################################### # 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 34507 _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 $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 1H-1H-NOESY . . . 34507 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 . 1 1 1 SER HA H 1 4.400 . . . . . . . A 26 SER HA . 34507 1 2 . 1 . 1 1 1 SER HB2 H 1 3.963 . . . . . . . A 26 SER HB2 . 34507 1 3 . 1 . 1 1 1 SER HB3 H 1 3.834 . . . . . . . A 26 SER HB3 . 34507 1 4 . 1 . 1 1 1 SER HG H 1 7.789 . . . . . . . A 26 SER HG . 34507 1 5 . 1 . 1 1 1 SER CA C 13 58.000 . . . . . . . A 26 SER CA . 34507 1 6 . 1 . 1 1 1 SER CB C 13 63.139 . . . . . . . A 26 SER CB . 34507 1 7 . 1 . 1 2 2 ASN HA H 1 4.790 . . . . . . . A 27 ASN HA . 34507 1 8 . 1 . 1 2 2 ASN HB2 H 1 2.916 . . . . . . . A 27 ASN HB2 . 34507 1 9 . 1 . 1 2 2 ASN HB3 H 1 2.916 . . . . . . . A 27 ASN HB3 . 34507 1 10 . 1 . 1 2 2 ASN CB C 13 37.156 . . . . . . . A 27 ASN CB . 34507 1 11 . 1 . 1 3 3 LYS H H 1 8.044 . . . . . . . A 28 LYS H . 34507 1 12 . 1 . 1 3 3 LYS HA H 1 4.116 . . . . . . . A 28 LYS HA . 34507 1 13 . 1 . 1 3 3 LYS CA C 13 58.153 . . . . . . . A 28 LYS CA . 34507 1 14 . 1 . 1 4 4 GLY H H 1 8.241 . . . . . . . A 29 GLY H . 34507 1 15 . 1 . 1 4 4 GLY HA2 H 1 3.852 . . . . . . . A 29 GLY HA2 . 34507 1 16 . 1 . 1 4 4 GLY HA3 H 1 3.852 . . . . . . . A 29 GLY HA3 . 34507 1 17 . 1 . 1 4 4 GLY CA C 13 45.819 . . . . . . . A 29 GLY CA . 34507 1 18 . 1 . 1 5 5 ALA H H 1 7.652 . . . . . . . A 30 ALA H . 34507 1 19 . 1 . 1 5 5 ALA HA H 1 4.228 . . . . . . . A 30 ALA HA . 34507 1 20 . 1 . 1 5 5 ALA HB1 H 1 1.498 . . . . . . . A 30 ALA HB1 . 34507 1 21 . 1 . 1 5 5 ALA HB2 H 1 1.498 . . . . . . . A 30 ALA HB2 . 34507 1 22 . 1 . 1 5 5 ALA HB3 H 1 1.498 . . . . . . . A 30 ALA HB3 . 34507 1 23 . 1 . 1 5 5 ALA CA C 13 53.678 . . . . . . . A 30 ALA CA . 34507 1 24 . 1 . 1 5 5 ALA CB C 13 17.258 . . . . . . . A 30 ALA CB . 34507 1 25 . 1 . 1 6 6 ILE H H 1 7.500 . . . . . . . A 31 ILE H . 34507 1 26 . 1 . 1 6 6 ILE HA H 1 3.946 . . . . . . . A 31 ILE HA . 34507 1 27 . 1 . 1 6 6 ILE HB H 1 2.030 . . . . . . . A 31 ILE HB . 34507 1 28 . 1 . 1 6 6 ILE HG12 H 1 1.303 . . . . . . . A 31 ILE HG12 . 34507 1 29 . 1 . 1 6 6 ILE HG13 H 1 1.646 . . . . . . . A 31 ILE HG13 . 34507 1 30 . 1 . 1 6 6 ILE HG21 H 1 0.995 . . . . . . . A 31 ILE HG21 . 34507 1 31 . 1 . 1 6 6 ILE HG22 H 1 0.995 . . . . . . . A 31 ILE HG22 . 34507 1 32 . 1 . 1 6 6 ILE HG23 H 1 0.995 . . . . . . . A 31 ILE HG23 . 34507 1 33 . 1 . 1 6 6 ILE HD11 H 1 0.901 . . . . . . . A 31 ILE HD11 . 34507 1 34 . 1 . 1 6 6 ILE HD12 H 1 0.901 . . . . . . . A 31 ILE HD12 . 34507 1 35 . 1 . 1 6 6 ILE HD13 H 1 0.901 . . . . . . . A 31 ILE HD13 . 34507 1 36 . 1 . 1 6 6 ILE CA C 13 63.024 . . . . . . . A 31 ILE CA . 34507 1 37 . 1 . 1 6 6 ILE CB C 13 37.358 . . . . . . . A 31 ILE CB . 34507 1 38 . 1 . 1 6 6 ILE CG1 C 13 27.631 . . . . . . . A 31 ILE CG1 . 