################################### # 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 51312 _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' . . . 51312 1 2 '2D 1H-13C HSQC' . . . 51312 1 3 '3D HNCACB' . . . 51312 1 4 '3D CBCA(CO)NH' . . . 51312 1 5 '3D HBHA(CO)NH' . . . 51312 1 6 '3D (H)CC(CO)NH TOCSY' . . . 51312 1 7 '3D H(CCCO)NH TOCSY' . . . 51312 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 . . 51312 1 2 $software_2 . . 51312 1 3 $software_3 . . 51312 1 4 $software_4 . . 51312 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 8.561 . . 1 . . . . . 3 ASP H . 51312 1 2 . 1 . 1 3 3 ASP N N 15 120.63 . . 1 . . . . . 3 ASP N . 51312 1 3 . 1 . 1 4 4 ARG H H 1 8.114 . . 1 . . . . . 4 ARG H . 51312 1 4 . 1 . 1 4 4 ARG N N 15 121.401 . . 1 . . . . . 4 ARG N . 51312 1 5 . 1 . 1 5 5 VAL H H 1 8.541 . . 1 . . . . . 5 VAL H . 51312 1 6 . 1 . 1 5 5 VAL HG11 H 1 0.229 . . 2 . . . . . 5 VAL MG1 . 51312 1 7 . 1 . 1 5 5 VAL HG12 H 1 0.229 . . 2 . . . . . 5 VAL MG1 . 51312 1 8 . 1 . 1 5 5 VAL HG13 H 1 0.229 . . 2 . . . . . 5 VAL MG1 . 51312 1 9 . 1 . 1 5 5 VAL HG21 H 1 0.763 . . 2 . . . . . 5 VAL MG2 . 51312 1 10 . 1 . 1 5 5 VAL HG22 H 1 0.763 . . 2 . . . . . 5 VAL MG2 . 51312 1 11 . 1 . 1 5 5 VAL HG23 H 1 0.763 . . 2 . . . . . 5 VAL MG2 . 51312 1 12 . 1 . 1 5 5 VAL CG1 C 13 21.625 . . 2 . . . . . 5 VAL CG1 . 51312 1 13 . 1 . 1 5 5 VAL CG2 C 13 21.718 . . 2 . . . . . 5 VAL CG2 . 51312 1 14 . 1 . 1 5 5 VAL N N 15 125.727 . . 1 . . . . . 5 VAL N . 51312 1 15 . 1 . 1 6 6 LYS H H 1 8.538 . . 1 . . . . . 6 LYS H . 51312 1 16 . 1 . 1 6 6 LYS N N 15 128.693 . . 1 . . . . . 6 LYS N . 51312 1 17 . 1 . 1 7 7 ARG H H 1 7.356 . . 1 . . . . . 7 ARG H . 51312 1 18 . 1 . 1 7 7 ARG N N 15 117.989 . . 1 . . . . . 7 ARG N . 51312 1 19 . 1 . 1 9 9 MET H H 1 8.208 . . 1 . . . . . 9 MET H . 51312 1 20 . 1 . 1 9 9 MET HE1 H 1 2.233 . . 1 . . . . . 9 MET ME . 51312 1 21 . 1 . 1 9 9 MET HE2 H 1 2.233 . . 1 . . . . . 9 MET ME . 51312 1 22 . 1 . 1 9 9 MET HE3 H 1 2.233 . . 1 . . . . . 9 MET ME . 51312 1 23 . 1 . 1 9 9 MET CE C 13 16.377 . . 1 . . . . . 9 MET CE . 51312 1 24 . 1 . 1 9 9 MET N N 15 121.278 . . 1 . . . . . 9 MET N . 51312 1 25 . 1 . 1 10 10 ASN H H 1 8.364 . . 1 . . . . . 10 ASN H . 51312 1 26 . 1 . 1 10 10 ASN N N 15 119.195 . . 1 . . . . . 10 ASN N . 51312 1 27 . 1 . 1 11 11 ALA H H 1 8.954 . . 1 . . . . . 11 ALA H . 