################################### # 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 51311 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name Sox2_HMG_free_shifts _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 51311 1 2 '2D 1H-13C HSQC' . . . 51311 1 3 '3D HNCACB' . . . 51311 1 4 '3D CBCA(CO)NH' . . . 51311 1 5 '3D HBHA(CO)NH' . . . 51311 1 6 '3D (H)CC(CO)NH TOCSY' . . . 51311 1 7 '3D H(CCCO)NH TOCSY' . . . 51311 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $software_1 . . 51311 1 2 $software_2 . . 51311 1 3 $software_3 . . 51311 1 4 $software_4 . . 51311 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 3 3 ASP H H 1 8.49 . . 1 . . . . . 3 ASP H . 51311 1 2 . 1 . 1 3 3 ASP N N 15 120.704 . . 1 . . . . . 3 ASP N . 51311 1 3 . 1 . 1 4 4 ARG H H 1 8.282 . . 1 . . . . . 4 ARG H . 51311 1 4 . 1 . 1 4 4 ARG N N 15 121.604 . . 1 . . . . . 4 ARG N . 51311 1 5 . 1 . 1 5 5 VAL H H 1 8.028 . . 1 . . . . . 5 VAL H . 51311 1 6 . 1 . 1 5 5 VAL HG11 H 1 0.875 . . 2 . . . . . 5 VAL MG1 . 51311 1 7 . 1 . 1 5 5 VAL HG12 H 1 0.875 . . 2 . . . . . 5 VAL MG1 . 51311 1 8 . 1 . 1 5 5 VAL HG13 H 1 0.875 . . 2 . . . . . 5 VAL MG1 . 51311 1 9 . 1 . 1 5 5 VAL HG21 H 1 0.835 . . 2 . . . . . 5 VAL MG2 . 51311 1 10 . 1 . 1 5 5 VAL HG22 H 1 0.835 . . 2 . . . . . 5 VAL MG2 . 51311 1 11 . 1 . 1 5 5 VAL HG23 H 1 0.835 . . 2 . . . . . 5 VAL MG2 . 51311 1 12 . 1 . 1 5 5 VAL CG1 C 13 20.864 . . 2 . . . . . 5 VAL CG1 . 51311 1 13 . 1 . 1 5 5 VAL CG2 C 13 21.134 . . 2 . . . . . 5 VAL CG2 . 51311 1 14 . 1 . 1 5 5 VAL N N 15 120.954 . . 1 . . . . . 5 VAL N . 51311 1 15 . 1 . 1 6 6 LYS H H 1 8.379 . . 1 . . . . . 6 LYS H . 51311 1 16 . 1 . 1 6 6 LYS N N 15 125.963 . . 1 . . . . . 6 LYS N . 51311 1 17 . 1 . 1 7 7 ARG H H 1 8.23 . . 1 . . . . . 7 ARG H . 51311 1 18 . 1 . 1 7 7 ARG N N 15 123.165 . . 1 . . . . . 7 ARG N . 51311 1 19 . 1 . 1 9 9 MET H H 1 8.32 . . 1 . . . . . 9 MET H . 51311 1 20 . 1 . 1 9 9 MET HE1 H 1 2.068 . . 5 1 . . . . 9 MET ME . 51311 1 21 . 1 . 1 9 9 MET HE2 H 1 2.068 . . 5 1 . . . . 9 MET ME . 51311 1 22 . 1 . 1 9 9 MET HE3 H 1 2.068 . . 5 1 . . . . 9 MET ME . 51311 1 23 . 1 . 1 9 9 MET CE C 13 16.807 . . 5 2 . . . . 9 MET CE . 51311 1 24 . 1 . 1 9 9 MET N N 15 120.776 . . 1 . . . . . 9 MET N . 51311 1 25 . 1 . 1 10 10 ASN H H 1 7.359 . . 1 . . . . . 10 ASN H . 51311 1 26 . 1 . 1 10 10 ASN N N 15 117.725 . . 1 . . . . . 10 ASN N . 