34507 1 39 . 1 . 1 6 6 ILE CG2 C 13 16.198 . . . . . . . A 31 ILE CG2 . 34507 1 40 . 1 . 1 6 6 ILE CD1 C 13 11.224 . . . . . . . A 31 ILE CD1 . 34507 1 41 . 1 . 1 7 7 ILE H H 1 7.844 . . . . . . . A 32 ILE H . 34507 1 42 . 1 . 1 7 7 ILE HA H 1 3.841 . . . . . . . A 32 ILE HA . 34507 1 43 . 1 . 1 7 7 ILE HB H 1 1.930 . . . . . . . A 32 ILE HB . 34507 1 44 . 1 . 1 7 7 ILE HG12 H 1 1.264 . . . . . . . A 32 ILE HG12 . 34507 1 45 . 1 . 1 7 7 ILE HG13 H 1 1.690 . . . . . . . A 32 ILE HG13 . 34507 1 46 . 1 . 1 7 7 ILE HG21 H 1 0.945 . . . . . . . A 32 ILE HG21 . 34507 1 47 . 1 . 1 7 7 ILE HG22 H 1 0.945 . . . . . . . A 32 ILE HG22 . 34507 1 48 . 1 . 1 7 7 ILE HG23 H 1 0.945 . . . . . . . A 32 ILE HG23 . 34507 1 49 . 1 . 1 7 7 ILE HD11 H 1 0.884 . . . . . . . A 32 ILE HD11 . 34507 1 50 . 1 . 1 7 7 ILE HD12 H 1 0.884 . . . . . . . A 32 ILE HD12 . 34507 1 51 . 1 . 1 7 7 ILE HD13 H 1 0.884 . . . . . . . A 32 ILE HD13 . 34507 1 52 . 1 . 1 7 7 ILE CA C 13 63.981 . . . . . . . A 32 ILE CA . 34507 1 53 . 1 . 1 7 7 ILE CB C 13 37.016 . . . . . . . A 32 ILE CB . 34507 1 54 . 1 . 1 7 7 ILE CG1 C 13 27.926 . . . . . . . A 32 ILE CG1 . 34507 1 55 . 1 . 1 7 7 ILE CG2 C 13 15.861 . . . . . . . A 32 ILE CG2 . 34507 1 56 . 1 . 1 7 7 ILE CD1 C 13 11.178 . . . . . . . A 32 ILE CD1 . 34507 1 57 . 1 . 1 8 8 GLY H H 1 7.897 . . . . . . . A 33 GLY H . 34507 1 58 . 1 . 1 8 8 GLY HA2 H 1 3.823 . . . . . . . A 33 GLY HA2 . 34507 1 59 . 1 . 1 8 8 GLY HA3 H 1 3.823 . . . . . . . A 33 GLY HA3 . 34507 1 60 . 1 . 1 8 8 GLY CA C 13 46.295 . . . . . . . A 33 GLY CA . 34507 1 61 . 1 . 1 9 9 LEU H H 1 7.773 . . . . . . . A 34 LEU H . 34507 1 62 . 1 . 1 9 9 LEU HA H 1 4.266 . . . . . . . A 34 LEU HA . 34507 1 63 . 1 . 1 9 9 LEU HB2 H 1 1.887 . . . . . . . A 34 LEU HB2 . 34507 1 64 . 1 . 1 9 9 LEU HB3 H 1 1.812 . . . . . . . A 34 LEU HB3 . 34507 1 65 . 1 . 1 9 9 LEU HG H 1 1.786 . . . . . . . A 34 LEU HG . 34507 1 66 . 1 . 1 9 9 LEU HD11 H 1 0.952 . . . . . . . A 34 LEU HD11 . 34507 1 67 . 1 . 1 9 9 LEU HD12 H 1 0.952 . . . . . . . A 34 LEU HD12 . 34507 1 68 . 1 . 1 9 9 LEU HD13 H 1 0.952 . . . . . . . A 34 LEU HD13 . 34507 1 69 . 1 . 1 9 9 LEU HD21 H 1 0.924 . . . . . . . A 34 LEU HD21 . 34507 1 70 . 1 . 1 9 9 LEU HD22 H 1 0.924 . . . . . . . A 34 LEU HD22 . 34507 1 71 . 1 . 1 9 9 LEU HD23 H 1 0.924 . . . . . . . A 34 LEU HD23 . 34507 1 72 . 1 . 1 9 9 LEU CA C 13 57.116 . . . . . . . A 34 LEU CA . 34507 1 73 . 1 . 1 9 9 LEU CB C 13 41.367 . . . . . . . A 34 LEU CB . 34507 1 74 . 1 . 1 9 9 LEU CG C 13 26.221 . . . . . . . A 34 LEU CG . 34507 1 75 . 1 . 1 9 9 LEU CD1 C 13 23.036 . . . . . . . A 34 LEU CD1 . 34507 1 76 . 1 . 1 9 9 LEU CD2 C 13 22.605 . . . . . . . A 34 LEU CD2 . 34507 1 77 . 1 . 1 10 10 MET H H 1 8.121 . . . . . . . A 35 MET H . 34507 1 78 . 1 . 1 10 10 MET HA H 1 4.246 . . . . . . . A 35 MET HA . 34507 1 79 . 1 . 1 10 10 MET HB2 H 1 2.331 . . . . . . . A 35 MET HB2 . 