################################### # 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 51313 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name Sox2_HMG_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' . . . 51313 1 2 '2D 1H-13C HSQC' . . . 51313 1 3 '3D HNCACB' . . . 51313 1 4 '3D CBCA(CO)NH' . . . 51313 1 5 '3D HBHA(CO)NH' . . . 51313 1 6 '3D (H)CC(CO)NH TOCSY' . . . 51313 1 7 '3D H(CCCO)NH TOCSY' . . . 51313 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 . . 51313 1 2 $software_2 . . 51313 1 3 $software_3 . . 51313 1 4 $software_4 . . 51313 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 8.499 . . 1 . . . . . 3 ASP H . 51313 1 2 . 1 . 1 3 3 ASP N N 15 120.571 . . 1 . . . . . 3 ASP N . 51313 1 3 . 1 . 1 4 4 ARG H H 1 8.067 . . 1 . . . . . 4 ARG H . 51313 1 4 . 1 . 1 4 4 ARG N N 15 121.155 . . 1 . . . . . 4 ARG N . 51313 1 5 . 1 . 1 5 5 VAL H H 1 8.373 . . 1 . . . . . 5 VAL H . 51313 1 6 . 1 . 1 5 5 VAL HG11 H 1 0.504 . . 2 . . . . . 5 VAL MG1 . 51313 1 7 . 1 . 1 5 5 VAL HG12 H 1 0.504 . . 2 . . . . . 5 VAL MG1 . 51313 1 8 . 1 . 1 5 5 VAL HG13 H 1 0.504 . . 2 . . . . . 5 VAL MG1 . 51313 1 9 . 1 . 1 5 5 VAL HG21 H 1 0.666 . . 2 . . . . . 5 VAL MG2 . 51313 1 10 . 1 . 1 5 5 VAL HG22 H 1 0.666 . . 2 . . . . . 5 VAL MG2 . 51313 1 11 . 1 . 1 5 5 VAL HG23 H 1 0.666 . . 2 . . . . . 5 VAL MG2 . 51313 1 12 . 1 . 1 5 5 VAL CG1 C 13 21.005 . . 2 . . . . . 5 VAL CG1 . 51313 1 13 . 1 . 1 5 5 VAL CG2 C 13 21.03 . . 2 . . . . . 5 VAL CG2 . 51313 1 14 . 1 . 1 5 5 VAL N N 15 124.468 . . 1 . . . . . 5 VAL N . 51313 1 15 . 1 . 1 6 6 LYS H H 1 8.473 . . 1 . . . . . 6 LYS H . 51313 1 16 . 1 . 1 6 6 LYS N N 15 127.918 . . 1 . . . . . 6 LYS N . 51313 1 17 . 1 . 1 9 9 MET H H 1 8.241 . . 1 . . . . . 9 MET H . 51313 1 18 . 1 . 1 9 9 MET HE1 H 1 2.129 . . 1 . . . . . 9 MET ME . 51313 1 19 . 1 . 1 9 9 MET HE2 H 1 2.129 . . 1 . . . . . 9 MET ME . 51313 1 20 . 1 . 1 9 9 MET HE3 H 1 2.129 . . 1 . . . . . 9 MET ME . 51313 1 21 . 1 . 1 9 9 MET CE C 13 16.706 . . 1 . . . . . 9 MET CE . 51313 1 22 . 1 . 1 9 9 MET N N 15 121.906 . . 1 . . . . . 9 MET N . 51313 1 23 . 1 . 1 10 10 ASN H H 1 8.311 . . 1 . . . . . 10 ASN H . 51313 1 24 . 1 . 1 10 10 ASN N N 15 119.031 . . 1 . . . . . 10 ASN N . 51313 1 25 . 1 . 1 11 11 ALA H H 1 8.928 . . 1 . . . . . 11 ALA H . 51313 1 26 . 1 . 