0.0014 . 1 . . . . . 4 Val HG11 . 27957 2 2 . 2 . 2 4 4 VAL HG12 H 1 0.931 0.0014 . 1 . . . . . 4 Val HG12 . 27957 2 3 . 2 . 2 4 4 VAL HG13 H 1 0.931 0.0014 . 1 . . . . . 4 Val HG13 . 27957 2 4 . 2 . 2 4 4 VAL CG1 C 13 22.352 0.0173 . 1 . . . . . 4 Val CG1 . 27957 2 5 . 2 . 2 8 8 ILE HD11 H 1 0.876 0.0014 . 1 . . . . . 8 Ile HD11 . 27957 2 6 . 2 . 2 8 8 ILE HD12 H 1 0.876 0.0014 . 1 . . . . . 8 Ile HD12 . 27957 2 7 . 2 . 2 8 8 ILE HD13 H 1 0.876 0.0014 . 1 . . . . . 8 Ile HD13 . 27957 2 8 . 2 . 2 8 8 ILE CD1 C 13 13.854 0.0173 . 1 . . . . . 8 Ile CD1 . 27957 2 9 . 2 . 2 11 11 LEU HD11 H 1 0.973 0.0014 . 1 . . . . . 11 Leu HD11 . 27957 2 10 . 2 . 2 11 11 LEU HD12 H 1 0.973 0.0014 . 1 . . . . . 11 Leu HD12 . 27957 2 11 . 2 . 2 11 11 LEU HD13 H 1 0.973 0.0014 . 1 . . . . . 11 Leu HD13 . 27957 2 12 . 2 . 2 11 11 LEU HD21 H 1 0.906 0.0014 . 1 . . . . . 11 Leu HD21 . 27957 2 13 . 2 . 2 11 11 LEU HD22 H 1 0.906 0.0014 . 1 . . . . . 11 Leu HD22 . 27957 2 14 . 2 . 2 11 11 LEU HD23 H 1 0.906 0.0014 . 1 . . . . . 11 Leu HD23 . 27957 2 15 . 2 . 2 11 11 LEU CD1 C 13 23.079 0.0173 . 1 . . . . . 11 Leu CD1 . 27957 2 16 . 2 . 2 11 11 LEU CD2 C 13 24.029 0.0173 . 1 . . . . . 11 Leu CD2 . 27957 2 17 . 2 . 2 21 21 LEU HD21 H 1 1.261 0.0014 . 1 . . . . . 21 Leu HD21 . 27957 2 18 . 2 . 2 21 21 LEU HD22 H 1 1.261 0.0014 . 1 . . . . . 21 Leu HD22 . 27957 2 19 . 2 . 2 21 21 LEU HD23 H 1 1.261 0.0014 . 1 . . . . . 21 Leu HD23 . 27957 2 20 . 2 . 2 21 21 LEU CD2 C 13 24.463 0.0173 . 1 . . . . . 21 Leu CD2 . 27957 2 21 . 2 . 2 22 22 ILE HD11 H 1 0.762 0.0014 . 1 . . . . . 22 Ile HD11 . 27957 2 22 . 2 . 2 22 22 ILE HD12 H 1 0.762 0.0014 . 1 . . . . . 22 Ile HD12 . 27957 2 23 . 2 . 2 22 22 ILE HD13 H 1 0.762 0.0014 . 1 . . . . . 22 Ile HD13 . 27957 2 24 . 2 . 2 22 22 ILE CD1 C 13 13.657 0.0173 . 1 . . . . . 22 Ile CD1 . 27957 2 25 . 2 . 2 25 25 VAL HG11 H 1 1.304 0.0014 . 1 . . . . . 25 Val HG11 . 27957 2 26 . 2 . 2 25 25 VAL HG12 H 1 1.304 0.0014 . 1 . . . . . 25 Val HG12 . 27957 2 27 . 2 . 2 25 25 VAL HG13 H 1 1.304 0.0014 . 1 . . . . . 25 Val HG13 . 27957 2 28 . 2 . 2 25 25 VAL CG1 C 13 23.435 0.0173 . 1 . . . . . 25 Val CG1 . 27957 2 29 . 2 . 2 37 37 LEU HD11 H 1 0.902 0.0014 . 1 . . . . . 37 Leu HD11 . 27957 2 30 . 2 . 2 37 37 LEU HD12 H 1 0.902 0.0014 . 1 . . . . . 37 Leu HD12 . 27957 2 31 . 2 . 2 37 37 LEU HD13 H 1 0.902 0.0014 . 1 . . . . . 37 Leu HD13 . 27957 2 32 . 2 . 2 37 37 LEU HD21 H 1 0.828 0.0014 . 1 . . . . . 37 Leu HD21 . 27957 2 33 . 2 . 2 37 37 LEU HD22 H 1 0.828 0.0014 . 1 . . . . . 37 Leu HD22 . 27957 2 34 . 2 . 2 37 37 LEU HD23 H 1 0.828 0.0014 . 1 . . . . . 37 Leu HD23 . 27957 2 35 . 2 . 2 37 37 LEU CD1 C 13 26.412 0.0173 . 1 . . . . . 37 Leu CD1 . 27957 2 36 . 2 . 2 37 37 LEU CD2 C 13 22.122 0.0173 . 1 . . . . . 37 Leu CD2 . 27957 2 37 . 2 . 2 40 40 ILE HD11 H 1 0.430 0.0014 . 1 . . . . . 40 Ile HD11 . 27957 2 38 . 2 . 2 40 40 ILE HD12 H 1 0.430 0.0014 . 1 . . . . . 40 Ile HD12 . 27957 2 39 . 2 . 2 40 40 ILE HD13 H 1 0.430 0.0014 . 1 . . . . . 