34507 1 80 . 1 . 1 10 10 MET HB3 H 1 2.172 . . . . . . . A 35 MET HB3 . 34507 1 81 . 1 . 1 10 10 MET HG2 H 1 2.767 . . . . . . . A 35 MET HG2 . 34507 1 82 . 1 . 1 10 10 MET HG3 H 1 2.605 . . . . . . . A 35 MET HG3 . 34507 1 83 . 1 . 1 10 10 MET CA C 13 58.022 . . . . . . . A 35 MET CA . 34507 1 84 . 1 . 1 10 10 MET CB C 13 31.576 . . . . . . . A 35 MET CB . 34507 1 85 . 1 . 1 10 10 MET CG C 13 31.538 . . . . . . . A 35 MET CG . 34507 1 86 . 1 . 1 11 11 VAL H H 1 8.454 . . . . . . . A 36 VAL H . 34507 1 87 . 1 . 1 11 11 VAL HA H 1 3.715 . . . . . . . A 36 VAL HA . 34507 1 88 . 1 . 1 11 11 VAL HB H 1 2.144 . . . . . . . A 36 VAL HB . 34507 1 89 . 1 . 1 11 11 VAL HG11 H 1 1.082 . . . . . . . A 36 VAL HG11 . 34507 1 90 . 1 . 1 11 11 VAL HG12 H 1 1.082 . . . . . . . A 36 VAL HG12 . 34507 1 91 . 1 . 1 11 11 VAL HG13 H 1 1.082 . . . . . . . A 36 VAL HG13 . 34507 1 92 . 1 . 1 11 11 VAL HG21 H 1 0.957 . . . . . . . A 36 VAL HG21 . 34507 1 93 . 1 . 1 11 11 VAL HG22 H 1 0.957 . . . . . . . A 36 VAL HG22 . 34507 1 94 . 1 . 1 11 11 VAL HG23 H 1 0.957 . . . . . . . A 36 VAL HG23 . 34507 1 95 . 1 . 1 11 11 VAL CA C 13 65.828 . . . . . . . A 36 VAL CA . 34507 1 96 . 1 . 1 11 11 VAL CB C 13 31.111 . . . . . . . A 36 VAL CB . 34507 1 97 . 1 . 1 11 11 VAL CG1 C 13 20.967 . . . . . . . A 36 VAL CG1 . 34507 1 98 . 1 . 1 11 11 VAL CG2 C 13 19.763 . . . . . . . A 36 VAL CG2 . 34507 1 99 . 1 . 1 12 12 GLY H H 1 7.864 . . . . . . . A 37 GLY H . 34507 1 100 . 1 . 1 12 12 GLY HA2 H 1 3.892 . . . . . . . A 37 GLY HA2 . 34507 1 101 . 1 . 1 12 12 GLY HA3 H 1 3.808 . . . . . . . A 37 GLY HA3 . 34507 1 102 . 1 . 1 12 12 GLY CA C 13 46.528 . . . . . . . A 37 GLY CA . 34507 1 103 . 1 . 1 13 13 LEU H H 1 7.941 . . . . . . . A 38 LEU H . 34507 1 104 . 1 . 1 13 13 LEU HA H 1 4.217 . . . . . . . A 38 LEU HA . 34507 1 105 . 1 . 1 13 13 LEU HB2 H 1 2.016 . . . . . . . A 38 LEU HB2 . 34507 1 106 . 1 . 1 13 13 LEU HB3 H 1 1.636 . . . . . . . A 38 LEU HB3 . 34507 1 107 . 1 . 1 13 13 LEU HG H 1 1.929 . . . . . . . A 38 LEU HG . 34507 1 108 . 1 . 1 13 13 LEU HD11 H 1 0.906 . . . . . . . A 38 LEU HD11 . 34507 1 109 . 1 . 1 13 13 LEU HD12 H 1 0.906 . . . . . . . A 38 LEU HD12 . 34507 1 110 . 1 . 1 13 13 LEU HD13 H 1 0.906 . . . . . . . A 38 LEU HD13 . 34507 1 111 . 1 . 1 13 13 LEU HD21 H 1 0.952 . . . . . . . A 38 LEU HD21 . 34507 1 112 . 1 . 1 13 13 LEU HD22 H 1 0.952 . . . . . . . A 38 LEU HD22 . 34507 1 113 . 1 . 1 13 13 LEU HD23 H 1 0.952 . . . . . . . A 38 LEU HD23 . 34507 1 114 . 1 . 1 13 13 LEU CA C 13 57.417 . . . . . . . A 38 LEU CA . 34507 1 115 . 1 . 1 13 13 LEU CB C 13 41.085 . . . . . . . A 38 LEU CB . 34507 1 116 . 1 . 1 13 13 LEU CG C 13 26.005 . . . . . . . A 38 LEU CG . 34507 1 117 . 1 . 1 13 13 LEU CD1 C 13 21.695 . . . . . . . A 38 LEU CD1 . 34507 1 118 . 1 . 1 13 13 LEU CD2 C 13 23.657 . . . . . . . A 38 LEU CD2 . 34507 1 119 . 1 . 1 14 14 VAL H H 1 7.865 . . . . . . . A 39 VAL H . 