1 11 11 ALA HB1 H 1 1.488 . . 1 . . . . . 11 ALA MB . 51313 1 27 . 1 . 1 11 11 ALA HB2 H 1 1.488 . . 1 . . . . . 11 ALA MB . 51313 1 28 . 1 . 1 11 11 ALA HB3 H 1 1.488 . . 1 . . . . . 11 ALA MB . 51313 1 29 . 1 . 1 11 11 ALA CB C 13 20.555 . . 1 . . . . . 11 ALA CB . 51313 1 30 . 1 . 1 11 11 ALA N N 15 118.147 . . 1 . . . . . 11 ALA N . 51313 1 31 . 1 . 1 12 12 PHE H H 1 6.975 . . 1 . . . . . 12 PHE H . 51313 1 32 . 1 . 1 12 12 PHE N N 15 113.87 . . 1 . . . . . 12 PHE N . 51313 1 33 . 1 . 1 13 13 MET H H 1 7.761 . . 1 . . . . . 13 MET H . 51313 1 34 . 1 . 1 13 13 MET HE1 H 1 -0.142 . . 1 . . . . . 13 MET ME . 51313 1 35 . 1 . 1 13 13 MET HE2 H 1 -0.142 . . 1 . . . . . 13 MET ME . 51313 1 36 . 1 . 1 13 13 MET HE3 H 1 -0.142 . . 1 . . . . . 13 MET ME . 51313 1 37 . 1 . 1 13 13 MET CE C 13 14.958 . . 1 . . . . . 13 MET CE . 51313 1 38 . 1 . 1 13 13 MET N N 15 121.867 . . 1 . . . . . 13 MET N . 51313 1 39 . 1 . 1 14 14 VAL H H 1 8.44 . . 1 . . . . . 14 VAL H . 51313 1 40 . 1 . 1 14 14 VAL HG11 H 1 0.761 . . 2 . . . . . 14 VAL MG1 . 51313 1 41 . 1 . 1 14 14 VAL HG12 H 1 0.761 . . 2 . . . . . 14 VAL MG1 . 51313 1 42 . 1 . 1 14 14 VAL HG13 H 1 0.761 . . 2 . . . . . 14 VAL MG1 . 51313 1 43 . 1 . 1 14 14 VAL HG21 H 1 0.889 . . 2 . . . . . 14 VAL MG2 . 51313 1 44 . 1 . 1 14 14 VAL HG22 H 1 0.889 . . 2 . . . . . 14 VAL MG2 . 51313 1 45 . 1 . 1 14 14 VAL HG23 H 1 0.889 . . 2 . . . . . 14 VAL MG2 . 51313 1 46 . 1 . 1 14 14 VAL CG1 C 13 22.402 . . 2 . . . . . 14 VAL CG1 . 51313 1 47 . 1 . 1 14 14 VAL CG2 C 13 23.549 . . 2 . . . . . 14 VAL CG2 . 51313 1 48 . 1 . 1 14 14 VAL N N 15 119.85 . . 1 . . . . . 14 VAL N . 51313 1 49 . 1 . 1 15 15 TRP H H 1 7.703 . . 1 . . . . . 15 TRP H . 51313 1 50 . 1 . 1 15 15 TRP N N 15 120.925 . . 1 . . . . . 15 TRP N . 51313 1 51 . 1 . 1 16 16 SER H H 1 8.462 . . 1 . . . . . 16 SER H . 51313 1 52 . 1 . 1 16 16 SER N N 15 113.173 . . 1 . . . . . 16 SER N . 51313 1 53 . 1 . 1 17 17 ARG H H 1 7.149 . . 1 . . . . . 17 ARG H . 51313 1 54 . 1 . 1 17 17 ARG N N 15 122.193 . . 1 . . . . . 17 ARG N . 51313 1 55 . 1 . 1 18 18 GLY H H 1 7.333 . . 1 . . . . . 18 GLY H . 51313 1 56 . 1 . 1 18 18 GLY N N 15 124.137 . . 1 . . . . . 18 GLY N . 51313 1 57 . 1 . 1 19 19 GLN H H 1 6.727 . . 1 . . . . . 19 GLN H . 51313 1 58 . 1 . 1 19 19 GLN N N 15 120.19 . . 1 . . . . . 19 GLN N . 