40 Ile HD13 . 27957 2 40 . 2 . 2 40 40 ILE CD1 C 13 14.418 0.0173 . 1 . . . . . 40 Ile CD1 . 27957 2 41 . 2 . 2 43 43 LEU HD11 H 1 1.033 0.0014 . 1 . . . . . 43 Leu HD11 . 27957 2 42 . 2 . 2 43 43 LEU HD12 H 1 1.033 0.0014 . 1 . . . . . 43 Leu HD12 . 27957 2 43 . 2 . 2 43 43 LEU HD13 H 1 1.033 0.0014 . 1 . . . . . 43 Leu HD13 . 27957 2 44 . 2 . 2 43 43 LEU HD21 H 1 1.012 0.0014 . 1 . . . . . 43 Leu HD21 . 27957 2 45 . 2 . 2 43 43 LEU HD22 H 1 1.012 0.0014 . 1 . . . . . 43 Leu HD22 . 27957 2 46 . 2 . 2 43 43 LEU HD23 H 1 1.012 0.0014 . 1 . . . . . 43 Leu HD23 . 27957 2 47 . 2 . 2 43 43 LEU CD1 C 13 25.574 0.0173 . 1 . . . . . 43 Leu CD1 . 27957 2 48 . 2 . 2 43 43 LEU CD2 C 13 22.495 0.0173 . 1 . . . . . 43 Leu CD2 . 27957 2 49 . 2 . 2 47 47 ILE HD11 H 1 0.881 0.0014 . 1 . . . . . 47 Ile HD11 . 27957 2 50 . 2 . 2 47 47 ILE HD12 H 1 0.881 0.0014 . 1 . . . . . 47 Ile HD12 . 27957 2 51 . 2 . 2 47 47 ILE HD13 H 1 0.881 0.0014 . 1 . . . . . 47 Ile HD13 . 27957 2 52 . 2 . 2 47 47 ILE CD1 C 13 12.923 0.0173 . 1 . . . . . 47 Ile CD1 . 27957 2 53 . 2 . 2 59 59 VAL HG11 H 1 0.739 0.0014 . 1 . . . . . 59 Val HG11 . 27957 2 54 . 2 . 2 59 59 VAL HG12 H 1 0.739 0.0014 . 1 . . . . . 59 Val HG12 . 27957 2 55 . 2 . 2 59 59 VAL HG13 H 1 0.739 0.0014 . 1 . . . . . 59 Val HG13 . 27957 2 56 . 2 . 2 59 59 VAL HG21 H 1 0.774 0.0014 . 1 . . . . . 59 Val HG21 . 27957 2 57 . 2 . 2 59 59 VAL HG22 H 1 0.774 0.0014 . 1 . . . . . 59 Val HG22 . 27957 2 58 . 2 . 2 59 59 VAL HG23 H 1 0.774 0.0014 . 1 . . . . . 59 Val HG23 . 27957 2 59 . 2 . 2 59 59 VAL CG1 C 13 21.364 0.0173 . 1 . . . . . 59 Val CG1 . 27957 2 60 . 2 . 2 59 59 VAL CG2 C 13 21.680 0.0173 . 1 . . . . . 59 Val CG2 . 27957 2 61 . 2 . 2 60 60 VAL HG11 H 1 0.852 0.0014 . 1 . . . . . 60 Val HG11 . 27957 2 62 . 2 . 2 60 60 VAL HG12 H 1 0.852 0.0014 . 1 . . . . . 60 Val HG12 . 27957 2 63 . 2 . 2 60 60 VAL HG13 H 1 0.852 0.0014 . 1 . . . . . 60 Val HG13 . 27957 2 64 . 2 . 2 60 60 VAL HG21 H 1 0.794 0.0014 . 1 . . . . . 60 Val HG21 . 27957 2 65 . 2 . 2 60 60 VAL HG22 H 1 0.794 0.0014 . 1 . . . . . 60 Val HG22 . 27957 2 66 . 2 . 2 60 60 VAL HG23 H 1 0.794 0.0014 . 1 . . . . . 60 Val HG23 . 27957 2 67 . 2 . 2 60 60 VAL CG1 C 13 20.637 0.0173 . 1 . . . . . 60 Val CG1 . 27957 2 68 . 2 . 2 60 60 VAL CG2 C 13 20.720 0.0173 . 1 . . . . . 60 Val CG2 . 27957 2 69 . 2 . 2 61 61 VAL HG11 H 1 0.911 0.0014 . 1 . . . . . 61 Val HG11 . 27957 2 70 . 2 . 2 61 61 VAL HG12 H 1 0.911 0.0014 . 1 . . . . . 61 Val HG12 . 27957 2 71 . 2 . 2 61 61 VAL HG13 H 1 0.911 0.0014 . 1 . . . . . 61 Val HG13 . 27957 2 72 . 2 . 2 61 61 VAL HG21 H 1 0.908 0.0014 . 1 . . . . . 61 Val HG21 . 27957 2 73 . 2 . 2 61 61 VAL HG22 H 1 0.908 0.0014 . 1 . . . . . 61 Val HG22 . 27957 2 74 . 2 . 2 61 61 VAL HG23 H 1 0.908 0.0014 . 1 . . . . . 61 Val HG23 . 27957 2 75 . 2 . 2 61 61 VAL CG1 C 13 22.631 0.0173 . 1 . . . . . 61 Val CG1 . 27957 2 76 . 2 . 2 61 61 VAL CG2 C 13 21.383 0.0173 . 1 . . . . . 61 Val CG2 . 27957 2 77 . 2 . 2 68 68 VAL HG11 H 1 0.774 0.0014 . 