################################### # 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 50746 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name 'lipid-bound alpha synuclein' _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 2 '2D 13C/13C TOBSY' . . . 50746 1 3 '3D HNCO' . . . 50746 1 4 '3D HNCA' . . . 50746 1 5 '3D HN(CO)CA' . . . 50746 1 6 '3D CBCA(CO)NH' . . . 50746 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 . . 50746 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 . 1 101 101 GLY C C 13 174.227 0.1 . 1 . . . . . 101 GLY C . 50746 1 2 . 1 . 1 101 101 GLY CA C 13 45.254 0.1 . 1 . . . . . 101 GLY CA . 50746 1 3 . 1 . 1 102 102 LYS H H 1 8.035 0.01 . 1 . . . . . 102 LYS H . 50746 1 4 . 1 . 1 102 102 LYS C C 13 176.586 0.1 . 1 . . . . . 102 LYS C . 50746 1 5 . 1 . 1 102 102 LYS CA C 13 56.414 0.1 . 1 . . . . . 102 LYS CA . 50746 1 6 . 1 . 1 102 102 LYS CB C 13 32.878 0.1 . 1 . . . . . 102 LYS CB . 50746 1 7 . 1 . 1 102 102 LYS CG C 13 24.728 0.1 . 1 . . . . . 102 LYS CG . 50746 1 8 . 1 . 1 102 102 LYS CD C 13 29.003 0.1 . 1 . . . . . 102 LYS CD . 50746 1 9 . 1 . 1 102 102 LYS CE C 13 41.987 0.1 . 1 . . . . . 102 LYS CE . 50746 1 10 . 1 . 1 102 102 LYS N N 15 120.523 0.1 . 1 . . . . . 102 LYS N . 50746 1 11 . 1 . 1 103 103 ASN H H 1 8.425 0.01 . 1 . . . . . 103 ASN H . 50746 1 12 . 1 . 1 103 103 ASN C C 13 175.236 0.1 . 1 . . . . . 103 ASN C . 50746 1 13 . 1 . 1 103 103 ASN CA C 13 53.218 0.1 . 1 . . . . . 103 ASN CA . 50746 1 14 . 1 . 1 103 103 ASN CB C 13 39.056 0.1 . 1 . . . . . 103 ASN CB . 50746 1 15 . 1 . 1 103 103 ASN N N 15 119.286 0.1 . 1 . . . . . 103 ASN N . 50746 1 16 . 1 . 1 104 104 GLU H H 1 8.182 0.01 . 1 . . . . . 104 GLU H . 50746 1 17 . 1 . 1 104 104 GLU C C 13 176.477 0.1 . 1 . . . . . 104 GLU C . 50746 1 18 . 1 . 1 104 104 GLU CA C 13 56.582 0.1 . 1 . . . . . 104 GLU CA . 50746 1 19 . 1 . 1 104 104 GLU CB C 13 29.89 0.1 . 1 . . . . . 104 GLU CB . 50746 1 20 . 1 . 1 104 104 GLU N N 15 121.078 0.1 . 1 . . . . . 104 GLU N . 50746 1 21 . 1 . 1 105 105 GLU H H 1 8.187 0.01 . 1 . . . . . 105 GLU H . 50746 1 22 . 1 . 1 105 105 GLU C C 13 176.92 0.1 . 1 . . . . . 105 GLU C . 50746 1 23 . 1 . 1 105 105 GLU CA C 13 56.731 0.1 . 1 . . . . . 105 GLU CA . 50746 1 24 . 1 . 1 105 105 GLU CB C 13 29.902 0.1 . 1 . . . . . 105 GLU CB . 50746 1 25 . 1 . 1 105 105 GLU N N 15 121.023 0.1 . 1 . . . . . 105 GLU N . 50746 1 26 . 1 . 1 106 106 GLY H H 1 8.221 0.01 . 1 . . . . . 106 GLY H . 50746 1 27 . 1 . 1 106 106 GLY C C 13 173.368 0.1 . 1 . . . . . 106 GLY C . 50746 1 28 . 1 . 