34507 1 120 . 1 . 1 14 14 VAL HA H 1 3.747 . . . . . . . A 39 VAL HA . 34507 1 121 . 1 . 1 14 14 VAL HB H 1 2.378 . . . . . . . A 39 VAL HB . 34507 1 122 . 1 . 1 14 14 VAL HG11 H 1 1.113 . . . . . . . A 39 VAL HG11 . 34507 1 123 . 1 . 1 14 14 VAL HG12 H 1 1.113 . . . . . . . A 39 VAL HG12 . 34507 1 124 . 1 . 1 14 14 VAL HG13 H 1 1.113 . . . . . . . A 39 VAL HG13 . 34507 1 125 . 1 . 1 14 14 VAL HG21 H 1 0.981 . . . . . . . A 39 VAL HG21 . 34507 1 126 . 1 . 1 14 14 VAL HG22 H 1 0.981 . . . . . . . A 39 VAL HG22 . 34507 1 127 . 1 . 1 14 14 VAL HG23 H 1 0.981 . . . . . . . A 39 VAL HG23 . 34507 1 128 . 1 . 1 14 14 VAL CA C 13 65.798 . . . . . . . A 39 VAL CA . 34507 1 129 . 1 . 1 14 14 VAL CB C 13 30.912 . . . . . . . A 39 VAL CB . 34507 1 130 . 1 . 1 14 14 VAL CG1 C 13 21.352 . . . . . . . A 39 VAL CG1 . 34507 1 131 . 1 . 1 14 14 VAL CG2 C 13 19.885 . . . . . . . A 39 VAL CG2 . 34507 1 132 . 1 . 1 15 15 VAL H H 1 8.390 . . . . . . . A 40 VAL H . 34507 1 133 . 1 . 1 15 15 VAL HA H 1 3.605 . . . . . . . A 40 VAL HA . 34507 1 134 . 1 . 1 15 15 VAL HB H 1 2.342 . . . . . . . A 40 VAL HB . 34507 1 135 . 1 . 1 15 15 VAL HG11 H 1 0.947 . . . . . . . A 40 VAL HG11 . 34507 1 136 . 1 . 1 15 15 VAL HG12 H 1 0.947 . . . . . . . A 40 VAL HG12 . 34507 1 137 . 1 . 1 15 15 VAL HG13 H 1 0.947 . . . . . . . A 40 VAL HG13 . 34507 1 138 . 1 . 1 15 15 VAL HG21 H 1 1.090 . . . . . . . A 40 VAL HG21 . 34507 1 139 . 1 . 1 15 15 VAL HG22 H 1 1.090 . . . . . . . A 40 VAL HG22 . 34507 1 140 . 1 . 1 15 15 VAL HG23 H 1 1.090 . . . . . . . A 40 VAL HG23 . 34507 1 141 . 1 . 1 15 15 VAL CA C 13 67.085 . . . . . . . A 40 VAL CA . 34507 1 142 . 1 . 1 15 15 VAL CB C 13 30.862 . . . . . . . A 40 VAL CB . 34507 1 143 . 1 . 1 15 15 VAL CG1 C 13 19.565 . . . . . . . A 40 VAL CG1 . 34507 1 144 . 1 . 1 15 15 VAL CG2 C 13 21.337 . . . . . . . A 40 VAL CG2 . 34507 1 145 . 1 . 1 16 16 ILE H H 1 8.208 . . . . . . . A 41 ILE H . 34507 1 146 . 1 . 1 16 16 ILE HA H 1 3.739 . . . . . . . A 41 ILE HA . 34507 1 147 . 1 . 1 16 16 ILE HB H 1 1.978 . . . . . . . A 41 ILE HB . 34507 1 148 . 1 . 1 16 16 ILE HG12 H 1 1.236 . . . . . . . A 41 ILE HG12 . 34507 1 149 . 1 . 1 16 16 ILE HG13 H 1 1.789 . . . . . . . A 41 ILE HG13 . 34507 1 150 . 1 . 1 16 16 ILE HG21 H 1 0.980 . . . . . . . A 41 ILE HG21 . 34507 1 151 . 1 . 1 16 16 ILE HG22 H 1 0.980 . . . . . . . A 41 ILE HG22 . 34507 1 152 . 1 . 1 16 16 ILE HG23 H 1 0.980 . . . . . . . A 41 ILE HG23 . 34507 1 153 . 1 . 1 16 16 ILE HD11 H 1 0.871 . . . . . . . A 41 ILE HD11 . 34507 1 154 . 1 . 1 16 16 ILE HD12 H 1 0.871 . . . . . . . A 41 ILE HD12 . 34507 1 155 . 1 . 1 16 16 ILE HD13 H 1 0.871 . . . . . . . A 41 ILE HD13 . 34507 1 156 . 1 . 1 16 16 ILE CA C 13 64.510 . . . . . . . A 41 ILE CA . 34507 1 157 . 1 . 1 16 16 ILE CB C 13 37.054 . . . . . . . A 41 ILE CB . 34507 1 158 . 1 . 1 16 16 ILE CG1 C 13 28.263 . . . . . . . A 41 ILE CG1 . 