51311 1 27 . 1 . 1 11 11 ALA H H 1 8.757 . . 1 . . . . . 11 ALA H . 51311 1 28 . 1 . 1 11 11 ALA HB1 H 1 1.647 . . 1 . . . . . 11 ALA MB . 51311 1 29 . 1 . 1 11 11 ALA HB2 H 1 1.647 . . 1 . . . . . 11 ALA MB . 51311 1 30 . 1 . 1 11 11 ALA HB3 H 1 1.647 . . 1 . . . . . 11 ALA MB . 51311 1 31 . 1 . 1 11 11 ALA CB C 13 19.611 . . 1 . . . . . 11 ALA CB . 51311 1 32 . 1 . 1 11 11 ALA N N 15 122.046 . . 1 . . . . . 11 ALA N . 51311 1 33 . 1 . 1 12 12 PHE H H 1 8.121 . . 1 . . . . . 12 PHE H . 51311 1 34 . 1 . 1 12 12 PHE N N 15 118.285 . . 1 . . . . . 12 PHE N . 51311 1 35 . 1 . 1 13 13 MET HE1 H 1 2.079 . . 5 1 . . . . 13 MET ME . 51311 1 36 . 1 . 1 13 13 MET HE2 H 1 2.079 . . 5 1 . . . . 13 MET ME . 51311 1 37 . 1 . 1 13 13 MET HE3 H 1 2.079 . . 5 1 . . . . 13 MET ME . 51311 1 38 . 1 . 1 13 13 MET CE C 13 17.276 . . 5 2 . . . . 13 MET CE . 51311 1 39 . 1 . 1 14 14 VAL HG11 H 1 0.794 . . 2 . . . . . 14 VAL MG1 . 51311 1 40 . 1 . 1 14 14 VAL HG12 H 1 0.794 . . 2 . . . . . 14 VAL MG1 . 51311 1 41 . 1 . 1 14 14 VAL HG13 H 1 0.794 . . 2 . . . . . 14 VAL MG1 . 51311 1 42 . 1 . 1 14 14 VAL HG21 H 1 0.835 . . 2 . . . . . 14 VAL MG2 . 51311 1 43 . 1 . 1 14 14 VAL HG22 H 1 0.835 . . 2 . . . . . 14 VAL MG2 . 51311 1 44 . 1 . 1 14 14 VAL HG23 H 1 0.835 . . 2 . . . . . 14 VAL MG2 . 51311 1 45 . 1 . 1 14 14 VAL CG1 C 13 22.448 . . 2 . . . . . 14 VAL CG1 . 51311 1 46 . 1 . 1 14 14 VAL CG2 C 13 23.724 . . 2 . . . . . 14 VAL CG2 . 51311 1 47 . 1 . 1 15 15 TRP H H 1 7.981 . . 1 . . . . . 15 TRP H . 51311 1 48 . 1 . 1 15 15 TRP N N 15 122.63 . . 1 . . . . . 15 TRP N . 51311 1 49 . 1 . 1 16 16 SER H H 1 8.652 . . 1 . . . . . 16 SER H . 51311 1 50 . 1 . 1 16 16 SER N N 15 113.525 . . 1 . . . . . 16 SER N . 51311 1 51 . 1 . 1 17 17 ARG H H 1 7.275 . . 1 . . . . . 17 ARG H . 51311 1 52 . 1 . 1 17 17 ARG N N 15 122.108 . . 1 . . . . . 17 ARG N . 51311 1 53 . 1 . 1 18 18 GLY H H 1 7.466 . . 1 . . . . . 18 GLY H . 51311 1 54 . 1 . 1 18 18 GLY N N 15 105.089 . . 1 . . . . . 18 GLY N . 51311 1 55 . 1 . 1 19 19 GLN H H 1 7.259 . . 1 . . . . . 19 GLN H . 51311 1 56 . 1 . 1 19 19 GLN N N 15 121.024 . . 1 . . . . . 19 GLN N . 51311 1 57 . 1 . 1 20 20 ARG H H 1 8.494 . . 1 . . . . . 20 ARG H . 51311 1 58 . 1 . 1 20 20 ARG N N 15 119.662 . . 1 . . . . . 20 ARG N . 51311 1 59 . 1 . 1 23 23 MET H H 1 8.207 . . 1 . . . . . 23 MET H . 51311 1 60 . 1 . 1 23 23 MET N N 15 118.196 . . 