51313 1 59 . 1 . 1 20 20 ARG H H 1 8.762 . . 1 . . . . . 20 ARG H . 51313 1 60 . 1 . 1 20 20 ARG N N 15 121.235 . . 1 . . . . . 20 ARG N . 51313 1 61 . 1 . 1 21 21 ARG H H 1 6.811 . . 1 . . . . . 21 ARG H . 51313 1 62 . 1 . 1 21 21 ARG N N 15 116.587 . . 1 . . . . . 21 ARG N . 51313 1 63 . 1 . 1 22 22 LYS H H 1 7.048 . . 1 . . . . . 22 LYS H . 51313 1 64 . 1 . 1 22 22 LYS N N 15 118.732 . . 1 . . . . . 22 LYS N . 51313 1 65 . 1 . 1 23 23 MET H H 1 8.076 . . 1 . . . . . 23 MET H . 51313 1 66 . 1 . 1 23 23 MET N N 15 118.412 . . 1 . . . . . 23 MET N . 51313 1 67 . 1 . 1 24 24 ALA H H 1 8.516 . . 1 . . . . . 24 ALA H . 51313 1 68 . 1 . 1 24 24 ALA HB1 H 1 1.297 . . 1 . . . . . 24 ALA MB . 51313 1 69 . 1 . 1 24 24 ALA HB2 H 1 1.297 . . 1 . . . . . 24 ALA MB . 51313 1 70 . 1 . 1 24 24 ALA HB3 H 1 1.297 . . 1 . . . . . 24 ALA MB . 51313 1 71 . 1 . 1 24 24 ALA CB C 13 18.478 . . 1 . . . . . 24 ALA CB . 51313 1 72 . 1 . 1 24 24 ALA N N 15 121.689 . . 1 . . . . . 24 ALA N . 51313 1 73 . 1 . 1 25 25 GLN H H 1 7.578 . . 1 . . . . . 25 GLN H . 51313 1 74 . 1 . 1 25 25 GLN N N 15 116.166 . . 1 . . . . . 25 GLN N . 51313 1 75 . 1 . 1 26 26 GLU H H 1 7.516 . . 1 . . . . . 26 GLU H . 51313 1 76 . 1 . 1 26 26 GLU N N 15 116.308 . . 1 . . . . . 26 GLU N . 51313 1 77 . 1 . 1 27 27 ASN H H 1 7.574 . . 1 . . . . . 27 ASN H . 51313 1 78 . 1 . 1 27 27 ASN N N 15 115.356 . . 1 . . . . . 27 ASN N . 51313 1 79 . 1 . 1 29 29 LYS H H 1 8.307 . . 1 . . . . . 29 LYS H . 51313 1 80 . 1 . 1 29 29 LYS N N 15 115.46 . . 1 . . . . . 29 LYS N . 51313 1 81 . 1 . 1 30 30 MET H H 1 7.596 . . 1 . . . . . 30 MET H . 51313 1 82 . 1 . 1 30 30 MET N N 15 121.632 . . 1 . . . . . 30 MET N . 51313 1 83 . 1 . 1 31 31 HIS H H 1 9.13 . . 1 . . . . . 31 HIS H . 51313 1 84 . 1 . 1 31 31 HIS N N 15 126.089 . . 1 . . . . . 31 HIS N . 51313 1 85 . 1 . 1 34 34 GLU H H 1 6.678 . . 1 . . . . . 34 GLU H . 51313 1 86 . 1 . 1 34 34 GLU N N 15 123.965 . . 1 . . . . . 34 GLU N . 51313 1 87 . 1 . 1 35 35 ILE HG21 H 1 0.902 . . 1 . . . . . 35 ILE MG . 51313 1 88 . 1 . 1 35 35 ILE HG22 H 1 0.902 . . 1 . . . . . 35 ILE MG . 51313 1 89 . 1 . 1 35 35 ILE HG23 H 1 0.902 . . 1 . . . . . 35 ILE MG . 51313 1 90 . 1 . 1 35 35 ILE HD11 H 1 0.673 . . 1 . . . . . 35 ILE MD . 51313 1 91 . 1 . 1 35 35 ILE HD12 H 1 0.673 . . 1 . . . . . 35 ILE MD . 51313 1 92 . 