34507 1 159 . 1 . 1 16 16 ILE CG2 C 13 16.072 . . . . . . . A 41 ILE CG2 . 34507 1 160 . 1 . 1 16 16 ILE CD1 C 13 11.153 . . . . . . . A 41 ILE CD1 . 34507 1 161 . 1 . 1 17 17 ALA H H 1 8.241 . . . . . . . A 42 ALA H . 34507 1 162 . 1 . 1 17 17 ALA HA H 1 4.046 . . . . . . . A 42 ALA HA . 34507 1 163 . 1 . 1 17 17 ALA HB1 H 1 1.547 . . . . . . . A 42 ALA HB1 . 34507 1 164 . 1 . 1 17 17 ALA HB2 H 1 1.547 . . . . . . . A 42 ALA HB2 . 34507 1 165 . 1 . 1 17 17 ALA HB3 H 1 1.547 . . . . . . . A 42 ALA HB3 . 34507 1 166 . 1 . 1 17 17 ALA CA C 13 54.938 . . . . . . . A 42 ALA CA . 34507 1 167 . 1 . 1 17 17 ALA CB C 13 16.948 . . . . . . . A 42 ALA CB . 34507 1 168 . 1 . 1 18 18 THR H H 1 7.996 . . . . . . . A 43 THR H . 34507 1 169 . 1 . 1 18 18 THR HA H 1 3.896 . . . . . . . A 43 THR HA . 34507 1 170 . 1 . 1 18 18 THR HB H 1 4.584 . . . . . . . A 43 THR HB . 34507 1 171 . 1 . 1 18 18 THR HG1 H 1 5.644 . . . . . . . A 43 THR HG1 . 34507 1 172 . 1 . 1 18 18 THR HG21 H 1 1.281 . . . . . . . A 43 THR HG21 . 34507 1 173 . 1 . 1 18 18 THR HG22 H 1 1.281 . . . . . . . A 43 THR HG22 . 34507 1 174 . 1 . 1 18 18 THR HG23 H 1 1.281 . . . . . . . A 43 THR HG23 . 34507 1 175 . 1 . 1 18 18 THR CA C 13 66.765 . . . . . . . A 43 THR CA . 34507 1 176 . 1 . 1 18 18 THR CB C 13 68.303 . . . . . . . A 43 THR CB . 34507 1 177 . 1 . 1 18 18 THR CG2 C 13 19.481 . . . . . . . A 43 THR CG2 . 34507 1 178 . 1 . 1 19 19 VAL H H 1 8.337 . . . . . . . A 44 VAL H . 34507 1 179 . 1 . 1 19 19 VAL HA H 1 3.637 . . . . . . . A 44 VAL HA . 34507 1 180 . 1 . 1 19 19 VAL HB H 1 2.362 . . . . . . . A 44 VAL HB . 34507 1 181 . 1 . 1 19 19 VAL HG11 H 1 1.094 . . . . . . . A 44 VAL HG11 . 34507 1 182 . 1 . 1 19 19 VAL HG12 H 1 1.094 . . . . . . . A 44 VAL HG12 . 34507 1 183 . 1 . 1 19 19 VAL HG13 H 1 1.094 . . . . . . . A 44 VAL HG13 . 34507 1 184 . 1 . 1 19 19 VAL HG21 H 1 0.937 . . . . . . . A 44 VAL HG21 . 34507 1 185 . 1 . 1 19 19 VAL HG22 H 1 0.937 . . . . . . . A 44 VAL HG22 . 34507 1 186 . 1 . 1 19 19 VAL HG23 H 1 0.937 . . . . . . . A 44 VAL HG23 . 34507 1 187 . 1 . 1 19 19 VAL CA C 13 67.378 . . . . . . . A 44 VAL CA . 34507 1 188 . 1 . 1 19 19 VAL CB C 13 30.862 . . . . . . . A 44 VAL CB . 34507 1 189 . 1 . 1 19 19 VAL CG1 C 13 21.337 . . . . . . . A 44 VAL CG1 . 34507 1 190 . 1 . 1 19 19 VAL CG2 C 13 19.835 . . . . . . . A 44 VAL CG2 . 34507 1 191 . 1 . 1 20 20 ILE H H 1 8.532 . . . . . . . A 45 ILE H . 34507 1 192 . 1 . 1 20 20 ILE HA H 1 3.637 . . . . . . . A 45 ILE HA . 34507 1 193 . 1 . 1 20 20 ILE HB H 1 2.116 . . . . . . . A 45 ILE HB . 34507 1 194 . 1 . 1 20 20 ILE HG12 H 1 1.099 . . . . . . . A 45 ILE HG12 . 34507 1 195 . 1 . 1 20 20 ILE HG13 H 1 1.907 . . . . . . . A 45 ILE HG13 . 34507 1 196 . 1 . 1 20 20 ILE HG21 H 1 0.922 . . . . . . . A 45 ILE HG21 . 34507 1 197 . 1 . 1 20 20 ILE HG22 H 1 0.922 . . . . . . . A 45 ILE HG22 . 34507 1 198 . 1 . 1 20 20 ILE HG23 H 1 0.922 . . . . . . . A 45 ILE HG23 . 