1 . . . . . 23 MET N . 51311 1 61 . 1 . 1 24 24 ALA H H 1 8.135 . . 1 . . . . . 24 ALA H . 51311 1 62 . 1 . 1 24 24 ALA HB1 H 1 1.374 . . 1 . . . . . 24 ALA MB . 51311 1 63 . 1 . 1 24 24 ALA HB2 H 1 1.374 . . 1 . . . . . 24 ALA MB . 51311 1 64 . 1 . 1 24 24 ALA HB3 H 1 1.374 . . 1 . . . . . 24 ALA MB . 51311 1 65 . 1 . 1 24 24 ALA CB C 13 18.243 . . 1 . . . . . 24 ALA CB . 51311 1 66 . 1 . 1 24 24 ALA N N 15 120.885 . . 1 . . . . . 24 ALA N . 51311 1 67 . 1 . 1 25 25 GLN H H 1 7.609 . . 1 . . . . . 25 GLN H . 51311 1 68 . 1 . 1 25 25 GLN N N 15 116.228 . . 1 . . . . . 25 GLN N . 51311 1 69 . 1 . 1 26 26 GLU H H 1 7.799 . . 1 . . . . . 26 GLU H . 51311 1 70 . 1 . 1 26 26 GLU N N 15 116.893 . . 1 . . . . . 26 GLU N . 51311 1 71 . 1 . 1 27 27 ASN H H 1 7.708 . . 1 . . . . . 27 ASN H . 51311 1 72 . 1 . 1 27 27 ASN N N 15 114.912 . . 1 . . . . . 27 ASN N . 51311 1 73 . 1 . 1 29 29 LYS H H 1 8.281 . . 1 . . . . . 29 LYS H . 51311 1 74 . 1 . 1 29 29 LYS N N 15 116.246 . . 1 . . . . . 29 LYS N . 51311 1 75 . 1 . 1 31 31 HIS H H 1 8.972 . . 1 . . . . . 31 HIS H . 51311 1 76 . 1 . 1 31 31 HIS N N 15 126.013 . . 1 . . . . . 31 HIS N . 51311 1 77 . 1 . 1 33 33 SER H H 1 7.002 . . 1 . . . . . 33 SER H . 51311 1 78 . 1 . 1 33 33 SER N N 15 117.421 . . 1 . . . . . 33 SER N . 51311 1 79 . 1 . 1 34 34 GLU H H 1 7.412 . . 5 3 . . . . 34 GLU H . 51311 1 80 . 1 . 1 34 34 GLU N N 15 124.489 . . 5 4 . . . . 34 GLU N . 51311 1 81 . 1 . 1 35 35 ILE H H 1 7.918 . . 1 . . . . . 35 ILE H . 51311 1 82 . 1 . 1 35 35 ILE HG21 H 1 0.917 . . 1 . . . . . 35 ILE MG . 51311 1 83 . 1 . 1 35 35 ILE HG22 H 1 0.917 . . 1 . . . . . 35 ILE MG . 51311 1 84 . 1 . 1 35 35 ILE HG23 H 1 0.917 . . 1 . . . . . 35 ILE MG . 51311 1 85 . 1 . 1 35 35 ILE HD11 H 1 0.801 . . 1 . . . . . 35 ILE MD . 51311 1 86 . 1 . 1 35 35 ILE HD12 H 1 0.801 . . 1 . . . . . 35 ILE MD . 51311 1 87 . 1 . 1 35 35 ILE HD13 H 1 0.801 . . 1 . . . . . 35 ILE MD . 51311 1 88 . 1 . 1 35 35 ILE CG2 C 13 17.265 . . 1 . . . . . 35 ILE CG2 . 51311 1 89 . 1 . 1 35 35 ILE CD1 C 13 12.705 . . 1 . . . . . 35 ILE CD1 . 51311 1 90 . 1 . 1 35 35 ILE N N 15 121.413 . . 1 . . . . . 35 ILE N . 51311 1 91 . 1 . 1 36 36 SER H H 1 8.423 . . 1 . . . . . 36 SER H . 51311 1 92 . 1 . 1 36 36 SER N N 15 114.167 . . 1 . . . . . 36 SER N . 51311 1 93 . 1 . 1 37 37 LYS H H 1 7.619 . . 1 . . . . . 37 LYS H . 51311 1 94 . 1 . 1 37 37 LYS N N 15 122.595 . . 