1 106 106 GLY CA C 13 44.941 0.1 . 1 . . . . . 106 GLY CA . 50746 1 29 . 1 . 1 106 106 GLY N N 15 109.797 0.1 . 1 . . . . . 106 GLY N . 50746 1 30 . 1 . 1 107 107 ALA H H 1 7.927 0.01 . 1 . . . . . 107 ALA H . 50746 1 31 . 1 . 1 107 107 ALA CA C 13 50.409 0.1 . 1 . . . . . 107 ALA CA . 50746 1 32 . 1 . 1 107 107 ALA CB C 13 18.189 0.1 . 1 . . . . . 107 ALA CB . 50746 1 33 . 1 . 1 107 107 ALA N N 15 124.619 0.1 . 1 . . . . . 107 ALA N . 50746 1 34 . 1 . 1 108 108 PRO C C 13 177.065 0.1 . 1 . . . . . 108 PRO C . 50746 1 35 . 1 . 1 108 108 PRO CA C 13 63.043 0.1 . 1 . . . . . 108 PRO CA . 50746 1 36 . 1 . 1 108 108 PRO CB C 13 32.321 0.1 . 1 . . . . . 108 PRO CB . 50746 1 37 . 1 . 1 109 109 GLN H H 1 8.384 0.01 . 1 . . . . . 109 GLN H . 50746 1 38 . 1 . 1 109 109 GLN C C 13 175.925 0.1 . 1 . . . . . 109 GLN C . 50746 1 39 . 1 . 1 109 109 GLN CA C 13 55.78 0.1 . 1 . . . . . 109 GLN CA . 50746 1 40 . 1 . 1 109 109 GLN CB C 13 30.006 0.1 . 1 . . . . . 109 GLN CB . 50746 1 41 . 1 . 1 109 109 GLN N N 15 120.576 0.1 . 1 . . . . . 109 GLN N . 50746 1 42 . 1 . 1 110 110 GLU H H 1 8.27 0.01 . 1 . . . . . 110 GLU H . 50746 1 43 . 1 . 1 110 110 GLU C C 13 176.887 0.1 . 1 . . . . . 110 GLU C . 50746 1 44 . 1 . 1 110 110 GLU CA C 13 56.661 0.1 . 1 . . . . . 110 GLU CA . 50746 1 45 . 1 . 1 110 110 GLU CB C 13 29.999 0.1 . 1 . . . . . 110 GLU CB . 50746 1 46 . 1 . 1 110 110 GLU N N 15 121.606 0.1 . 1 . . . . . 110 GLU N . 50746 1 47 . 1 . 1 111 111 GLY H H 1 8.274 0.01 . 1 . . . . . 111 GLY H . 50746 1 48 . 1 . 1 111 111 GLY C C 13 173.905 0.1 . 1 . . . . . 111 GLY C . 50746 1 49 . 1 . 1 111 111 GLY CA C 13 45.275 0.1 . 1 . . . . . 111 GLY CA . 50746 1 50 . 1 . 1 111 111 GLY N N 15 109.788 0.1 . 1 . . . . . 111 GLY N . 50746 1 51 . 1 . 1 112 112 ILE H H 1 7.736 0.01 . 1 . . . . . 112 ILE H . 50746 1 52 . 1 . 1 112 112 ILE C C 13 176.263 0.1 . 1 . . . . . 112 ILE C . 50746 1 53 . 1 . 1 112 112 ILE CA C 13 60.969 0.1 . 1 . . . . . 112 ILE CA . 50746 1 54 . 1 . 1 112 112 ILE CB C 13 38.464 0.1 . 1 . . . . . 112 ILE CB . 50746 1 55 . 1 . 1 112 112 ILE CG1 C 13 27.084 0.1 . 1 . . . . . 112 ILE CG1 . 50746 1 56 . 1 . 1 112 112 ILE CG2 C 13 17.614 0.1 . 1 . . . . . 112 ILE CG2 . 50746 1 57 . 1 . 1 112 112 ILE CD1 C 13 12.878 0.1 . 1 . . . . . 112 ILE CD1 . 50746 1 58 . 1 . 1 112 112 ILE N N 15 119.537 0.1 . 1 . . . . . 112 ILE N . 50746 1 59 . 1 . 1 113 113 LEU H H 1 8.133 0.01 . 1 . . . . . 113 LEU H . 50746 1 60 . 1 . 1 113 113 LEU C C 13 177.26 0.1 . 1 . . . . . 113 LEU C . 50746 1 61 . 1 . 1 113 113 LEU CA C 13 55.068 0.1 . 1 . . . . . 113 LEU CA . 