1 . . . . . 68 Val HG11 . 27957 2 78 . 2 . 2 68 68 VAL HG12 H 1 0.774 0.0014 . 1 . . . . . 68 Val HG12 . 27957 2 79 . 2 . 2 68 68 VAL HG13 H 1 0.774 0.0014 . 1 . . . . . 68 Val HG13 . 27957 2 80 . 2 . 2 68 68 VAL HG21 H 1 1.018 0.0014 . 1 . . . . . 68 Val HG21 . 27957 2 81 . 2 . 2 68 68 VAL HG22 H 1 1.018 0.0014 . 1 . . . . . 68 Val HG22 . 27957 2 82 . 2 . 2 68 68 VAL HG23 H 1 1.018 0.0014 . 1 . . . . . 68 Val HG23 . 27957 2 83 . 2 . 2 68 68 VAL CG1 C 13 21.626 0.0173 . 1 . . . . . 68 Val CG1 . 27957 2 84 . 2 . 2 68 68 VAL CG2 C 13 22.084 0.0173 . 1 . . . . . 68 Val CG2 . 27957 2 85 . 2 . 2 70 70 LEU HD11 H 1 0.259 0.0014 . 1 . . . . . 70 Leu HD11 . 27957 2 86 . 2 . 2 70 70 LEU HD12 H 1 0.259 0.0014 . 1 . . . . . 70 Leu HD12 . 27957 2 87 . 2 . 2 70 70 LEU HD13 H 1 0.259 0.0014 . 1 . . . . . 70 Leu HD13 . 27957 2 88 . 2 . 2 70 70 LEU HD21 H 1 0.321 0.0014 . 1 . . . . . 70 Leu HD21 . 27957 2 89 . 2 . 2 70 70 LEU HD22 H 1 0.321 0.0014 . 1 . . . . . 70 Leu HD22 . 27957 2 90 . 2 . 2 70 70 LEU HD23 H 1 0.321 0.0014 . 1 . . . . . 70 Leu HD23 . 27957 2 91 . 2 . 2 70 70 LEU CD1 C 13 24.773 0.0173 . 1 . . . . . 70 Leu CD1 . 27957 2 92 . 2 . 2 70 70 LEU CD2 C 13 24.247 0.0173 . 1 . . . . . 70 Leu CD2 . 27957 2 93 . 2 . 2 72 72 VAL HG11 H 1 0.765 0.0014 . 1 . . . . . 72 Val HG11 . 27957 2 94 . 2 . 2 72 72 VAL HG12 H 1 0.765 0.0014 . 1 . . . . . 72 Val HG12 . 27957 2 95 . 2 . 2 72 72 VAL HG13 H 1 0.765 0.0014 . 1 . . . . . 72 Val HG13 . 27957 2 96 . 2 . 2 72 72 VAL HG21 H 1 0.772 0.0014 . 1 . . . . . 72 Val HG21 . 27957 2 97 . 2 . 2 72 72 VAL HG22 H 1 0.772 0.0014 . 1 . . . . . 72 Val HG22 . 27957 2 98 . 2 . 2 72 72 VAL HG23 H 1 0.772 0.0014 . 1 . . . . . 72 Val HG23 . 27957 2 99 . 2 . 2 72 72 VAL CG1 C 13 22.307 0.0173 . 1 . . . . . 72 Val CG1 . 27957 2 100 . 2 . 2 72 72 VAL CG2 C 13 19.993 0.0173 . 1 . . . . . 72 Val CG2 . 27957 2 101 . 2 . 2 73 73 VAL HG11 H 1 0.781 0.0014 . 1 . . . . . 73 Val HG11 . 27957 2 102 . 2 . 2 73 73 VAL HG12 H 1 0.781 0.0014 . 1 . . . . . 73 Val HG12 . 27957 2 103 . 2 . 2 73 73 VAL HG13 H 1 0.781 0.0014 . 1 . . . . . 73 Val HG13 . 27957 2 104 . 2 . 2 73 73 VAL HG21 H 1 0.794 0.0014 . 1 . . . . . 73 Val HG21 . 27957 2 105 . 2 . 2 73 73 VAL HG22 H 1 0.794 0.0014 . 1 . . . . . 73 Val HG22 . 27957 2 106 . 2 . 2 73 73 VAL HG23 H 1 0.794 0.0014 . 1 . . . . . 73 Val HG23 . 27957 2 107 . 2 . 2 73 73 VAL CG1 C 13 20.860 0.0173 . 1 . . . . . 73 Val CG1 . 27957 2 108 . 2 . 2 73 73 VAL CG2 C 13 22.167 0.0173 . 1 . . . . . 73 Val CG2 . 27957 2 109 . 2 . 2 81 81 LEU HD11 H 1 0.774 0.0014 . 1 . . . . . 81 Leu HD11 . 27957 2 110 . 2 . 2 81 81 LEU HD12 H 1 0.774 0.0014 . 1 . . . . . 81 Leu HD12 . 27957 2 111 . 2 . 2 81 81 LEU HD13 H 1 0.774 0.0014 . 1 . . . . . 81 Leu HD13 . 27957 2 112 . 2 . 2 81 81 LEU HD21 H 1 0.681 0.0014 . 1 . . . . . 81 Leu HD21 . 27957 2 113 . 2 . 2 81 81 LEU HD22 H 1 0.681 0.0014 . 1 . . . . . 81 Leu HD22 . 27957 2 114 . 2 . 2 81 81 LEU HD23 H 1 0.681 0.0014 . 1 . . . . . 81 Leu HD23 . 27957 2 115 . 2 . 