1 . . . . . 37 LYS N . 51311 1 95 . 1 . 1 38 38 ARG H H 1 8.221 . . 1 . . . . . 38 ARG H . 51311 1 96 . 1 . 1 38 38 ARG N N 15 120.964 . . 1 . . . . . 38 ARG N . 51311 1 97 . 1 . 1 39 39 LEU H H 1 8.81 . . 1 . . . . . 39 LEU H . 51311 1 98 . 1 . 1 39 39 LEU HD11 H 1 0.578 . . 2 . . . . . 39 LEU MD1 . 51311 1 99 . 1 . 1 39 39 LEU HD12 H 1 0.578 . . 2 . . . . . 39 LEU MD1 . 51311 1 100 . 1 . 1 39 39 LEU HD13 H 1 0.578 . . 2 . . . . . 39 LEU MD1 . 51311 1 101 . 1 . 1 39 39 LEU HD21 H 1 0.679 . . 2 . . . . . 39 LEU MD2 . 51311 1 102 . 1 . 1 39 39 LEU HD22 H 1 0.679 . . 2 . . . . . 39 LEU MD2 . 51311 1 103 . 1 . 1 39 39 LEU HD23 H 1 0.679 . . 2 . . . . . 39 LEU MD2 . 51311 1 104 . 1 . 1 39 39 LEU CD1 C 13 24.033 . . 2 . . . . . 39 LEU CD1 . 51311 1 105 . 1 . 1 39 39 LEU CD2 C 13 26.787 . . 2 . . . . . 39 LEU CD2 . 51311 1 106 . 1 . 1 39 39 LEU N N 15 119.317 . . 1 . . . . . 39 LEU N . 51311 1 107 . 1 . 1 40 40 GLY H H 1 8.128 . . 1 . . . . . 40 GLY H . 51311 1 108 . 1 . 1 40 40 GLY N N 15 104.932 . . 1 . . . . . 40 GLY N . 51311 1 109 . 1 . 1 41 41 ALA H H 1 7.717 . . 1 . . . . . 41 ALA H . 51311 1 110 . 1 . 1 41 41 ALA HB1 H 1 1.546 . . 1 . . . . . 41 ALA MB . 51311 1 111 . 1 . 1 41 41 ALA HB2 H 1 1.546 . . 1 . . . . . 41 ALA MB . 51311 1 112 . 1 . 1 41 41 ALA HB3 H 1 1.546 . . 1 . . . . . 41 ALA MB . 51311 1 113 . 1 . 1 41 41 ALA CB C 13 18.585 . . 1 . . . . . 41 ALA CB . 51311 1 114 . 1 . 1 41 41 ALA N N 15 123.701 . . 1 . . . . . 41 ALA N . 51311 1 115 . 1 . 1 42 42 GLU H H 1 8.51 . . 1 . . . . . 42 GLU H . 51311 1 116 . 1 . 1 42 42 GLU N N 15 118.676 . . 1 . . . . . 42 GLU N . 51311 1 117 . 1 . 1 44 44 LYS H H 1 7.081 . . 1 . . . . . 44 LYS H . 51311 1 118 . 1 . 1 44 44 LYS N N 15 114.304 . . 1 . . . . . 44 LYS N . 51311 1 119 . 1 . 1 45 45 LEU H H 1 7.067 . . 1 . . . . . 45 LEU H . 51311 1 120 . 1 . 1 45 45 LEU HD11 H 1 0.851 . . 2 . . . . . 45 LEU MD1 . 51311 1 121 . 1 . 1 45 45 LEU HD12 H 1 0.851 . . 2 . . . . . 45 LEU MD1 . 51311 1 122 . 1 . 1 45 45 LEU HD13 H 1 0.851 . . 2 . . . . . 45 LEU MD1 . 51311 1 123 . 1 . 1 45 45 LEU HD21 H 1 0.883 . . 2 . . . . . 45 LEU MD2 . 51311 1 124 . 1 . 1 45 45 LEU HD22 H 1 0.883 . . 2 . . . . . 45 LEU MD2 . 51311 1 125 . 1 . 1 45 45 LEU HD23 H 1 0.883 . . 2 . . . . . 45 LEU MD2 . 51311 1 126 . 1 . 1 45 45 LEU CD1 C 13 22.447 . . 2 . . . . . 45 LEU CD1 . 51311 1 127 . 1 . 1 45 45 LEU CD2 C 13 25.33 . . 