1 . 1 35 35 ILE HD13 H 1 0.673 . . 1 . . . . . 35 ILE MD . 51313 1 93 . 1 . 1 35 35 ILE CG2 C 13 17.793 . . 1 . . . . . 35 ILE CG2 . 51313 1 94 . 1 . 1 35 35 ILE CD1 C 13 12.035 . . 1 . . . . . 35 ILE CD1 . 51313 1 95 . 1 . 1 36 36 SER H H 1 8.522 . . 1 . . . . . 36 SER H . 51313 1 96 . 1 . 1 36 36 SER N N 15 115.218 . . 1 . . . . . 36 SER N . 51313 1 97 . 1 . 1 37 37 LYS H H 1 7.349 . . 1 . . . . . 37 LYS H . 51313 1 98 . 1 . 1 37 37 LYS N N 15 119.153 . . 1 . . . . . 37 LYS N . 51313 1 99 . 1 . 1 39 39 LEU H H 1 9.048 . . 1 . . . . . 39 LEU H . 51313 1 100 . 1 . 1 39 39 LEU HD11 H 1 0.471 . . 2 . . . . . 39 LEU MD1 . 51313 1 101 . 1 . 1 39 39 LEU HD12 H 1 0.471 . . 2 . . . . . 39 LEU MD1 . 51313 1 102 . 1 . 1 39 39 LEU HD13 H 1 0.471 . . 2 . . . . . 39 LEU MD1 . 51313 1 103 . 1 . 1 39 39 LEU HD21 H 1 23.679 . . 2 . . . . . 39 LEU MD2 . 51313 1 104 . 1 . 1 39 39 LEU HD22 H 1 23.679 . . 2 . . . . . 39 LEU MD2 . 51313 1 105 . 1 . 1 39 39 LEU HD23 H 1 23.679 . . 2 . . . . . 39 LEU MD2 . 51313 1 106 . 1 . 1 39 39 LEU CD1 C 13 0.438 . . 2 . . . . . 39 LEU CD1 . 51313 1 107 . 1 . 1 39 39 LEU CD2 C 13 26.898 . . 2 . . . . . 39 LEU CD2 . 51313 1 108 . 1 . 1 39 39 LEU N N 15 119.302 . . 1 . . . . . 39 LEU N . 51313 1 109 . 1 . 1 40 40 GLY H H 1 8.723 . . 1 . . . . . 40 GLY H . 51313 1 110 . 1 . 1 40 40 GLY N N 15 126.425 . . 1 . . . . . 40 GLY N . 51313 1 111 . 1 . 1 41 41 ALA H H 1 7.177 . . 1 . . . . . 41 ALA H . 51313 1 112 . 1 . 1 41 41 ALA HB1 H 1 1.474 . . 1 . . . . . 41 ALA MB . 51313 1 113 . 1 . 1 41 41 ALA HB2 H 1 1.474 . . 1 . . . . . 41 ALA MB . 51313 1 114 . 1 . 1 41 41 ALA HB3 H 1 1.474 . . 1 . . . . . 41 ALA MB . 51313 1 115 . 1 . 1 41 41 ALA CB C 13 18.215 . . 1 . . . . . 41 ALA CB . 51313 1 116 . 1 . 1 41 41 ALA N N 15 121.242 . . 1 . . . . . 41 ALA N . 51313 1 117 . 1 . 1 42 42 GLU H H 1 8.141 . . 1 . . . . . 42 GLU H . 51313 1 118 . 1 . 1 42 42 GLU N N 15 118.163 . . 1 . . . . . 42 GLU N . 51313 1 119 . 1 . 1 43 43 TRP H H 1 8.809 . . 1 . . . . . 43 TRP H . 51313 1 120 . 1 . 1 43 43 TRP N N 15 121.661 . . 1 . . . . . 43 TRP N . 51313 1 121 . 1 . 1 44 44 LYS H H 1 7.195 . . 1 . . . . . 44 LYS H . 51313 1 122 . 1 . 1 44 44 LYS N N 15 114.152 . . 1 . . . . . 44 LYS N . 51313 1 123 . 1 . 1 45 45 LEU H H 1 7.088 . . 1 . . . . . 45 LEU H . 51313 1 124 . 1 . 