2 81 81 LEU CD1 C 13 25.250 0.0173 . 1 . . . . . 81 Leu CD1 . 27957 2 116 . 2 . 2 81 81 LEU CD2 C 13 24.180 0.0173 . 1 . . . . . 81 Leu CD2 . 27957 2 117 . 2 . 2 84 84 LEU HD11 H 1 0.790 0.0014 . 1 . . . . . 84 Leu HD11 . 27957 2 118 . 2 . 2 84 84 LEU HD12 H 1 0.790 0.0014 . 1 . . . . . 84 Leu HD12 . 27957 2 119 . 2 . 2 84 84 LEU HD13 H 1 0.790 0.0014 . 1 . . . . . 84 Leu HD13 . 27957 2 120 . 2 . 2 84 84 LEU HD21 H 1 0.711 0.0014 . 1 . . . . . 84 Leu HD21 . 27957 2 121 . 2 . 2 84 84 LEU HD22 H 1 0.711 0.0014 . 1 . . . . . 84 Leu HD22 . 27957 2 122 . 2 . 2 84 84 LEU HD23 H 1 0.711 0.0014 . 1 . . . . . 84 Leu HD23 . 27957 2 123 . 2 . 2 84 84 LEU CD1 C 13 26.433 0.0173 . 1 . . . . . 84 Leu CD1 . 27957 2 124 . 2 . 2 84 84 LEU CD2 C 13 23.344 0.0173 . 1 . . . . . 84 Leu CD2 . 27957 2 125 . 2 . 2 90 90 ILE HD11 H 1 0.897 0.0014 . 1 . . . . . 90 Ile HD11 . 27957 2 126 . 2 . 2 90 90 ILE HD12 H 1 0.897 0.0014 . 1 . . . . . 90 Ile HD12 . 27957 2 127 . 2 . 2 90 90 ILE HD13 H 1 0.897 0.0014 . 1 . . . . . 90 Ile HD13 . 27957 2 128 . 2 . 2 90 90 ILE CD1 C 13 13.052 0.0173 . 1 . . . . . 90 Ile CD1 . 27957 2 129 . 2 . 2 92 92 LEU HD11 H 1 0.054 0.0014 . 1 . . . . . 92 Leu HD11 . 27957 2 130 . 2 . 2 92 92 LEU HD12 H 1 0.054 0.0014 . 1 . . . . . 92 Leu HD12 . 27957 2 131 . 2 . 2 92 92 LEU HD13 H 1 0.054 0.0014 . 1 . . . . . 92 Leu HD13 . 27957 2 132 . 2 . 2 92 92 LEU HD21 H 1 0.311 0.0014 . 1 . . . . . 92 Leu HD21 . 27957 2 133 . 2 . 2 92 92 LEU HD22 H 1 0.311 0.0014 . 1 . . . . . 92 Leu HD22 . 27957 2 134 . 2 . 2 92 92 LEU HD23 H 1 0.311 0.0014 . 1 . . . . . 92 Leu HD23 . 27957 2 135 . 2 . 2 92 92 LEU CD1 C 13 22.073 0.0173 . 1 . . . . . 92 Leu CD1 . 27957 2 136 . 2 . 2 92 92 LEU CD2 C 13 25.952 0.0173 . 1 . . . . . 92 Leu CD2 . 27957 2 137 . 2 . 2 94 94 LEU HD11 H 1 0.871 0.0014 . 1 . . . . . 94 Leu HD11 . 27957 2 138 . 2 . 2 94 94 LEU HD12 H 1 0.871 0.0014 . 1 . . . . . 94 Leu HD12 . 27957 2 139 . 2 . 2 94 94 LEU HD13 H 1 0.871 0.0014 . 1 . . . . . 94 Leu HD13 . 27957 2 140 . 2 . 2 94 94 LEU HD21 H 1 0.908 0.0014 . 1 . . . . . 94 Leu HD21 . 27957 2 141 . 2 . 2 94 94 LEU HD22 H 1 0.908 0.0014 . 1 . . . . . 94 Leu HD22 . 27957 2 142 . 2 . 2 94 94 LEU HD23 H 1 0.908 0.0014 . 1 . . . . . 94 Leu HD23 . 27957 2 143 . 2 . 2 94 94 LEU CD1 C 13 24.913 0.0173 . 1 . . . . . 94 Leu CD1 . 27957 2 144 . 2 . 2 94 94 LEU CD2 C 13 24.117 0.0173 . 1 . . . . . 94 Leu CD2 . 27957 2 145 . 2 . 2 98 98 LEU HD11 H 1 1.003 0.0014 . 1 . . . . . 98 Leu HD11 . 27957 2 146 . 2 . 2 98 98 LEU HD12 H 1 1.003 0.0014 . 1 . . . . . 98 Leu HD12 . 27957 2 147 . 2 . 2 98 98 LEU HD13 H 1 1.003 0.0014 . 1 . . . . . 98 Leu HD13 . 27957 2 148 . 2 . 2 98 98 LEU HD21 H 1 0.992 0.0014 . 1 . . . . . 98 Leu HD21 . 27957 2 149 . 2 . 2 98 98 LEU HD22 H 1 0.992 0.0014 . 1 . . . . . 98 Leu HD22 . 27957 2 150 . 2 . 2 98 98 LEU HD23 H 1 0.992 0.0014 . 1 . . . . . 98 Leu HD23 . 27957 2 151 . 2 . 2 98 98 LEU CD1 C 13 25.513 0.0173 . 1 . . . . . 98 Leu CD1 . 27957 2 152 . 2 . 2 98 98 LEU CD2 C 13 23.547 0.0173 . 1 . . . . . 