51312 1 28 . 1 . 1 11 11 ALA HB1 H 1 1.503 . . 1 . . . . . 11 ALA MB . 51312 1 29 . 1 . 1 11 11 ALA HB2 H 1 1.503 . . 1 . . . . . 11 ALA MB . 51312 1 30 . 1 . 1 11 11 ALA HB3 H 1 1.503 . . 1 . . . . . 11 ALA MB . 51312 1 31 . 1 . 1 11 11 ALA CB C 13 20.656 . . 1 . . . . . 11 ALA CB . 51312 1 32 . 1 . 1 11 11 ALA N N 15 118.002 . . 1 . . . . . 11 ALA N . 51312 1 33 . 1 . 1 12 12 PHE H H 1 6.977 . . 1 . . . . . 12 PHE H . 51312 1 34 . 1 . 1 12 12 PHE N N 15 113.841 . . 1 . . . . . 12 PHE N . 51312 1 35 . 1 . 1 13 13 MET H H 1 7.755 . . 1 . . . . . 13 MET H . 51312 1 36 . 1 . 1 13 13 MET HE1 H 1 -0.127 . . 1 . . . . . 13 MET ME . 51312 1 37 . 1 . 1 13 13 MET HE2 H 1 -0.127 . . 1 . . . . . 13 MET ME . 51312 1 38 . 1 . 1 13 13 MET HE3 H 1 -0.127 . . 1 . . . . . 13 MET ME . 51312 1 39 . 1 . 1 13 13 MET CE C 13 15.105 . . 1 . . . . . 13 MET CE . 51312 1 40 . 1 . 1 13 13 MET N N 15 121.935 . . 1 . . . . . 13 MET N . 51312 1 41 . 1 . 1 14 14 VAL H H 1 8.418 . . 1 . . . . . 14 VAL H . 51312 1 42 . 1 . 1 14 14 VAL HG11 H 1 0.788 . . 2 . . . . . 14 VAL MG1 . 51312 1 43 . 1 . 1 14 14 VAL HG12 H 1 0.788 . . 2 . . . . . 14 VAL MG1 . 51312 1 44 . 1 . 1 14 14 VAL HG13 H 1 0.788 . . 2 . . . . . 14 VAL MG1 . 51312 1 45 . 1 . 1 14 14 VAL HG21 H 1 0.898 . . 2 . . . . . 14 VAL MG2 . 51312 1 46 . 1 . 1 14 14 VAL HG22 H 1 0.898 . . 2 . . . . . 14 VAL MG2 . 51312 1 47 . 1 . 1 14 14 VAL HG23 H 1 0.898 . . 2 . . . . . 14 VAL MG2 . 51312 1 48 . 1 . 1 14 14 VAL CG1 C 13 22.413 . . 2 . . . . . 14 VAL CG1 . 51312 1 49 . 1 . 1 14 14 VAL CG2 C 13 23.705 . . 2 . . . . . 14 VAL CG2 . 51312 1 50 . 1 . 1 14 14 VAL N N 15 119.666 . . 1 . . . . . 14 VAL N . 51312 1 51 . 1 . 1 15 15 TRP H H 1 7.754 . . 1 . . . . . 15 TRP H . 51312 1 52 . 1 . 1 15 15 TRP N N 15 120.947 . . 1 . . . . . 15 TRP N . 51312 1 53 . 1 . 1 16 16 SER H H 1 8.475 . . 1 . . . . . 16 SER H . 51312 1 54 . 1 . 1 16 16 SER N N 15 113.118 . . 1 . . . . . 16 SER N . 51312 1 55 . 1 . 1 17 17 ARG H H 1 7.178 . . 1 . . . . . 17 ARG H . 51312 1 56 . 1 . 1 17 17 ARG N N 15 122.19 . . 1 . . . . . 17 ARG N . 51312 1 57 . 1 . 1 18 18 GLY H H 1 7.34 . . 1 . . . . . 18 GLY H . 51312 1 58 . 1 . 1 18 18 GLY N N 15 124.187 . . 1 . . . . . 18 GLY N . 51312 1 59 . 1 . 1 19 19 GLN H H 1 6.746 . . 1 . . . . . 19 GLN H . 51312 1 60 . 1 . 1 19 19 GLN N N 15 120.202 . . 1 . . . . . 19 GLN N . 51312 1 61 . 1 . 