34507 1 199 . 1 . 1 20 20 ILE HD11 H 1 0.850 . . . . . . . A 45 ILE HD11 . 34507 1 200 . 1 . 1 20 20 ILE HD12 H 1 0.850 . . . . . . . A 45 ILE HD12 . 34507 1 201 . 1 . 1 20 20 ILE HD13 H 1 0.850 . . . . . . . A 45 ILE HD13 . 34507 1 202 . 1 . 1 20 20 ILE CA C 13 65.767 . . . . . . . A 45 ILE CA . 34507 1 203 . 1 . 1 20 20 ILE CB C 13 36.871 . . . . . . . A 45 ILE CB . 34507 1 204 . 1 . 1 20 20 ILE CG1 C 13 28.236 . . . . . . . A 45 ILE CG1 . 34507 1 205 . 1 . 1 20 20 ILE CG2 C 13 15.495 . . . . . . . A 45 ILE CG2 . 34507 1 206 . 1 . 1 20 20 ILE CD1 C 13 11.547 . . . . . . . A 45 ILE CD1 . 34507 1 207 . 1 . 1 21 21 VAL H H 1 8.220 . . . . . . . A 46 VAL H . 34507 1 208 . 1 . 1 21 21 VAL HA H 1 3.640 . . . . . . . A 46 VAL HA . 34507 1 209 . 1 . 1 21 21 VAL HB H 1 2.284 . . . . . . . A 46 VAL HB . 34507 1 210 . 1 . 1 21 21 VAL HG11 H 1 1.139 . . . . . . . A 46 VAL HG11 . 34507 1 211 . 1 . 1 21 21 VAL HG12 H 1 1.139 . . . . . . . A 46 VAL HG12 . 34507 1 212 . 1 . 1 21 21 VAL HG13 H 1 1.139 . . . . . . . A 46 VAL HG13 . 34507 1 213 . 1 . 1 21 21 VAL HG21 H 1 0.978 . . . . . . . A 46 VAL HG21 . 34507 1 214 . 1 . 1 21 21 VAL HG22 H 1 0.978 . . . . . . . A 46 VAL HG22 . 34507 1 215 . 1 . 1 21 21 VAL HG23 H 1 0.978 . . . . . . . A 46 VAL HG23 . 34507 1 216 . 1 . 1 21 21 VAL CA C 13 66.486 . . . . . . . A 46 VAL CA . 34507 1 217 . 1 . 1 21 21 VAL CB C 13 30.838 . . . . . . . A 46 VAL CB . 34507 1 218 . 1 . 1 21 21 VAL CG1 C 13 21.858 . . . . . . . A 46 VAL CG1 . 34507 1 219 . 1 . 1 21 21 VAL CG2 C 13 19.885 . . . . . . . A 46 VAL CG2 . 34507 1 220 . 1 . 1 22 22 ILE H H 1 8.576 . . . . . . . A 47 ILE H . 34507 1 221 . 1 . 1 22 22 ILE HA H 1 3.699 . . . . . . . A 47 ILE HA . 34507 1 222 . 1 . 1 22 22 ILE HB H 1 1.983 . . . . . . . A 47 ILE HB . 34507 1 223 . 1 . 1 22 22 ILE HG12 H 1 1.238 . . . . . . . A 47 ILE HG12 . 34507 1 224 . 1 . 1 22 22 ILE HG13 H 1 1.857 . . . . . . . A 47 ILE HG13 . 34507 1 225 . 1 . 1 22 22 ILE HG21 H 1 0.957 . . . . . . . A 47 ILE HG21 . 34507 1 226 . 1 . 1 22 22 ILE HG22 H 1 0.957 . . . . . . . A 47 ILE HG22 . 34507 1 227 . 1 . 1 22 22 ILE HG23 H 1 0.957 . . . . . . . A 47 ILE HG23 . 34507 1 228 . 1 . 1 22 22 ILE HD11 H 1 0.848 . . . . . . . A 47 ILE HD11 . 34507 1 229 . 1 . 1 22 22 ILE HD12 H 1 0.848 . . . . . . . A 47 ILE HD12 . 34507 1 230 . 1 . 1 22 22 ILE HD13 H 1 0.848 . . . . . . . A 47 ILE HD13 . 34507 1 231 . 1 . 1 22 22 ILE CA C 13 64.797 . . . . . . . A 47 ILE CA . 34507 1 232 . 1 . 1 22 22 ILE CB C 13 37.054 . . . . . . . A 47 ILE CB . 34507 1 233 . 1 . 1 22 22 ILE CG1 C 13 28.222 . . . . . . . A 47 ILE CG1 . 34507 1 234 . 1 . 1 22 22 ILE CG2 C 13 16.099 . . . . . . . A 47 ILE CG2 . 34507 1 235 . 1 . 1 22 22 ILE CD1 C 13 11.729 . . . . . . . A 47 ILE CD1 . 34507 1 236 . 1 . 1 23 23 THR H H 1 8.185 . . . . . . . A 48 THR H . 34507 1 237 . 1 . 1 23 23 THR HA H 1 3.845 . . . . . . . A 48 THR HA . 