98 Leu CD2 . 27957 2 153 . 2 . 2 100 100 MET HE1 H 1 1.906 0.0014 . 1 . . . . . 100 Met HE1 . 27957 2 154 . 2 . 2 100 100 MET HE2 H 1 1.906 0.0014 . 1 . . . . . 100 Met HE2 . 27957 2 155 . 2 . 2 100 100 MET HE3 H 1 1.906 0.0014 . 1 . . . . . 100 Met HE3 . 27957 2 156 . 2 . 2 100 100 MET CE C 13 18.240 0.0173 . 1 . . . . . 100 Met CE . 27957 2 157 . 2 . 2 102 102 LEU HD11 H 1 0.934 0.0014 . 1 . . . . . 102 Leu HD11 . 27957 2 158 . 2 . 2 102 102 LEU HD12 H 1 0.934 0.0014 . 1 . . . . . 102 Leu HD12 . 27957 2 159 . 2 . 2 102 102 LEU HD13 H 1 0.934 0.0014 . 1 . . . . . 102 Leu HD13 . 27957 2 160 . 2 . 2 102 102 LEU HD21 H 1 0.953 0.0014 . 1 . . . . . 102 Leu HD21 . 27957 2 161 . 2 . 2 102 102 LEU HD22 H 1 0.953 0.0014 . 1 . . . . . 102 Leu HD22 . 27957 2 162 . 2 . 2 102 102 LEU HD23 H 1 0.953 0.0014 . 1 . . . . . 102 Leu HD23 . 27957 2 163 . 2 . 2 102 102 LEU CD1 C 13 23.760 0.0173 . 1 . . . . . 102 Leu CD1 . 27957 2 164 . 2 . 2 102 102 LEU CD2 C 13 25.319 0.0173 . 1 . . . . . 102 Leu CD2 . 27957 2 165 . 2 . 2 104 104 LEU HD11 H 1 0.934 0.0014 . 1 . . . . . 104 Leu HD11 . 27957 2 166 . 2 . 2 104 104 LEU HD12 H 1 0.934 0.0014 . 1 . . . . . 104 Leu HD12 . 27957 2 167 . 2 . 2 104 104 LEU HD13 H 1 0.934 0.0014 . 1 . . . . . 104 Leu HD13 . 27957 2 168 . 2 . 2 104 104 LEU HD21 H 1 1.024 0.0014 . 1 . . . . . 104 Leu HD21 . 27957 2 169 . 2 . 2 104 104 LEU HD22 H 1 1.024 0.0014 . 1 . . . . . 104 Leu HD22 . 27957 2 170 . 2 . 2 104 104 LEU HD23 H 1 1.024 0.0014 . 1 . . . . . 104 Leu HD23 . 27957 2 171 . 2 . 2 104 104 LEU CD1 C 13 25.796 0.0173 . 1 . . . . . 104 Leu CD1 . 27957 2 172 . 2 . 2 104 104 LEU CD2 C 13 23.331 0.0173 . 1 . . . . . 104 Leu CD2 . 27957 2 173 . 2 . 2 108 108 ILE HD11 H 1 0.704 0.0014 . 1 . . . . . 108 Ile HD11 . 27957 2 174 . 2 . 2 108 108 ILE HD12 H 1 0.704 0.0014 . 1 . . . . . 108 Ile HD12 . 27957 2 175 . 2 . 2 108 108 ILE HD13 H 1 0.704 0.0014 . 1 . . . . . 108 Ile HD13 . 27957 2 176 . 2 . 2 108 108 ILE CD1 C 13 13.280 0.0173 . 1 . . . . . 108 Ile CD1 . 27957 2 177 . 2 . 2 110 110 LEU HD21 H 1 0.783 0.0014 . 1 . . . . . 110 Leu HD21 . 27957 2 178 . 2 . 2 110 110 LEU HD22 H 1 0.783 0.0014 . 1 . . . . . 110 Leu HD22 . 27957 2 179 . 2 . 2 110 110 LEU HD23 H 1 0.783 0.0014 . 1 . . . . . 110 Leu HD23 . 27957 2 180 . 2 . 2 110 110 LEU CD2 C 13 26.418 0.0173 . 1 . . . . . 110 Leu CD2 . 27957 2 181 . 2 . 2 111 111 LEU HD11 H 1 1.075 0.0014 . 1 . . . . . 111 Leu HD11 . 27957 2 182 . 2 . 2 111 111 LEU HD12 H 1 1.075 0.0014 . 1 . . . . . 111 Leu HD12 . 27957 2 183 . 2 . 2 111 111 LEU HD13 H 1 1.075 0.0014 . 1 . . . . . 111 Leu HD13 . 27957 2 184 . 2 . 2 111 111 LEU HD21 H 1 0.997 0.0014 . 1 . . . . . 111 Leu HD21 . 27957 2 185 . 2 . 2 111 111 LEU HD22 H 1 0.997 0.0014 . 1 . . . . . 111 Leu HD22 . 27957 2 186 . 2 . 2 111 111 LEU HD23 H 1 0.997 0.0014 . 1 . . . . . 111 Leu HD23 . 27957 2 187 . 2 . 2 111 111 LEU CD1 C 13 24.074 0.0173 . 1 . . . . . 111 Leu CD1 . 27957 2 188 . 2 . 2 111 111 LEU CD2 C 13 26.263 0.0173 . 1 . . . . . 111 Leu CD2 . 