1 20 20 ARG H H 1 8.785 . . 1 . . . . . 20 ARG H . 51312 1 62 . 1 . 1 20 20 ARG N N 15 121.311 . . 1 . . . . . 20 ARG N . 51312 1 63 . 1 . 1 21 21 ARG H H 1 6.848 . . 1 . . . . . 21 ARG H . 51312 1 64 . 1 . 1 21 21 ARG N N 15 116.632 . . 1 . . . . . 21 ARG N . 51312 1 65 . 1 . 1 22 22 LYS H H 1 7.067 . . 1 . . . . . 22 LYS H . 51312 1 66 . 1 . 1 22 22 LYS N N 15 118.705 . . 1 . . . . . 22 LYS N . 51312 1 67 . 1 . 1 23 23 MET H H 1 8.096 . . 1 . . . . . 23 MET H . 51312 1 68 . 1 . 1 23 23 MET N N 15 118.467 . . 1 . . . . . 23 MET N . 51312 1 69 . 1 . 1 24 24 ALA H H 1 8.56 . . 1 . . . . . 24 ALA H . 51312 1 70 . 1 . 1 24 24 ALA HB1 H 1 1.322 . . 1 . . . . . 24 ALA MB . 51312 1 71 . 1 . 1 24 24 ALA HB2 H 1 1.322 . . 1 . . . . . 24 ALA MB . 51312 1 72 . 1 . 1 24 24 ALA HB3 H 1 1.322 . . 1 . . . . . 24 ALA MB . 51312 1 73 . 1 . 1 24 24 ALA CB C 13 18.48 . . 1 . . . . . 24 ALA CB . 51312 1 74 . 1 . 1 24 24 ALA N N 15 121.716 . . 1 . . . . . 24 ALA N . 51312 1 75 . 1 . 1 25 25 GLN H H 1 7.606 . . 1 . . . . . 25 GLN H . 51312 1 76 . 1 . 1 25 25 GLN N N 15 116.187 . . 1 . . . . . 25 GLN N . 51312 1 77 . 1 . 1 26 26 GLU H H 1 7.541 . . 1 . . . . . 26 GLU H . 51312 1 78 . 1 . 1 26 26 GLU N N 15 116.35 . . 1 . . . . . 26 GLU N . 51312 1 79 . 1 . 1 27 27 ASN H H 1 7.603 . . 1 . . . . . 27 ASN H . 51312 1 80 . 1 . 1 27 27 ASN N N 15 115.364 . . 1 . . . . . 27 ASN N . 51312 1 81 . 1 . 1 29 29 LYS H H 1 8.336 . . 1 . . . . . 29 LYS H . 51312 1 82 . 1 . 1 29 29 LYS N N 15 115.454 . . 1 . . . . . 29 LYS N . 51312 1 83 . 1 . 1 30 30 MET H H 1 7.632 . . 1 . . . . . 30 MET H . 51312 1 84 . 1 . 1 30 30 MET N N 15 121.578 . . 1 . . . . . 30 MET N . 51312 1 85 . 1 . 1 31 31 HIS H H 1 9.173 . . 1 . . . . . 31 HIS H . 51312 1 86 . 1 . 1 31 31 HIS N N 15 125.675 . . 1 . . . . . 31 HIS N . 51312 1 87 . 1 . 1 34 34 GLU H H 1 6.684 . . 1 . . . . . 34 GLU H . 51312 1 88 . 1 . 1 34 34 GLU N N 15 123.886 . . 1 . . . . . 34 GLU N . 51312 1 89 . 1 . 1 35 35 ILE H H 1 8.022 . . 1 . . . . . 35 ILE H . 51312 1 90 . 1 . 1 35 35 ILE HG21 H 1 0.929 . . 1 . . . . . 35 ILE MG . 51312 1 91 . 1 . 1 35 35 ILE HG22 H 1 0.929 . . 1 . . . . . 35 ILE MG . 51312 1 92 . 1 . 1 35 35 ILE HG23 H 1 0.929 . . 1 . . . . . 35 ILE MG . 51312 1 93 . 1 . 1 35 35 ILE HD11 H 1 0.698 . . 1 . . . . . 35 ILE MD . 51312 1 94 . 1 . 1 35 35 ILE HD12 H 1 0.698 . . 1 . . . . . 35 ILE MD . 