50746 1 62 . 1 . 1 113 113 LEU CB C 13 42.11 0.1 . 1 . . . . . 113 LEU CB . 50746 1 63 . 1 . 1 113 113 LEU CG C 13 26.835 0.1 . 1 . . . . . 113 LEU CG . 50746 1 64 . 1 . 1 113 113 LEU CD1 C 13 23.402 0.1 . 2 . . . . . 113 LEU CD1 . 50746 1 65 . 1 . 1 113 113 LEU N N 15 125.617 0.1 . 1 . . . . . 113 LEU N . 50746 1 66 . 1 . 1 114 114 GLU H H 1 8.146 0.01 . 1 . . . . . 114 GLU H . 50746 1 67 . 1 . 1 114 114 GLU C C 13 175.847 0.1 . 1 . . . . . 114 GLU C . 50746 1 68 . 1 . 1 114 114 GLU CA C 13 56.596 0.1 . 1 . . . . . 114 GLU CA . 50746 1 69 . 1 . 1 114 114 GLU CB C 13 30.412 0.1 . 1 . . . . . 114 GLU CB . 50746 1 70 . 1 . 1 114 114 GLU N N 15 121.158 0.1 . 1 . . . . . 114 GLU N . 50746 1 71 . 1 . 1 115 115 ASP H H 1 8.083 0.01 . 1 . . . . . 115 ASP H . 50746 1 72 . 1 . 1 115 115 ASP C C 13 175.618 0.1 . 1 . . . . . 115 ASP C . 50746 1 73 . 1 . 1 115 115 ASP CA C 13 54.15 0.1 . 1 . . . . . 115 ASP CA . 50746 1 74 . 1 . 1 115 115 ASP CB C 13 41.072 0.1 . 1 . . . . . 115 ASP CB . 50746 1 75 . 1 . 1 115 115 ASP N N 15 120.218 0.1 . 1 . . . . . 115 ASP N . 50746 1 76 . 1 . 1 116 116 MET H H 1 7.912 0.01 . 1 . . . . . 116 MET H . 50746 1 77 . 1 . 1 116 116 MET CA C 13 53.118 0.1 . 1 . . . . . 116 MET CA . 50746 1 78 . 1 . 1 116 116 MET N N 15 121.165 0.1 . 1 . . . . . 116 MET N . 50746 1 79 . 1 . 1 117 117 PRO C C 13 176.581 0.1 . 1 . . . . . 117 PRO C . 50746 1 80 . 1 . 1 117 117 PRO CA C 13 62.792 0.1 . 1 . . . . . 117 PRO CA . 50746 1 81 . 1 . 1 117 117 PRO CB C 13 32.037 0.1 . 1 . . . . . 117 PRO CB . 50746 1 82 . 1 . 1 118 118 VAL H H 1 8.022 0.01 . 1 . . . . . 118 VAL H . 50746 1 83 . 1 . 1 118 118 VAL C C 13 175.53 0.1 . 1 . . . . . 118 VAL C . 50746 1 84 . 1 . 1 118 118 VAL CA C 13 61.902 0.1 . 1 . . . . . 118 VAL CA . 50746 1 85 . 1 . 1 118 118 VAL CB C 13 32.904 0.1 . 1 . . . . . 118 VAL CB . 50746 1 86 . 1 . 1 118 118 VAL CG1 C 13 21.093 0.1 . 2 . . . . . 118 VAL CG1 . 50746 1 87 . 1 . 1 118 118 VAL CG2 C 13 20.391 0.1 . 2 . . . . . 118 VAL CG2 . 50746 1 88 . 1 . 1 118 118 VAL N N 15 120.027 0.1 . 1 . . . . . 118 VAL N . 50746 1 89 . 1 . 1 119 119 ASP H H 1 8.233 0.01 . 1 . . . . . 119 ASP H . 50746 1 90 . 1 . 1 119 119 ASP CA C 13 51.768 0.1 . 1 . . . . . 119 ASP CA . 50746 1 91 . 1 . 1 119 119 ASP CB C 13 41.318 0.1 . 1 . . . . . 119 ASP CB . 50746 1 92 . 1 . 1 119 119 ASP N N 15 124.899 0.1 . 1 . . . . . 119 ASP N . 50746 1 93 . 1 . 1 120 120 PRO C C 13 176.907 0.1 . 1 . . . . . 120 PRO C . 50746 1 94 . 1 . 1 120 120 PRO CA C 13 63.586 0.1 . 1 . . . . . 120 PRO CA . 50746 1 95 . 1 . 1 120 120 PRO CB C 13 32.502 0.1 . 