27957 2 189 . 2 . 2 112 112 ILE HD11 H 1 0.689 0.0014 . 1 . . . . . 112 Ile HD11 . 27957 2 190 . 2 . 2 112 112 ILE HD12 H 1 0.689 0.0014 . 1 . . . . . 112 Ile HD12 . 27957 2 191 . 2 . 2 112 112 ILE HD13 H 1 0.689 0.0014 . 1 . . . . . 112 Ile HD13 . 27957 2 192 . 2 . 2 112 112 ILE CD1 C 13 13.280 0.0173 . 1 . . . . . 112 Ile CD1 . 27957 2 193 . 2 . 2 113 113 LEU HD11 H 1 0.909 0.0014 . 1 . . . . . 113 Leu HD11 . 27957 2 194 . 2 . 2 113 113 LEU HD12 H 1 0.909 0.0014 . 1 . . . . . 113 Leu HD12 . 27957 2 195 . 2 . 2 113 113 LEU HD13 H 1 0.909 0.0014 . 1 . . . . . 113 Leu HD13 . 27957 2 196 . 2 . 2 113 113 LEU HD21 H 1 0.856 0.0014 . 1 . . . . . 113 Leu HD21 . 27957 2 197 . 2 . 2 113 113 LEU HD22 H 1 0.856 0.0014 . 1 . . . . . 113 Leu HD22 . 27957 2 198 . 2 . 2 113 113 LEU HD23 H 1 0.856 0.0014 . 1 . . . . . 113 Leu HD23 . 27957 2 199 . 2 . 2 113 113 LEU CD1 C 13 26.346 0.0173 . 1 . . . . . 113 Leu CD1 . 27957 2 200 . 2 . 2 113 113 LEU CD2 C 13 25.563 0.0173 . 1 . . . . . 113 Leu CD2 . 27957 2 201 . 2 . 2 128 128 LEU HD11 H 1 0.796 0.0014 . 1 . . . . . 128 Leu HD11 . 27957 2 202 . 2 . 2 128 128 LEU HD12 H 1 0.796 0.0014 . 1 . . . . . 128 Leu HD12 . 27957 2 203 . 2 . 2 128 128 LEU HD13 H 1 0.796 0.0014 . 1 . . . . . 128 Leu HD13 . 27957 2 204 . 2 . 2 128 128 LEU HD21 H 1 0.870 0.0014 . 1 . . . . . 128 Leu HD21 . 27957 2 205 . 2 . 2 128 128 LEU HD22 H 1 0.870 0.0014 . 1 . . . . . 128 Leu HD22 . 27957 2 206 . 2 . 2 128 128 LEU HD23 H 1 0.870 0.0014 . 1 . . . . . 128 Leu HD23 . 27957 2 207 . 2 . 2 128 128 LEU CD1 C 13 23.026 0.0173 . 1 . . . . . 128 Leu CD1 . 27957 2 208 . 2 . 2 128 128 LEU CD2 C 13 25.781 0.0173 . 1 . . . . . 128 Leu CD2 . 27957 2 209 . 2 . 2 129 129 ILE HD11 H 1 0.856 0.0014 . 1 . . . . . 129 Ile HD11 . 27957 2 210 . 2 . 2 129 129 ILE HD12 H 1 0.856 0.0014 . 1 . . . . . 129 Ile HD12 . 27957 2 211 . 2 . 2 129 129 ILE HD13 H 1 0.856 0.0014 . 1 . . . . . 129 Ile HD13 . 27957 2 212 . 2 . 2 129 129 ILE CD1 C 13 13.340 0.0173 . 1 . . . . . 129 Ile CD1 . 27957 2 213 . 2 . 2 131 131 ILE HD11 H 1 0.378 0.0014 . 1 . . . . . 131 Ile HD11 . 27957 2 214 . 2 . 2 131 131 ILE HD12 H 1 0.378 0.0014 . 1 . . . . . 131 Ile HD12 . 27957 2 215 . 2 . 2 131 131 ILE HD13 H 1 0.378 0.0014 . 1 . . . . . 131 Ile HD13 . 27957 2 216 . 2 . 2 131 131 ILE CD1 C 13 13.762 0.0173 . 1 . . . . . 131 Ile CD1 . 27957 2 217 . 2 . 2 132 132 MET HE1 H 1 1.999 0.0014 . 1 . . . . . 132 Met HE1 . 27957 2 218 . 2 . 2 132 132 MET HE2 H 1 1.999 0.0014 . 1 . . . . . 132 Met HE2 . 27957 2 219 . 2 . 2 132 132 MET HE3 H 1 1.999 0.0014 . 1 . . . . . 132 Met HE3 . 27957 2 220 . 2 . 2 132 132 MET CE C 13 16.772 0.0173 . 1 . . . . . 132 Met CE . 27957 2 221 . 2 . 2 136 136 LEU HD11 H 1 1.012 0.0014 . 1 . . . . . 136 Leu HD11 . 27957 2 222 . 2 . 2 136 136 LEU HD12 H 1 1.012 0.0014 . 1 . . . . . 136 Leu HD12 . 27957 2 223 . 2 . 2 136 136 LEU HD13 H 1 1.012 0.0014 . 1 . . . . . 136 Leu HD13 . 27957 2 224 . 2 . 2 136 136 LEU CD1 C 13 22.543 0.0173 . 1 . . . . . 136 Leu CD1 . 27957 2 225 . 