2 . . . . . 45 LEU CD2 . 51311 1 128 . 1 . 1 45 45 LEU N N 15 116.347 . . 1 . . . . . 45 LEU N . 51311 1 129 . 1 . 1 46 46 LEU H H 1 6.84 . . 1 . . . . . 46 LEU H . 51311 1 130 . 1 . 1 46 46 LEU HD11 H 1 0.582 . . 2 . . . . . 46 LEU MD1 . 51311 1 131 . 1 . 1 46 46 LEU HD12 H 1 0.582 . . 2 . . . . . 46 LEU MD1 . 51311 1 132 . 1 . 1 46 46 LEU HD13 H 1 0.582 . . 2 . . . . . 46 LEU MD1 . 51311 1 133 . 1 . 1 46 46 LEU HD21 H 1 0.383 . . 2 . . . . . 46 LEU MD2 . 51311 1 134 . 1 . 1 46 46 LEU HD22 H 1 0.383 . . 2 . . . . . 46 LEU MD2 . 51311 1 135 . 1 . 1 46 46 LEU HD23 H 1 0.383 . . 2 . . . . . 46 LEU MD2 . 51311 1 136 . 1 . 1 46 46 LEU CD1 C 13 23.466 . . 2 . . . . . 46 LEU CD1 . 51311 1 137 . 1 . 1 46 46 LEU CD2 C 13 25.287 . . 2 . . . . . 46 LEU CD2 . 51311 1 138 . 1 . 1 46 46 LEU N N 15 121.353 . . 1 . . . . . 46 LEU N . 51311 1 139 . 1 . 1 47 47 SER H H 1 8.954 . . 1 . . . . . 47 SER H . 51311 1 140 . 1 . 1 47 47 SER N N 15 120.004 . . 1 . . . . . 47 SER N . 51311 1 141 . 1 . 1 48 48 GLU H H 1 8.866 . . 1 . . . . . 48 GLU H . 51311 1 142 . 1 . 1 48 48 GLU N N 15 120.797 . . 1 . . . . . 48 GLU N . 51311 1 143 . 1 . 1 49 49 THR H H 1 7.965 . . 1 . . . . . 49 THR H . 51311 1 144 . 1 . 1 49 49 THR HG21 H 1 1.203 . . 1 . . . . . 49 THR MG . 51311 1 145 . 1 . 1 49 49 THR HG22 H 1 1.203 . . 1 . . . . . 49 THR MG . 51311 1 146 . 1 . 1 49 49 THR HG23 H 1 1.203 . . 1 . . . . . 49 THR MG . 51311 1 147 . 1 . 1 49 49 THR CG2 C 13 21.972 . . 1 . . . . . 49 THR CG2 . 51311 1 148 . 1 . 1 49 49 THR N N 15 113.135 . . 1 . . . . . 49 THR N . 51311 1 149 . 1 . 1 50 50 GLU H H 1 7.547 . . 1 . . . . . 50 GLU H . 51311 1 150 . 1 . 1 50 50 GLU N N 15 121.801 . . 1 . . . . . 50 GLU N . 51311 1 151 . 1 . 1 51 51 LYS H H 1 7.862 . . 5 5 . . . . 51 LYS H . 51311 1 152 . 1 . 1 51 51 LYS N N 15 115.775 . . 5 6 . . . . 51 LYS N . 51311 1 153 . 1 . 1 52 52 ARG H H 1 8.404 . . 1 . . . . . 52 ARG H . 51311 1 154 . 1 . 1 52 52 ARG N N 15 121.4 . . 1 . . . . . 52 ARG N . 51311 1 155 . 1 . 1 55 55 ILE H H 1 8.109 . . 1 . . . . . 55 ILE H . 51311 1 156 . 1 . 1 55 55 ILE HG21 H 1 1.03 . . 1 . . . . . 55 ILE MG . 51311 1 157 . 1 . 1 55 55 ILE HG22 H 1 1.03 . . 1 . . . . . 55 ILE MG . 51311 1 158 . 1 . 1 55 55 ILE HG23 H 1 1.03 . . 1 . . . . . 55 ILE MG . 51311 1 159 . 1 . 1 55 55 ILE HD11 H 1 0.925 . . 1 . . . . . 55 ILE MD . 51311 1 160 . 1 . 1 55 55 ILE HD12 H 1 0.925 . . 1 . . . . . 