34507 1 238 . 1 . 1 23 23 THR HB H 1 4.551 . . . . . . . A 48 THR HB . 34507 1 239 . 1 . 1 23 23 THR HG1 H 1 5.674 . . . . . . . A 48 THR HG1 . 34507 1 240 . 1 . 1 23 23 THR HG21 H 1 1.244 . . . . . . . A 48 THR HG21 . 34507 1 241 . 1 . 1 23 23 THR HG22 H 1 1.244 . . . . . . . A 48 THR HG22 . 34507 1 242 . 1 . 1 23 23 THR HG23 H 1 1.244 . . . . . . . A 48 THR HG23 . 34507 1 243 . 1 . 1 23 23 THR CA C 13 67.273 . . . . . . . A 48 THR CA . 34507 1 244 . 1 . 1 23 23 THR CB C 13 68.019 . . . . . . . A 48 THR CB . 34507 1 245 . 1 . 1 23 23 THR CG2 C 13 19.364 . . . . . . . A 48 THR CG2 . 34507 1 246 . 1 . 1 24 24 LEU H H 1 8.499 . . . . . . . A 49 LEU H . 34507 1 247 . 1 . 1 24 24 LEU HA H 1 4.111 . . . . . . . A 49 LEU HA . 34507 1 248 . 1 . 1 24 24 LEU HB2 H 1 2.124 . . . . . . . A 49 LEU HB2 . 34507 1 249 . 1 . 1 24 24 LEU HB3 H 1 1.521 . . . . . . . A 49 LEU HB3 . 34507 1 250 . 1 . 1 24 24 LEU HG H 1 1.979 . . . . . . . A 49 LEU HG . 34507 1 251 . 1 . 1 24 24 LEU HD11 H 1 0.896 . . . . . . . A 49 LEU HD11 . 34507 1 252 . 1 . 1 24 24 LEU HD12 H 1 0.896 . . . . . . . A 49 LEU HD12 . 34507 1 253 . 1 . 1 24 24 LEU HD13 H 1 0.896 . . . . . . . A 49 LEU HD13 . 34507 1 254 . 1 . 1 24 24 LEU HD21 H 1 0.874 . . . . . . . A 49 LEU HD21 . 34507 1 255 . 1 . 1 24 24 LEU HD22 H 1 0.874 . . . . . . . A 49 LEU HD22 . 34507 1 256 . 1 . 1 24 24 LEU HD23 H 1 0.874 . . . . . . . A 49 LEU HD23 . 34507 1 257 . 1 . 1 24 24 LEU CA C 13 57.949 . . . . . . . A 49 LEU CA . 34507 1 258 . 1 . 1 24 24 LEU CB C 13 41.023 . . . . . . . A 49 LEU CB . 34507 1 259 . 1 . 1 24 24 LEU CG C 13 25.933 . . . . . . . A 49 LEU CG . 34507 1 260 . 1 . 1 24 24 LEU CD1 C 13 23.912 . . . . . . . A 49 LEU CD1 . 34507 1 261 . 1 . 1 24 24 LEU CD2 C 13 21.513 . . . . . . . A 49 LEU CD2 . 34507 1 262 . 1 . 1 25 25 VAL H H 1 8.629 . . . . . . . A 50 VAL H . 34507 1 263 . 1 . 1 25 25 VAL HA H 1 3.610 . . . . . . . A 50 VAL HA . 34507 1 264 . 1 . 1 25 25 VAL HB H 1 2.341 . . . . . . . A 50 VAL HB . 34507 1 265 . 1 . 1 25 25 VAL HG11 H 1 1.107 . . . . . . . A 50 VAL HG11 . 34507 1 266 . 1 . 1 25 25 VAL HG12 H 1 1.107 . . . . . . . A 50 VAL HG12 . 34507 1 267 . 1 . 1 25 25 VAL HG13 H 1 1.107 . . . . . . . A 50 VAL HG13 . 34507 1 268 . 1 . 1 25 25 VAL HG21 H 1 0.947 . . . . . . . A 50 VAL HG21 . 34507 1 269 . 1 . 1 25 25 VAL HG22 H 1 0.947 . . . . . . . A 50 VAL HG22 . 34507 1 270 . 1 . 1 25 25 VAL HG23 H 1 0.947 . . . . . . . A 50 VAL HG23 . 34507 1 271 . 1 . 1 25 25 VAL CA C 13 66.563 . . . . . . . A 50 VAL CA . 34507 1 272 . 1 . 1 25 25 VAL CB C 13 30.862 . . . . . . . A 50 VAL CB . 34507 1 273 . 1 . 1 25 25 VAL CG1 C 13 21.635 . . . . . . . A 50 VAL CG1 . 34507 1 274 . 1 . 1 25 25 VAL CG2 C 13 20.007 . . . . . . . A 50 VAL CG2 . 34507 1 275 . 1 . 1 26 26 MET H H 1 8.561 . . . . . . . A 51 MET H . 34507 1 276 . 1 . 1 26 26 MET HA H 1 4.204 . . . . . . . A 51 MET HA . 34507 1 277 . 1 . 