2 . 2 139 139 ILE HD11 H 1 0.842 0.0014 . 1 . . . . . 139 Ile HD11 . 27957 2 226 . 2 . 2 139 139 ILE HD12 H 1 0.842 0.0014 . 1 . . . . . 139 Ile HD12 . 27957 2 227 . 2 . 2 139 139 ILE HD13 H 1 0.842 0.0014 . 1 . . . . . 139 Ile HD13 . 27957 2 228 . 2 . 2 139 139 ILE CD1 C 13 12.820 0.0173 . 1 . . . . . 139 Ile CD1 . 27957 2 229 . 2 . 2 142 142 VAL HG11 H 1 0.951 0.0014 . 1 . . . . . 142 Val HG11 . 27957 2 230 . 2 . 2 142 142 VAL HG12 H 1 0.951 0.0014 . 1 . . . . . 142 Val HG12 . 27957 2 231 . 2 . 2 142 142 VAL HG13 H 1 0.951 0.0014 . 1 . . . . . 142 Val HG13 . 27957 2 232 . 2 . 2 142 142 VAL HG21 H 1 1.078 0.0014 . 1 . . . . . 142 Val HG21 . 27957 2 233 . 2 . 2 142 142 VAL HG22 H 1 1.078 0.0014 . 1 . . . . . 142 Val HG22 . 27957 2 234 . 2 . 2 142 142 VAL HG23 H 1 1.078 0.0014 . 1 . . . . . 142 Val HG23 . 27957 2 235 . 2 . 2 142 142 VAL CG1 C 13 20.995 0.0173 . 1 . . . . . 142 Val CG1 . 27957 2 236 . 2 . 2 142 142 VAL CG2 C 13 23.013 0.0173 . 1 . . . . . 142 Val CG2 . 27957 2 237 . 2 . 2 143 143 ILE HD11 H 1 0.135 0.0014 . 1 . . . . . 143 Ile HD11 . 27957 2 238 . 2 . 2 143 143 ILE HD12 H 1 0.135 0.0014 . 1 . . . . . 143 Ile HD12 . 27957 2 239 . 2 . 2 143 143 ILE HD13 H 1 0.135 0.0014 . 1 . . . . . 143 Ile HD13 . 27957 2 240 . 2 . 2 143 143 ILE CD1 C 13 12.575 0.0173 . 1 . . . . . 143 Ile CD1 . 27957 2 241 . 2 . 2 144 144 LEU HD11 H 1 0.887 0.0014 . 1 . . . . . 144 Leu HD11 . 27957 2 242 . 2 . 2 144 144 LEU HD12 H 1 0.887 0.0014 . 1 . . . . . 144 Leu HD12 . 27957 2 243 . 2 . 2 144 144 LEU HD13 H 1 0.887 0.0014 . 1 . . . . . 144 Leu HD13 . 27957 2 244 . 2 . 2 144 144 LEU HD21 H 1 0.833 0.0014 . 1 . . . . . 144 Leu HD21 . 27957 2 245 . 2 . 2 144 144 LEU HD22 H 1 0.833 0.0014 . 1 . . . . . 144 Leu HD22 . 27957 2 246 . 2 . 2 144 144 LEU HD23 H 1 0.833 0.0014 . 1 . . . . . 144 Leu HD23 . 27957 2 247 . 2 . 2 144 144 LEU CD1 C 13 25.166 0.0173 . 1 . . . . . 144 Leu CD1 . 27957 2 248 . 2 . 2 144 144 LEU CD2 C 13 25.515 0.0173 . 1 . . . . . 144 Leu CD2 . 27957 2 249 . 2 . 2 151 151 LEU HD11 H 1 0.871 0.0014 . 1 . . . . . 151 Leu HD11 . 27957 2 250 . 2 . 2 151 151 LEU HD12 H 1 0.871 0.0014 . 1 . . . . . 151 Leu HD12 . 27957 2 251 . 2 . 2 151 151 LEU HD13 H 1 0.871 0.0014 . 1 . . . . . 151 Leu HD13 . 27957 2 252 . 2 . 2 151 151 LEU HD21 H 1 0.769 0.0014 . 1 . . . . . 151 Leu HD21 . 27957 2 253 . 2 . 2 151 151 LEU HD22 H 1 0.769 0.0014 . 1 . . . . . 151 Leu HD22 . 27957 2 254 . 2 . 2 151 151 LEU HD23 H 1 0.769 0.0014 . 1 . . . . . 151 Leu HD23 . 27957 2 255 . 2 . 2 151 151 LEU CD1 C 13 25.141 0.0173 . 1 . . . . . 151 Leu CD1 . 27957 2 256 . 2 . 2 151 151 LEU CD2 C 13 22.512 0.0173 . 1 . . . . . 151 Leu CD2 . 27957 2 257 . 2 . 2 158 158 VAL HG11 H 1 0.983 0.0014 . 1 . . . . . 158 Val HG11 . 27957 2 258 . 2 . 2 158 158 VAL HG12 H 1 0.983 0.0014 . 1 . . . . . 158 Val HG12 . 27957 2 259 . 2 . 2 158 158 VAL HG13 H 1 0.983 0.0014 . 1 . . . . . 158 Val HG13 . 27957 2 260 . 2 . 2 158 158 VAL HG21 H 1 0.856 0.0014 . 1 . . . . . 158 Val HG21 . 27957 2 261 . 