51312 1 95 . 1 . 1 35 35 ILE HD13 H 1 0.698 . . 1 . . . . . 35 ILE MD . 51312 1 96 . 1 . 1 35 35 ILE CG2 C 13 17.831 . . 1 . . . . . 35 ILE CG2 . 51312 1 97 . 1 . 1 35 35 ILE CD1 C 13 12.054 . . 1 . . . . . 35 ILE CD1 . 51312 1 98 . 1 . 1 35 35 ILE N N 15 120.495 . . 1 . . . . . 35 ILE N . 51312 1 99 . 1 . 1 36 36 SER H H 1 8.573 . . 1 . . . . . 36 SER H . 51312 1 100 . 1 . 1 36 36 SER N N 15 115.307 . . 1 . . . . . 36 SER N . 51312 1 101 . 1 . 1 37 37 LYS H H 1 7.379 . . 1 . . . . . 37 LYS H . 51312 1 102 . 1 . 1 37 37 LYS N N 15 119.143 . . 1 . . . . . 37 LYS N . 51312 1 103 . 1 . 1 38 38 ARG H H 1 7.966 . . 1 . . . . . 38 ARG H . 51312 1 104 . 1 . 1 38 38 ARG N N 15 120.329 . . 1 . . . . . 38 ARG N . 51312 1 105 . 1 . 1 39 39 LEU H H 1 9.078 . . 1 . . . . . 39 LEU H . 51312 1 106 . 1 . 1 39 39 LEU HD11 H 1 0.502 . . 2 . . . . . 39 LEU MD1 . 51312 1 107 . 1 . 1 39 39 LEU HD12 H 1 0.502 . . 2 . . . . . 39 LEU MD1 . 51312 1 108 . 1 . 1 39 39 LEU HD13 H 1 0.502 . . 2 . . . . . 39 LEU MD1 . 51312 1 109 . 1 . 1 39 39 LEU HD21 H 1 0.463 . . 2 . . . . . 39 LEU MD2 . 51312 1 110 . 1 . 1 39 39 LEU HD22 H 1 0.463 . . 2 . . . . . 39 LEU MD2 . 51312 1 111 . 1 . 1 39 39 LEU HD23 H 1 0.463 . . 2 . . . . . 39 LEU MD2 . 51312 1 112 . 1 . 1 39 39 LEU CD1 C 13 23.689 . . 2 . . . . . 39 LEU CD1 . 51312 1 113 . 1 . 1 39 39 LEU CD2 C 13 26.943 . . 2 . . . . . 39 LEU CD2 . 51312 1 114 . 1 . 1 39 39 LEU N N 15 119.232 . . 1 . . . . . 39 LEU N . 51312 1 115 . 1 . 1 40 40 GLY H H 1 8.767 . . 1 . . . . . 40 GLY H . 51312 1 116 . 1 . 1 40 40 GLY N N 15 126.416 . . 1 . . . . . 40 GLY N . 51312 1 117 . 1 . 1 41 41 ALA H H 1 7.183 . . 1 . . . . . 41 ALA H . 51312 1 118 . 1 . 1 41 41 ALA HB1 H 1 1.496 . . 1 . . . . . 41 ALA MB . 51312 1 119 . 1 . 1 41 41 ALA HB2 H 1 1.496 . . 1 . . . . . 41 ALA MB . 51312 1 120 . 1 . 1 41 41 ALA HB3 H 1 1.496 . . 1 . . . . . 41 ALA MB . 51312 1 121 . 1 . 1 41 41 ALA CB C 13 18.228 . . 1 . . . . . 41 ALA CB . 51312 1 122 . 1 . 1 41 41 ALA N N 15 121.169 . . 1 . . . . . 41 ALA N . 51312 1 123 . 1 . 1 42 42 GLU H H 1 8.16 . . 1 . . . . . 42 GLU H . 51312 1 124 . 1 . 1 42 42 GLU N N 15 118.122 . . 1 . . . . . 42 GLU N . 51312 1 125 . 1 . 1 43 43 TRP H H 1 8.831 . . 1 . . . . . 43 TRP H . 51312 1 126 . 1 . 1 43 43 TRP N N 15 121.721 . . 1 . . . . . 43 TRP N . 51312 1 127 . 1 . 1 44 44 LYS H H 1 7.223 . . 1 . . . . . 44 LYS H . 