1 45 45 LEU HD11 H 1 0.817 . . 2 . . . . . 45 LEU MD1 . 51313 1 125 . 1 . 1 45 45 LEU HD12 H 1 0.817 . . 2 . . . . . 45 LEU MD1 . 51313 1 126 . 1 . 1 45 45 LEU HD13 H 1 0.817 . . 2 . . . . . 45 LEU MD1 . 51313 1 127 . 1 . 1 45 45 LEU HD21 H 1 0.83 . . 2 . . . . . 45 LEU MD2 . 51313 1 128 . 1 . 1 45 45 LEU HD22 H 1 0.83 . . 2 . . . . . 45 LEU MD2 . 51313 1 129 . 1 . 1 45 45 LEU HD23 H 1 0.83 . . 2 . . . . . 45 LEU MD2 . 51313 1 130 . 1 . 1 45 45 LEU CD1 C 13 22.165 . . 2 . . . . . 45 LEU CD1 . 51313 1 131 . 1 . 1 45 45 LEU CD2 C 13 25.372 . . 2 . . . . . 45 LEU CD2 . 51313 1 132 . 1 . 1 45 45 LEU N N 15 116.939 . . 1 . . . . . 45 LEU N . 51313 1 133 . 1 . 1 46 46 LEU H H 1 6.912 . . 1 . . . . . 46 LEU H . 51313 1 134 . 1 . 1 46 46 LEU HD11 H 1 0.545 . . 2 . . . . . 46 LEU MD1 . 51313 1 135 . 1 . 1 46 46 LEU HD12 H 1 0.545 . . 2 . . . . . 46 LEU MD1 . 51313 1 136 . 1 . 1 46 46 LEU HD13 H 1 0.545 . . 2 . . . . . 46 LEU MD1 . 51313 1 137 . 1 . 1 46 46 LEU HD21 H 1 0.164 . . 2 . . . . . 46 LEU MD2 . 51313 1 138 . 1 . 1 46 46 LEU HD22 H 1 0.164 . . 2 . . . . . 46 LEU MD2 . 51313 1 139 . 1 . 1 46 46 LEU HD23 H 1 0.164 . . 2 . . . . . 46 LEU MD2 . 51313 1 140 . 1 . 1 46 46 LEU CD1 C 13 22.788 . . 2 . . . . . 46 LEU CD1 . 51313 1 141 . 1 . 1 46 46 LEU CD2 C 13 25.365 . . 2 . . . . . 46 LEU CD2 . 51313 1 142 . 1 . 1 46 46 LEU N N 15 121.529 . . 1 . . . . . 46 LEU N . 51313 1 143 . 1 . 1 47 47 SER H H 1 8.887 . . 1 . . . . . 47 SER H . 51313 1 144 . 1 . 1 47 47 SER N N 15 119.195 . . 1 . . . . . 47 SER N . 51313 1 145 . 1 . 1 48 48 GLU H H 1 8.862 . . 1 . . . . . 48 GLU H . 51313 1 146 . 1 . 1 48 48 GLU N N 15 120.929 . . 1 . . . . . 48 GLU N . 51313 1 147 . 1 . 1 49 49 THR H H 1 7.887 . . 1 . . . . . 49 THR H . 51313 1 148 . 1 . 1 49 49 THR HG21 H 1 1.175 . . 1 . . . . . 49 THR MG . 51313 1 149 . 1 . 1 49 49 THR HG22 H 1 1.175 . . 1 . . . . . 49 THR MG . 51313 1 150 . 1 . 1 49 49 THR HG23 H 1 1.175 . . 1 . . . . . 49 THR MG . 51313 1 151 . 1 . 1 49 49 THR CG2 C 13 21.957 . . 1 . . . . . 49 THR CG2 . 51313 1 152 . 1 . 1 49 49 THR N N 15 112.671 . . 1 . . . . . 49 THR N . 51313 1 153 . 1 . 1 50 50 GLU H H 1 7.452 . . 1 . . . . . 50 GLU H . 51313 1 154 . 1 . 1 50 50 GLU N N 15 121.48 . . 1 . . . . . 50 GLU N . 51313 1 155 . 1 . 1 51 51 LYS H H 1 7.757 . . 1 . . . . . 51 LYS H . 51313 1 156 . 1 . 