1 26 26 MET HB2 H 1 2.434 . . . . . . . A 51 MET HB2 . 34507 1 278 . 1 . 1 26 26 MET HB3 H 1 2.109 . . . . . . . A 51 MET HB3 . 34507 1 279 . 1 . 1 26 26 MET HG2 H 1 2.805 . . . . . . . A 51 MET HG2 . 34507 1 280 . 1 . 1 26 26 MET HG3 H 1 2.671 . . . . . . . A 51 MET HG3 . 34507 1 281 . 1 . 1 26 26 MET HE1 H 1 2.071 . . . . . . . A 51 MET HE1 . 34507 1 282 . 1 . 1 26 26 MET HE2 H 1 2.071 . . . . . . . A 51 MET HE2 . 34507 1 283 . 1 . 1 26 26 MET HE3 H 1 2.071 . . . . . . . A 51 MET HE3 . 34507 1 284 . 1 . 1 26 26 MET CA C 13 58.038 . . . . . . . A 51 MET CA . 34507 1 285 . 1 . 1 26 26 MET CB C 13 31.000 . . . . . . . A 51 MET CB . 34507 1 286 . 1 . 1 26 26 MET CG C 13 31.937 . . . . . . . A 51 MET CG . 34507 1 287 . 1 . 1 26 26 MET CE C 13 15.459 . . . . . . . A 51 MET CE . 34507 1 288 . 1 . 1 27 27 LEU H H 1 8.543 . . . . . . . A 52 LEU H . 34507 1 289 . 1 . 1 27 27 LEU HA H 1 4.140 . . . . . . . A 52 LEU HA . 34507 1 290 . 1 . 1 27 27 LEU HB2 H 1 2.010 . . . . . . . A 52 LEU HB2 . 34507 1 291 . 1 . 1 27 27 LEU HB3 H 1 1.567 . . . . . . . A 52 LEU HB3 . 34507 1 292 . 1 . 1 27 27 LEU HG H 1 1.927 . . . . . . . A 52 LEU HG . 34507 1 293 . 1 . 1 27 27 LEU HD11 H 1 0.908 . . . . . . . A 52 LEU HD11 . 34507 1 294 . 1 . 1 27 27 LEU HD12 H 1 0.908 . . . . . . . A 52 LEU HD12 . 34507 1 295 . 1 . 1 27 27 LEU HD13 H 1 0.908 . . . . . . . A 52 LEU HD13 . 34507 1 296 . 1 . 1 27 27 LEU HD21 H 1 0.888 . . . . . . . A 52 LEU HD21 . 34507 1 297 . 1 . 1 27 27 LEU HD22 H 1 0.888 . . . . . . . A 52 LEU HD22 . 34507 1 298 . 1 . 1 27 27 LEU HD23 H 1 0.888 . . . . . . . A 52 LEU HD23 . 34507 1 299 . 1 . 1 27 27 LEU CA C 13 57.176 . . . . . . . A 52 LEU CA . 34507 1 300 . 1 . 1 27 27 LEU CB C 13 41.354 . . . . . . . A 52 LEU CB . 34507 1 301 . 1 . 1 27 27 LEU CG C 13 26.005 . . . . . . . A 52 LEU CG . 34507 1 302 . 1 . 1 27 27 LEU CD1 C 13 23.875 . . . . . . . A 52 LEU CD1 . 34507 1 303 . 1 . 1 27 27 LEU CD2 C 13 21.616 . . . . . . . A 52 LEU CD2 . 34507 1 304 . 1 . 1 28 28 LYS H H 1 8.202 . . . . . . . A 53 LYS H . 34507 1 305 . 1 . 1 28 28 LYS HA H 1 4.125 . . . . . . . A 53 LYS HA . 34507 1 306 . 1 . 1 28 28 LYS CA C 13 57.654 . . . . . . . A 53 LYS CA . 34507 1 307 . 1 . 1 29 29 LYS H H 1 8.246 . . . . . . . A 54 LYS H . 34507 1 308 . 1 . 1 29 29 LYS HA H 1 4.182 . . . . . . . A 54 LYS HA . 34507 1 309 . 1 . 1 29 29 LYS CA C 13 57.250 . . . . . . . A 54 LYS CA . 34507 1 310 . 1 . 1 30 30 LYS H H 1 8.006 . . . . . . . A 55 LYS H . 34507 1 311 . 1 . 1 30 30 LYS HA H 1 4.223 . . . . . . . A 55 LYS HA . 34507 1 312 . 1 . 1 30 30 LYS HB2 H 1 1.948 . . . . . . . A 55 LYS HB2 . 34507 1 313 . 1 . 1 30 30 LYS HG2 H 1 1.716 . . . . . . . A 55 LYS HG2 . 34507 1 314 . 1 . 1 30 30 LYS CA C 13 56.195 . . . . . . . A 55 LYS CA . 34507 1 315 . 1 . 1 30 30 LYS CB C 13 32.024 . . . . . . . A 55 LYS CB . 34507 1 316 . 1 . 1 30 30 LYS CG C 13 28.232 . . . . . . . A 55 LYS CG . 34507 1 stop_ save_