51312 1 128 . 1 . 1 44 44 LYS N N 15 114.159 . . 1 . . . . . 44 LYS N . 51312 1 129 . 1 . 1 45 45 LEU H H 1 7.103 . . 1 . . . . . 45 LEU H . 51312 1 130 . 1 . 1 45 45 LEU HD11 H 1 0.828 . . 2 . . . . . 45 LEU MD1 . 51312 1 131 . 1 . 1 45 45 LEU HD12 H 1 0.828 . . 2 . . . . . 45 LEU MD1 . 51312 1 132 . 1 . 1 45 45 LEU HD13 H 1 0.828 . . 2 . . . . . 45 LEU MD1 . 51312 1 133 . 1 . 1 45 45 LEU HD21 H 1 0.855 . . 2 . . . . . 45 LEU MD2 . 51312 1 134 . 1 . 1 45 45 LEU HD22 H 1 0.855 . . 2 . . . . . 45 LEU MD2 . 51312 1 135 . 1 . 1 45 45 LEU HD23 H 1 0.855 . . 2 . . . . . 45 LEU MD2 . 51312 1 136 . 1 . 1 45 45 LEU CD1 C 13 22.168 . . 2 . . . . . 45 LEU CD1 . 51312 1 137 . 1 . 1 45 45 LEU CD2 C 13 25.396 . . 2 . . . . . 45 LEU CD2 . 51312 1 138 . 1 . 1 45 45 LEU N N 15 116.969 . . 1 . . . . . 45 LEU N . 51312 1 139 . 1 . 1 46 46 LEU H H 1 6.955 . . 1 . . . . . 46 LEU H . 51312 1 140 . 1 . 1 46 46 LEU HD11 H 1 0.578 . . 2 . . . . . 46 LEU MD1 . 51312 1 141 . 1 . 1 46 46 LEU HD12 H 1 0.578 . . 2 . . . . . 46 LEU MD1 . 51312 1 142 . 1 . 1 46 46 LEU HD13 H 1 0.578 . . 2 . . . . . 46 LEU MD1 . 51312 1 143 . 1 . 1 46 46 LEU HD21 H 1 0.169 . . 2 . . . . . 46 LEU MD2 . 51312 1 144 . 1 . 1 46 46 LEU HD22 H 1 0.169 . . 2 . . . . . 46 LEU MD2 . 51312 1 145 . 1 . 1 46 46 LEU HD23 H 1 0.169 . . 2 . . . . . 46 LEU MD2 . 51312 1 146 . 1 . 1 46 46 LEU CD1 C 13 22.739 . . 2 . . . . . 46 LEU CD1 . 51312 1 147 . 1 . 1 46 46 LEU CD2 C 13 25.415 . . 2 . . . . . 46 LEU CD2 . 51312 1 148 . 1 . 1 46 46 LEU N N 15 121.503 . . 1 . . . . . 46 LEU N . 51312 1 149 . 1 . 1 47 47 SER H H 1 8.944 . . 1 . . . . . 47 SER H . 51312 1 150 . 1 . 1 47 47 SER N N 15 119.216 . . 1 . . . . . 47 SER N . 51312 1 151 . 1 . 1 48 48 GLU H H 1 8.898 . . 1 . . . . . 48 GLU H . 51312 1 152 . 1 . 1 48 48 GLU N N 15 120.887 . . 1 . . . . . 48 GLU N . 51312 1 153 . 1 . 1 49 49 THR H H 1 7.923 . . 1 . . . . . 49 THR H . 51312 1 154 . 1 . 1 49 49 THR HG21 H 1 1.207 . . 1 . . . . . 49 THR MG . 51312 1 155 . 1 . 1 49 49 THR HG22 H 1 1.207 . . 1 . . . . . 49 THR MG . 51312 1 156 . 1 . 1 49 49 THR HG23 H 1 1.207 . . 1 . . . . . 49 THR MG . 51312 1 157 . 1 . 1 49 49 THR CG2 C 13 21.94 . . 1 . . . . . 49 THR CG2 . 51312 1 158 . 1 . 1 49 49 THR N N 15 112.769 . . 1 . . . . . 49 THR N . 51312 1 159 . 1 . 1 50 50 GLU H H 1 7.485 . . 1 . . . . . 50 GLU H . 51312 1 160 . 1 . 