2 . 2 158 158 VAL HG22 H 1 0.856 0.0014 . 1 . . . . . 158 Val HG22 . 27957 2 262 . 2 . 2 158 158 VAL HG23 H 1 0.856 0.0014 . 1 . . . . . 158 Val HG23 . 27957 2 263 . 2 . 2 158 158 VAL CG1 C 13 22.400 0.0173 . 1 . . . . . 158 Val CG1 . 27957 2 264 . 2 . 2 158 158 VAL CG2 C 13 21.603 0.0173 . 1 . . . . . 158 Val CG2 . 27957 2 265 . 2 . 2 159 159 ILE HD11 H 1 0.825 0.0014 . 1 . . . . . 159 Ile HD11 . 27957 2 266 . 2 . 2 159 159 ILE HD12 H 1 0.825 0.0014 . 1 . . . . . 159 Ile HD12 . 27957 2 267 . 2 . 2 159 159 ILE HD13 H 1 0.825 0.0014 . 1 . . . . . 159 Ile HD13 . 27957 2 268 . 2 . 2 159 159 ILE CD1 C 13 14.546 0.0173 . 1 . . . . . 159 Ile CD1 . 27957 2 269 . 2 . 2 161 161 ILE HD11 H 1 0.776 0.0014 . 1 . . . . . 161 Ile HD11 . 27957 2 270 . 2 . 2 161 161 ILE HD12 H 1 0.776 0.0014 . 1 . . . . . 161 Ile HD12 . 27957 2 271 . 2 . 2 161 161 ILE HD13 H 1 0.776 0.0014 . 1 . . . . . 161 Ile HD13 . 27957 2 272 . 2 . 2 161 161 ILE CD1 C 13 13.126 0.0173 . 1 . . . . . 161 Ile CD1 . 27957 2 273 . 2 . 2 163 163 LEU HD11 H 1 0.712 0.0014 . 1 . . . . . 163 Leu HD11 . 27957 2 274 . 2 . 2 163 163 LEU HD12 H 1 0.712 0.0014 . 1 . . . . . 163 Leu HD12 . 27957 2 275 . 2 . 2 163 163 LEU HD13 H 1 0.712 0.0014 . 1 . . . . . 163 Leu HD13 . 27957 2 276 . 2 . 2 163 163 LEU HD21 H 1 0.736 0.0014 . 1 . . . . . 163 Leu HD21 . 27957 2 277 . 2 . 2 163 163 LEU HD22 H 1 0.736 0.0014 . 1 . . . . . 163 Leu HD22 . 27957 2 278 . 2 . 2 163 163 LEU HD23 H 1 0.736 0.0014 . 1 . . . . . 163 Leu HD23 . 27957 2 279 . 2 . 2 163 163 LEU CD1 C 13 23.881 0.0173 . 1 . . . . . 163 Leu CD1 . 27957 2 280 . 2 . 2 163 163 LEU CD2 C 13 24.252 0.0173 . 1 . . . . . 163 Leu CD2 . 27957 2 281 . 2 . 2 170 170 VAL HG11 H 1 1.046 0.0014 . 1 . . . . . 170 Val HG11 . 27957 2 282 . 2 . 2 170 170 VAL HG12 H 1 1.046 0.0014 . 1 . . . . . 170 Val HG12 . 27957 2 283 . 2 . 2 170 170 VAL HG13 H 1 1.046 0.0014 . 1 . . . . . 170 Val HG13 . 27957 2 284 . 2 . 2 170 170 VAL HG21 H 1 0.931 0.0014 . 1 . . . . . 170 Val HG21 . 27957 2 285 . 2 . 2 170 170 VAL HG22 H 1 0.931 0.0014 . 1 . . . . . 170 Val HG22 . 27957 2 286 . 2 . 2 170 170 VAL HG23 H 1 0.931 0.0014 . 1 . . . . . 170 Val HG23 . 27957 2 287 . 2 . 2 170 170 VAL CG1 C 13 21.592 0.0173 . 1 . . . . . 170 Val CG1 . 27957 2 288 . 2 . 2 170 170 VAL CG2 C 13 21.636 0.0173 . 1 . . . . . 170 Val CG2 . 27957 2 289 . 2 . 2 173 173 VAL HG11 H 1 0.917 0.0014 . 1 . . . . . 173 Val HG11 . 27957 2 290 . 2 . 2 173 173 VAL HG12 H 1 0.917 0.0014 . 1 . . . . . 173 Val HG12 . 27957 2 291 . 2 . 2 173 173 VAL HG13 H 1 0.917 0.0014 . 1 . . . . . 173 Val HG13 . 27957 2 292 . 2 . 2 173 173 VAL HG21 H 1 0.967 0.0014 . 1 . . . . . 173 Val HG21 . 27957 2 293 . 2 . 2 173 173 VAL HG22 H 1 0.967 0.0014 . 1 . . . . . 173 Val HG22 . 27957 2 294 . 2 . 2 173 173 VAL HG23 H 1 0.967 0.0014 . 1 . . . . . 173 Val HG23 . 27957 2 295 . 2 . 2 173 173 VAL CG1 C 13 21.517 0.0173 . 1 . . . . . 173 Val CG1 . 27957 2 296 . 2 . 2 173 173 VAL CG2 C 13 20.910 0.0173 . 1 . . . . . 173 Val CG2 . 27957 2 stop_ save_