55 ILE MD . 51311 1 161 . 1 . 1 55 55 ILE HD13 H 1 0.925 . . 1 . . . . . 55 ILE MD . 51311 1 162 . 1 . 1 55 55 ILE CG2 C 13 17.082 . . 1 . . . . . 55 ILE CG2 . 51311 1 163 . 1 . 1 55 55 ILE CD1 C 13 13.712 . . 1 . . . . . 55 ILE CD1 . 51311 1 164 . 1 . 1 55 55 ILE N N 15 123.116 . . 1 . . . . . 55 ILE N . 51311 1 165 . 1 . 1 58 58 ALA H H 1 8.349 . . 1 . . . . . 58 ALA H . 51311 1 166 . 1 . 1 58 58 ALA HB1 H 1 1.44 . . 1 . . . . . 58 ALA MB . 51311 1 167 . 1 . 1 58 58 ALA HB2 H 1 1.44 . . 1 . . . . . 58 ALA MB . 51311 1 168 . 1 . 1 58 58 ALA HB3 H 1 1.44 . . 1 . . . . . 58 ALA MB . 51311 1 169 . 1 . 1 58 58 ALA CB C 13 17.303 . . 1 . . . . . 58 ALA CB . 51311 1 170 . 1 . 1 58 58 ALA N N 15 121.357 . . 1 . . . . . 58 ALA N . 51311 1 171 . 1 . 1 59 59 LYS H H 1 8.008 . . 1 . . . . . 59 LYS H . 51311 1 172 . 1 . 1 59 59 LYS N N 15 118.557 . . 1 . . . . . 59 LYS N . 51311 1 173 . 1 . 1 60 60 ARG H H 1 7.952 . . 1 . . . . . 60 ARG H . 51311 1 174 . 1 . 1 60 60 ARG N N 15 122.402 . . 1 . . . . . 60 ARG N . 51311 1 175 . 1 . 1 61 61 LEU H H 1 8.483 . . 1 . . . . . 61 LEU H . 51311 1 176 . 1 . 1 61 61 LEU HD11 H 1 0.915 . . 2 . . . . . 61 LEU MD1 . 51311 1 177 . 1 . 1 61 61 LEU HD12 H 1 0.915 . . 2 . . . . . 61 LEU MD1 . 51311 1 178 . 1 . 1 61 61 LEU HD13 H 1 0.915 . . 2 . . . . . 61 LEU MD1 . 51311 1 179 . 1 . 1 61 61 LEU CD1 C 13 26.091 . . 2 . . . . . 61 LEU CD1 . 51311 1 180 . 1 . 1 61 61 LEU N N 15 119.258 . . 1 . . . . . 61 LEU N . 51311 1 181 . 1 . 1 62 62 ARG H H 1 8.226 . . 1 . . . . . 62 ARG H . 51311 1 182 . 1 . 1 62 62 ARG N N 15 120.455 . . 1 . . . . . 62 ARG N . 51311 1 183 . 1 . 1 63 63 ALA H H 1 7.726 . . 1 . . . . . 63 ALA H . 51311 1 184 . 1 . 1 63 63 ALA HB1 H 1 1.479 . . 1 . . . . . 63 ALA MB . 51311 1 185 . 1 . 1 63 63 ALA HB2 H 1 1.479 . . 1 . . . . . 63 ALA MB . 51311 1 186 . 1 . 1 63 63 ALA HB3 H 1 1.479 . . 1 . . . . . 63 ALA MB . 51311 1 187 . 1 . 1 63 63 ALA CB C 13 18.11 . . 1 . . . . . 63 ALA CB . 51311 1 188 . 1 . 1 63 63 ALA N N 15 121.241 . . 1 . . . . . 63 ALA N . 51311 1 189 . 1 . 1 64 64 LEU H H 1 7.685 . . 1 . . . . . 64 LEU H . 51311 1 190 . 1 . 1 64 64 LEU HD11 H 1 1.222 . . 2 . . . . . 64 LEU MD1 . 51311 1 191 . 1 . 1 64 64 LEU HD12 H 1 1.222 . . 2 . . . . . 64 LEU MD1 . 51311 1 192 . 1 . 1 64 64 LEU HD13 H 1 1.222 . . 2 . . . . . 64 LEU MD1 . 51311 1 193 . 1 . 1 64 64 LEU HD21 H 1 0.888 . . 2 . . . . . 64 LEU MD2 . 