1 50 50 GLU N N 15 121.526 . . 1 . . . . . 50 GLU N . 51312 1 161 . 1 . 1 51 51 LYS H H 1 7.784 . . 1 . . . . . 51 LYS H . 51312 1 162 . 1 . 1 51 51 LYS N N 15 115.57 . . 1 . . . . . 51 LYS N . 51312 1 163 . 1 . 1 52 52 ARG H H 1 7.515 . . 1 . . . . . 52 ARG H . 51312 1 164 . 1 . 1 52 52 ARG N N 15 119.689 . . 1 . . . . . 52 ARG N . 51312 1 165 . 1 . 1 54 54 PHE H H 1 7.391 . . 1 . . . . . 54 PHE H . 51312 1 166 . 1 . 1 54 54 PHE N N 15 117.916 . . 1 . . . . . 54 PHE N . 51312 1 167 . 1 . 1 55 55 ILE H H 1 8.068 . . 1 . . . . . 55 ILE H . 51312 1 168 . 1 . 1 55 55 ILE HG21 H 1 1.022 . . 1 . . . . . 55 ILE MG . 51312 1 169 . 1 . 1 55 55 ILE HG22 H 1 1.022 . . 1 . . . . . 55 ILE MG . 51312 1 170 . 1 . 1 55 55 ILE HG23 H 1 1.022 . . 1 . . . . . 55 ILE MG . 51312 1 171 . 1 . 1 55 55 ILE HD11 H 1 0.912 . . 1 . . . . . 55 ILE MD . 51312 1 172 . 1 . 1 55 55 ILE HD12 H 1 0.912 . . 1 . . . . . 55 ILE MD . 51312 1 173 . 1 . 1 55 55 ILE HD13 H 1 0.912 . . 1 . . . . . 55 ILE MD . 51312 1 174 . 1 . 1 55 55 ILE CG2 C 13 16.975 . . 1 . . . . . 55 ILE CG2 . 51312 1 175 . 1 . 1 55 55 ILE CD1 C 13 13.502 . . 1 . . . . . 55 ILE CD1 . 51312 1 176 . 1 . 1 55 55 ILE N N 15 123.226 . . 1 . . . . . 55 ILE N . 51312 1 177 . 1 . 1 56 56 ASP H H 1 8.843 . . 1 . . . . . 56 ASP H . 51312 1 178 . 1 . 1 56 56 ASP N N 15 121.221 . . 1 . . . . . 56 ASP N . 51312 1 179 . 1 . 1 57 57 GLU H H 1 8.003 . . 1 . . . . . 57 GLU H . 51312 1 180 . 1 . 1 57 57 GLU N N 15 123.288 . . 1 . . . . . 57 GLU N . 51312 1 181 . 1 . 1 58 58 ALA H H 1 8.381 . . 1 . . . . . 58 ALA H . 51312 1 182 . 1 . 1 58 58 ALA HB1 H 1 1.517 . . 1 . . . . . 58 ALA MB . 51312 1 183 . 1 . 1 58 58 ALA HB2 H 1 1.517 . . 1 . . . . . 58 ALA MB . 51312 1 184 . 1 . 1 58 58 ALA HB3 H 1 1.517 . . 1 . . . . . 58 ALA MB . 51312 1 185 . 1 . 1 58 58 ALA CB C 13 17.53 . . 1 . . . . . 58 ALA CB . 51312 1 186 . 1 . 1 58 58 ALA N N 15 121.761 . . 1 . . . . . 58 ALA N . 51312 1 187 . 1 . 1 59 59 LYS H H 1 8.096 . . 1 . . . . . 59 LYS H . 51312 1 188 . 1 . 1 59 59 LYS N N 15 120.071 . . 1 . . . . . 59 LYS N . 51312 1 189 . 1 . 1 60 60 ARG H H 1 8.098 . . 1 . . . . . 60 ARG H . 51312 1 190 . 1 . 1 60 60 ARG N N 15 123.667 . . 1 . . . . . 60 ARG N . 51312 1 191 . 1 . 1 61 61 LEU H H 1 8.831 . . 1 . . . . . 61 LEU H . 51312 1 192 . 1 . 1 61 61 LEU HD11 H 1 0.874 . . 2 . . . . . 61 LEU MD1 . 51312 1 193 . 1 . 