1 51 51 LYS N N 15 115.474 . . 1 . . . . . 51 LYS N . 51313 1 157 . 1 . 1 52 52 ARG H H 1 7.489 . . 1 . . . . . 52 ARG H . 51313 1 158 . 1 . 1 52 52 ARG N N 15 119.672 . . 1 . . . . . 52 ARG N . 51313 1 159 . 1 . 1 54 54 PHE H H 1 7.339 . . 1 . . . . . 54 PHE H . 51313 1 160 . 1 . 1 54 54 PHE N N 15 117.927 . . 1 . . . . . 54 PHE N . 51313 1 161 . 1 . 1 55 55 ILE HG21 H 1 0.994 . . 1 . . . . . 55 ILE MG . 51313 1 162 . 1 . 1 55 55 ILE HG22 H 1 0.994 . . 1 . . . . . 55 ILE MG . 51313 1 163 . 1 . 1 55 55 ILE HG23 H 1 0.994 . . 1 . . . . . 55 ILE MG . 51313 1 164 . 1 . 1 55 55 ILE HD11 H 1 0.881 . . 1 . . . . . 55 ILE MD . 51313 1 165 . 1 . 1 55 55 ILE HD12 H 1 0.881 . . 1 . . . . . 55 ILE MD . 51313 1 166 . 1 . 1 55 55 ILE HD13 H 1 0.881 . . 1 . . . . . 55 ILE MD . 51313 1 167 . 1 . 1 55 55 ILE CG2 C 13 16.931 . . 1 . . . . . 55 ILE CG2 . 51313 1 168 . 1 . 1 55 55 ILE CD1 C 13 13.422 . . 1 . . . . . 55 ILE CD1 . 51313 1 169 . 1 . 1 56 56 ASP H H 1 8.846 . . 1 . . . . . 56 ASP H . 51313 1 170 . 1 . 1 56 56 ASP N N 15 121.064 . . 1 . . . . . 56 ASP N . 51313 1 171 . 1 . 1 57 57 GLU H H 1 7.925 . . 1 . . . . . 57 GLU H . 51313 1 172 . 1 . 1 57 57 GLU N N 15 123.157 . . 1 . . . . . 57 GLU N . 51313 1 173 . 1 . 1 58 58 ALA H H 1 8.328 . . 1 . . . . . 58 ALA H . 51313 1 174 . 1 . 1 58 58 ALA HB1 H 1 1.502 . . 1 . . . . . 58 ALA MB . 51313 1 175 . 1 . 1 58 58 ALA HB2 H 1 1.502 . . 1 . . . . . 58 ALA MB . 51313 1 176 . 1 . 1 58 58 ALA HB3 H 1 1.502 . . 1 . . . . . 58 ALA MB . 51313 1 177 . 1 . 1 58 58 ALA CB C 13 17.718 . . 1 . . . . . 58 ALA CB . 51313 1 178 . 1 . 1 58 58 ALA N N 15 121.671 . . 1 . . . . . 58 ALA N . 51313 1 179 . 1 . 1 59 59 LYS H H 1 8.111 . . 1 . . . . . 59 LYS H . 51313 1 180 . 1 . 1 59 59 LYS N N 15 120.156 . . 1 . . . . . 59 LYS N . 51313 1 181 . 1 . 1 60 60 ARG H H 1 8.06 . . 1 . . . . . 60 ARG H . 51313 1 182 . 1 . 1 60 60 ARG N N 15 123.53 . . 1 . . . . . 60 ARG N . 51313 1 183 . 1 . 1 61 61 LEU H H 1 8.692 . . 1 . . . . . 61 LEU H . 51313 1 184 . 1 . 1 61 61 LEU HD11 H 1 0.886 . . 2 . . . . . 61 LEU MD1 . 51313 1 185 . 1 . 1 61 61 LEU HD12 H 1 0.886 . . 2 . . . . . 61 LEU MD1 . 51313 1 186 . 1 . 1 61 61 LEU HD13 H 1 0.886 . . 2 . . . . . 61 LEU MD1 . 51313 1 187 . 1 . 1 61 61 LEU HD21 H 1 0.901 . . 2 . . . . . 61 LEU MD2 . 51313 1 188 . 1 . 1 61 61 LEU HD22 H 1 0.901 . . 