51311 1 194 . 1 . 1 64 64 LEU HD22 H 1 0.888 . . 2 . . . . . 64 LEU MD2 . 51311 1 195 . 1 . 1 64 64 LEU HD23 H 1 0.888 . . 2 . . . . . 64 LEU MD2 . 51311 1 196 . 1 . 1 64 64 LEU CD1 C 13 22.416 . . 2 . . . . . 64 LEU CD1 . 51311 1 197 . 1 . 1 64 64 LEU CD2 C 13 24.91 . . 2 . . . . . 64 LEU CD2 . 51311 1 198 . 1 . 1 64 64 LEU N N 15 119.006 . . 1 . . . . . 64 LEU N . 51311 1 199 . 1 . 1 65 65 HIS H H 1 8.015 . . 1 . . . . . 65 HIS H . 51311 1 200 . 1 . 1 65 65 HIS N N 15 119.055 . . 1 . . . . . 65 HIS N . 51311 1 201 . 1 . 1 66 66 MET H H 1 7.989 . . 5 7 . . . . 66 MET H . 51311 1 202 . 1 . 1 66 66 MET N N 15 118.041 . . 5 8 . . . . 66 MET N . 51311 1 203 . 1 . 1 67 67 LYS H H 1 8.069 . . 1 . . . . . 67 LYS H . 51311 1 204 . 1 . 1 67 67 LYS N N 15 120.865 . . 1 . . . . . 67 LYS N . 51311 1 205 . 1 . 1 68 68 GLU H H 1 7.919 . . 1 . . . . . 68 GLU H . 51311 1 206 . 1 . 1 68 68 GLU N N 15 118.919 . . 1 . . . . . 68 GLU N . 51311 1 207 . 1 . 1 71 71 ASP H H 1 9.026 . . 1 . . . . . 71 ASP H . 51311 1 208 . 1 . 1 71 71 ASP N N 15 119.684 . . 1 . . . . . 71 ASP N . 51311 1 209 . 1 . 1 72 72 TYR H H 1 8.031 . . 1 . . . . . 72 TYR H . 51311 1 210 . 1 . 1 72 72 TYR N N 15 121.192 . . 1 . . . . . 72 TYR N . 51311 1 211 . 1 . 1 73 73 LYS H H 1 7.913 . . 1 . . . . . 73 LYS H . 51311 1 212 . 1 . 1 73 73 LYS N N 15 122.222 . . 1 . . . . . 73 LYS N . 51311 1 213 . 1 . 1 74 74 TYR H H 1 7.896 . . 1 . . . . . 74 TYR H . 51311 1 214 . 1 . 1 74 74 TYR N N 15 120.447 . . 1 . . . . . 74 TYR N . 51311 1 215 . 1 . 1 75 75 ARG H H 1 7.854 . . 1 . . . . . 75 ARG H . 51311 1 216 . 1 . 1 75 75 ARG N N 15 124.813 . . 1 . . . . . 75 ARG N . 51311 1 217 . 1 . 1 80 80 THR HG21 H 1 1.166 . . 1 . . . . . 80 THR MG . 51311 1 218 . 1 . 1 80 80 THR HG22 H 1 1.166 . . 1 . . . . . 80 THR MG . 51311 1 219 . 1 . 1 80 80 THR HG23 H 1 1.166 . . 1 . . . . . 80 THR MG . 51311 1 220 . 1 . 1 80 80 THR CG2 C 13 21.733 . . 1 . . . . . 80 THR CG2 . 51311 1 221 . 1 . 1 82 82 THR H H 1 7.809 . . 1 . . . . . 82 THR H . 51311 1 222 . 1 . 1 82 82 THR HG21 H 1 1.122 . . 1 . . . . . 82 THR MG . 51311 1 223 . 1 . 1 82 82 THR HG22 H 1 1.122 . . 1 . . . . . 82 THR MG . 51311 1 224 . 1 . 1 82 82 THR HG23 H 1 1.122 . . 1 . . . . . 82 THR MG . 51311 1 225 . 1 . 1 82 82 THR CG2 C 13 22.057 . . 1 . . . . . 82 THR CG2 . 51311 1 226 . 1 . 1 82 82 THR N N 15 121.132 . . 1 . . . . . 82 THR N . 51311 1 stop_ save_