1 61 61 LEU HD12 H 1 0.874 . . 2 . . . . . 61 LEU MD1 . 51312 1 194 . 1 . 1 61 61 LEU HD13 H 1 0.874 . . 2 . . . . . 61 LEU MD1 . 51312 1 195 . 1 . 1 61 61 LEU HD21 H 1 24.59 . . 2 . . . . . 61 LEU MD2 . 51312 1 196 . 1 . 1 61 61 LEU HD22 H 1 24.59 . . 2 . . . . . 61 LEU MD2 . 51312 1 197 . 1 . 1 61 61 LEU HD23 H 1 24.59 . . 2 . . . . . 61 LEU MD2 . 51312 1 198 . 1 . 1 61 61 LEU CD1 C 13 0.898 . . 2 . . . . . 61 LEU CD1 . 51312 1 199 . 1 . 1 61 61 LEU CD2 C 13 26.11 . . 2 . . . . . 61 LEU CD2 . 51312 1 200 . 1 . 1 61 61 LEU N N 15 119.758 . . 1 . . . . . 61 LEU N . 51312 1 201 . 1 . 1 62 62 ARG H H 1 8.266 . . 1 . . . . . 62 ARG H . 51312 1 202 . 1 . 1 62 62 ARG N N 15 122.528 . . 1 . . . . . 62 ARG N . 51312 1 203 . 1 . 1 63 63 ALA H H 1 7.827 . . 1 . . . . . 63 ALA H . 51312 1 204 . 1 . 1 63 63 ALA HB1 H 1 1.525 . . 1 . . . . . 63 ALA MB . 51312 1 205 . 1 . 1 63 63 ALA HB2 H 1 1.525 . . 1 . . . . . 63 ALA MB . 51312 1 206 . 1 . 1 63 63 ALA HB3 H 1 1.525 . . 1 . . . . . 63 ALA MB . 51312 1 207 . 1 . 1 63 63 ALA CB C 13 17.747 . . 1 . . . . . 63 ALA CB . 51312 1 208 . 1 . 1 63 63 ALA N N 15 122.227 . . 1 . . . . . 63 ALA N . 51312 1 209 . 1 . 1 64 64 LEU H H 1 8.167 . . 1 . . . . . 64 LEU H . 51312 1 210 . 1 . 1 64 64 LEU HD11 H 1 1.158 . . 2 . . . . . 64 LEU MD1 . 51312 1 211 . 1 . 1 64 64 LEU HD12 H 1 1.158 . . 2 . . . . . 64 LEU MD1 . 51312 1 212 . 1 . 1 64 64 LEU HD13 H 1 1.158 . . 2 . . . . . 64 LEU MD1 . 51312 1 213 . 1 . 1 64 64 LEU HD21 H 1 22.417 . . 2 . . . . . 64 LEU MD2 . 51312 1 214 . 1 . 1 64 64 LEU HD22 H 1 22.417 . . 2 . . . . . 64 LEU MD2 . 51312 1 215 . 1 . 1 64 64 LEU HD23 H 1 22.417 . . 2 . . . . . 64 LEU MD2 . 51312 1 216 . 1 . 1 64 64 LEU CD1 C 13 0.892 . . 2 . . . . . 64 LEU CD1 . 51312 1 217 . 1 . 1 64 64 LEU CD2 C 13 24.32 . . 2 . . . . . 64 LEU CD2 . 51312 1 218 . 1 . 1 64 64 LEU N N 15 120.62 . . 1 . . . . . 64 LEU N . 51312 1 219 . 1 . 1 65 65 HIS H H 1 8.219 . . 1 . . . . . 65 HIS H . 51312 1 220 . 1 . 1 65 65 HIS N N 15 121.358 . . 1 . . . . . 65 HIS N . 51312 1 221 . 1 . 1 66 66 MET H H 1 7.779 . . 1 . . . . . 66 MET H . 51312 1 222 . 1 . 1 66 66 MET N N 15 114.98 . . 1 . . . . . 66 MET N . 51312 1 223 . 1 . 1 67 67 LYS H H 1 7.55 . . 1 . . . . . 67 LYS H . 51312 1 224 . 1 . 1 67 67 LYS N N 15 119.285 . . 1 . . . . . 67 LYS N . 51312 1 225 . 1 . 1 68 68 GLU H H 1 8.142 . . 1 . . . . . 68 GLU H . 51312 1 226 . 