2 . . . . . 61 LEU MD2 . 51313 1 189 . 1 . 1 61 61 LEU HD23 H 1 0.901 . . 2 . . . . . 61 LEU MD2 . 51313 1 190 . 1 . 1 61 61 LEU CD1 C 13 24.443 . . 2 . . . . . 61 LEU CD1 . 51313 1 191 . 1 . 1 61 61 LEU CD2 C 13 25.889 . . 2 . . . . . 61 LEU CD2 . 51313 1 192 . 1 . 1 61 61 LEU N N 15 119.645 . . 1 . . . . . 61 LEU N . 51313 1 193 . 1 . 1 62 62 ARG H H 1 8.311 . . 1 . . . . . 62 ARG H . 51313 1 194 . 1 . 1 62 62 ARG N N 15 123.126 . . 1 . . . . . 62 ARG N . 51313 1 195 . 1 . 1 63 63 ALA H H 1 7.974 . . 1 . . . . . 63 ALA H . 51313 1 196 . 1 . 1 63 63 ALA HB1 H 1 1.502 . . 1 . . . . . 63 ALA MB . 51313 1 197 . 1 . 1 63 63 ALA HB2 H 1 1.502 . . 1 . . . . . 63 ALA MB . 51313 1 198 . 1 . 1 63 63 ALA HB3 H 1 1.502 . . 1 . . . . . 63 ALA MB . 51313 1 199 . 1 . 1 63 63 ALA CB C 13 17.718 . . 1 . . . . . 63 ALA CB . 51313 1 200 . 1 . 1 63 63 ALA N N 15 122.24 . . 1 . . . . . 63 ALA N . 51313 1 201 . 1 . 1 64 64 LEU H H 1 8.164 . . 1 . . . . . 64 LEU H . 51313 1 202 . 1 . 1 64 64 LEU HD11 H 1 1.14 . . 2 . . . . . 64 LEU MD1 . 51313 1 203 . 1 . 1 64 64 LEU HD12 H 1 1.14 . . 2 . . . . . 64 LEU MD1 . 51313 1 204 . 1 . 1 64 64 LEU HD13 H 1 1.14 . . 2 . . . . . 64 LEU MD1 . 51313 1 205 . 1 . 1 64 64 LEU HD21 H 1 1.502 . . 2 . . . . . 64 LEU MD2 . 51313 1 206 . 1 . 1 64 64 LEU HD22 H 1 1.502 . . 2 . . . . . 64 LEU MD2 . 51313 1 207 . 1 . 1 64 64 LEU HD23 H 1 1.502 . . 2 . . . . . 64 LEU MD2 . 51313 1 208 . 1 . 1 64 64 LEU CD1 C 13 22.427 . . 2 . . . . . 64 LEU CD1 . 51313 1 209 . 1 . 1 64 64 LEU CD2 C 13 17.718 . . 2 . . . . . 64 LEU CD2 . 51313 1 210 . 1 . 1 64 64 LEU N N 15 120.007 . . 1 . . . . . 64 LEU N . 51313 1 211 . 1 . 1 65 65 HIS H H 1 8.086 . . 1 . . . . . 65 HIS H . 51313 1 212 . 1 . 1 65 65 HIS N N 15 120.643 . . 1 . . . . . 65 HIS N . 51313 1 213 . 1 . 1 66 66 MET H H 1 7.849 . . 1 . . . . . 66 MET H . 51313 1 214 . 1 . 1 66 66 MET N N 15 115.232 . . 1 . . . . . 66 MET N . 51313 1 215 . 1 . 1 67 67 LYS H H 1 7.534 . . 1 . . . . . 67 LYS H . 51313 1 216 . 1 . 1 67 67 LYS N N 15 118.368 . . 1 . . . . . 67 LYS N . 51313 1 217 . 1 . 1 68 68 GLU H H 1 8.066 . . 1 . . . . . 68 GLU H . 51313 1 218 . 1 . 1 68 68 GLU N N 15 116.765 . . 1 . . . . . 68 GLU N . 51313 1 219 . 1 . 1 69 69 HIS H H 1 7.97 . . 1 . . . . . 69 HIS H . 51313 1 220 . 1 . 1 69 69 HIS N N 15 115.684 . . 