1 . 1 68 68 GLU N N 15 116.785 . . 1 . . . . . 68 GLU N . 51312 1 227 . 1 . 1 69 69 HIS H H 1 7.869 . . 1 . . . . . 69 HIS H . 51312 1 228 . 1 . 1 69 69 HIS N N 15 114.672 . . 1 . . . . . 69 HIS N . 51312 1 229 . 1 . 1 71 71 ASP H H 1 8.584 . . 1 . . . . . 71 ASP H . 51312 1 230 . 1 . 1 71 71 ASP N N 15 115.735 . . 1 . . . . . 71 ASP N . 51312 1 231 . 1 . 1 72 72 TYR H H 1 7.755 . . 1 . . . . . 72 TYR H . 51312 1 232 . 1 . 1 72 72 TYR N N 15 121.935 . . 1 . . . . . 72 TYR N . 51312 1 233 . 1 . 1 73 73 LYS H H 1 7.123 . . 1 . . . . . 73 LYS H . 51312 1 234 . 1 . 1 73 73 LYS N N 15 128.838 . . 1 . . . . . 73 LYS N . 51312 1 235 . 1 . 1 74 74 TYR H H 1 8.91 . . 1 . . . . . 74 TYR H . 51312 1 236 . 1 . 1 74 74 TYR N N 15 127.473 . . 1 . . . . . 74 TYR N . 51312 1 237 . 1 . 1 75 75 ARG H H 1 7.893 . . 1 . . . . . 75 ARG H . 51312 1 238 . 1 . 1 75 75 ARG N N 15 128.139 . . 1 . . . . . 75 ARG N . 51312 1 239 . 1 . 1 77 77 ARG H H 1 8.396 . . 1 . . . . . 77 ARG H . 51312 1 240 . 1 . 1 77 77 ARG N N 15 123.804 . . 1 . . . . . 77 ARG N . 51312 1 241 . 1 . 1 78 78 ARG H H 1 8.185 . . 1 . . . . . 78 ARG H . 51312 1 242 . 1 . 1 78 78 ARG N N 15 123.532 . . 1 . . . . . 78 ARG N . 51312 1 243 . 1 . 1 79 79 LYS H H 1 9.071 . . 1 . . . . . 79 LYS H . 51312 1 244 . 1 . 1 79 79 LYS N N 15 124.305 . . 1 . . . . . 79 LYS N . 51312 1 245 . 1 . 1 80 80 THR H H 1 8.312 . . 1 . . . . . 80 THR H . 51312 1 246 . 1 . 1 80 80 THR HG21 H 1 1.219 . . 1 . . . . . 80 THR MG . 51312 1 247 . 1 . 1 80 80 THR HG22 H 1 1.219 . . 1 . . . . . 80 THR MG . 51312 1 248 . 1 . 1 80 80 THR HG23 H 1 1.219 . . 1 . . . . . 80 THR MG . 51312 1 249 . 1 . 1 80 80 THR CG2 C 13 21.733 . . 1 . . . . . 80 THR CG2 . 51312 1 250 . 1 . 1 80 80 THR N N 15 116.875 . . 1 . . . . . 80 THR N . 51312 1 251 . 1 . 1 81 81 LYS H H 1 8.543 . . 1 . . . . . 81 LYS H . 51312 1 252 . 1 . 1 81 81 LYS N N 15 125.443 . . 1 . . . . . 81 LYS N . 51312 1 253 . 1 . 1 82 82 THR H H 1 7.861 . . 1 . . . . . 82 THR H . 51312 1 254 . 1 . 1 82 82 THR HG21 H 1 1.152 . . 1 . . . . . 82 THR MG . 51312 1 255 . 1 . 1 82 82 THR HG22 H 1 1.152 . . 1 . . . . . 82 THR MG . 51312 1 256 . 1 . 1 82 82 THR HG23 H 1 1.152 . . 1 . . . . . 82 THR MG . 51312 1 257 . 1 . 1 82 82 THR CG2 C 13 22.001 . . 1 . . . . . 82 THR CG2 . 51312 1 258 . 1 . 1 82 82 THR N N 15 121.002 . . 1 . . . . . 82 THR N . 51312 1 stop_ save_