1 . . . . . 69 HIS N . 51313 1 221 . 1 . 1 71 71 ASP H H 1 8.514 . . 1 . . . . . 71 ASP H . 51313 1 222 . 1 . 1 71 71 ASP N N 15 116.672 . . 1 . . . . . 71 ASP N . 51313 1 223 . 1 . 1 72 72 ALA H H 1 7.441 . . 1 . . . . . 72 ALA H . 51313 1 224 . 1 . 1 72 72 ALA HB1 H 1 1.32 . . 1 . . . . . 72 ALA MB . 51313 1 225 . 1 . 1 72 72 ALA HB2 H 1 1.32 . . 1 . . . . . 72 ALA MB . 51313 1 226 . 1 . 1 72 72 ALA HB3 H 1 1.32 . . 1 . . . . . 72 ALA MB . 51313 1 227 . 1 . 1 72 72 ALA CB C 13 19.233 . . 1 . . . . . 72 ALA CB . 51313 1 228 . 1 . 1 72 72 ALA N N 15 123.58 . . 1 . . . . . 72 ALA N . 51313 1 229 . 1 . 1 74 74 TYR H H 1 8.746 . . 1 . . . . . 74 TYR H . 51313 1 230 . 1 . 1 74 74 TYR N N 15 125.821 . . 1 . . . . . 74 TYR N . 51313 1 231 . 1 . 1 75 75 ARG H H 1 8.267 . . 1 . . . . . 75 ARG H . 51313 1 232 . 1 . 1 75 75 ARG N N 15 126.939 . . 1 . . . . . 75 ARG N . 51313 1 233 . 1 . 1 77 77 ARG H H 1 8.471 . . 1 . . . . . 77 ARG H . 51313 1 234 . 1 . 1 77 77 ARG N N 15 123.218 . . 1 . . . . . 77 ARG N . 51313 1 235 . 1 . 1 78 78 ARG H H 1 8.254 . . 1 . . . . . 78 ARG H . 51313 1 236 . 1 . 1 78 78 ARG N N 15 123.5 . . 1 . . . . . 78 ARG N . 51313 1 237 . 1 . 1 79 79 LYS H H 1 8.888 . . 1 . . . . . 79 LYS H . 51313 1 238 . 1 . 1 79 79 LYS N N 15 123.932 . . 1 . . . . . 79 LYS N . 51313 1 239 . 1 . 1 80 80 THR H H 1 8.273 . . 1 . . . . . 80 THR H . 51313 1 240 . 1 . 1 80 80 THR HG21 H 1 1.185 . . 1 . . . . . 80 THR MG . 51313 1 241 . 1 . 1 80 80 THR HG22 H 1 1.185 . . 1 . . . . . 80 THR MG . 51313 1 242 . 1 . 1 80 80 THR HG23 H 1 1.185 . . 1 . . . . . 80 THR MG . 51313 1 243 . 1 . 1 80 80 THR CG2 C 13 21.806 . . 1 . . . . . 80 THR CG2 . 51313 1 244 . 1 . 1 80 80 THR N N 15 116.715 . . 1 . . . . . 80 THR N . 51313 1 245 . 1 . 1 81 81 LYS H H 1 8.486 . . 1 . . . . . 81 LYS H . 51313 1 246 . 1 . 1 81 81 LYS N N 15 125.168 . . 1 . . . . . 81 LYS N . 51313 1 247 . 1 . 1 82 82 THR H H 1 7.822 . . 1 . . . . . 82 THR H . 51313 1 248 . 1 . 1 82 82 THR HG21 H 1 1.125 . . 1 . . . . . 82 THR MG . 51313 1 249 . 1 . 1 82 82 THR HG22 H 1 1.125 . . 1 . . . . . 82 THR MG . 51313 1 250 . 1 . 1 82 82 THR HG23 H 1 1.125 . . 1 . . . . . 82 THR MG . 51313 1 251 . 1 . 1 82 82 THR CG2 C 13 22.036 . . 1 . . . . . 82 THR CG2 . 51313 1 252 . 1 . 1 82 82 THR N N 15 120.951 . . 1 . . . . . 82 THR N . 51313 1 stop_ save_