1 . . . . . 120 PRO CB . 50746 1 96 . 1 . 1 121 121 ASP H H 1 8.145 0.01 . 1 . . . . . 121 ASP H . 50746 1 97 . 1 . 1 121 121 ASP C C 13 176.072 0.1 . 1 . . . . . 121 ASP C . 50746 1 98 . 1 . 1 121 121 ASP CA C 13 54.524 0.1 . 1 . . . . . 121 ASP CA . 50746 1 99 . 1 . 1 121 121 ASP CB C 13 40.967 0.1 . 1 . . . . . 121 ASP CB . 50746 1 100 . 1 . 1 121 121 ASP N N 15 118.343 0.1 . 1 . . . . . 121 ASP N . 50746 1 101 . 1 . 1 122 122 ASN H H 1 7.815 0.01 . 1 . . . . . 122 ASN H . 50746 1 102 . 1 . 1 122 122 ASN C C 13 175.422 0.1 . 1 . . . . . 122 ASN C . 50746 1 103 . 1 . 1 122 122 ASN CA C 13 53.362 0.1 . 1 . . . . . 122 ASN CA . 50746 1 104 . 1 . 1 122 122 ASN CB C 13 39.232 0.1 . 1 . . . . . 122 ASN CB . 50746 1 105 . 1 . 1 122 122 ASN N N 15 118.553 0.1 . 1 . . . . . 122 ASN N . 50746 1 106 . 1 . 1 123 123 GLU H H 1 8.22 0.01 . 1 . . . . . 123 GLU H . 50746 1 107 . 1 . 1 123 123 GLU C C 13 176.176 0.1 . 1 . . . . . 123 GLU C . 50746 1 108 . 1 . 1 123 123 GLU CA C 13 56.933 0.1 . 1 . . . . . 123 GLU CA . 50746 1 109 . 1 . 1 123 123 GLU CB C 13 29.916 0.1 . 1 . . . . . 123 GLU CB . 50746 1 110 . 1 . 1 123 123 GLU N N 15 121.573 0.1 . 1 . . . . . 123 GLU N . 50746 1 111 . 1 . 1 124 124 ALA H H 1 8.04 0.01 . 1 . . . . . 124 ALA H . 50746 1 112 . 1 . 1 124 124 ALA C C 13 177.289 0.1 . 1 . . . . . 124 ALA C . 50746 1 113 . 1 . 1 124 124 ALA CA C 13 52.408 0.1 . 1 . . . . . 124 ALA CA . 50746 1 114 . 1 . 1 124 124 ALA CB C 13 19.03 0.1 . 1 . . . . . 124 ALA CB . 50746 1 115 . 1 . 1 124 124 ALA N N 15 123.316 0.1 . 1 . . . . . 124 ALA N . 50746 1 116 . 1 . 1 125 125 TYR H H 1 7.715 0.01 . 1 . . . . . 125 TYR H . 50746 1 117 . 1 . 1 125 125 TYR C C 13 175.295 0.1 . 1 . . . . . 125 TYR C . 50746 1 118 . 1 . 1 125 125 TYR CA C 13 57.781 0.1 . 1 . . . . . 125 TYR CA . 50746 1 119 . 1 . 1 125 125 TYR CB C 13 38.921 0.1 . 1 . . . . . 125 TYR CB . 50746 1 120 . 1 . 1 125 125 TYR N N 15 118.865 0.1 . 1 . . . . . 125 TYR N . 50746 1 121 . 1 . 1 126 126 GLU H H 1 7.881 0.01 . 1 . . . . . 126 GLU H . 50746 1 122 . 1 . 1 126 126 GLU C C 13 175.391 0.1 . 1 . . . . . 126 GLU C . 50746 1 123 . 1 . 1 126 126 GLU CA C 13 55.592 0.1 . 1 . . . . . 126 GLU CA . 50746 1 124 . 1 . 1 126 126 GLU CB C 13 30.579 0.1 . 1 . . . . . 126 GLU CB . 50746 1 125 . 1 . 1 126 126 GLU N N 15 122.729 0.1 . 1 . . . . . 126 GLU N . 50746 1 126 . 1 . 1 127 127 MET H H 1 8.132 0.01 . 1 . . . . . 127 MET H . 50746 1 127 . 1 . 1 127 127 MET CA C 13 53.177 0.1 . 1 . . . . . 127 MET CA . 50746 1 128 . 1 . 1 127 127 MET N N 15 122.923 0.1 . 1 . . . . . 127 MET N . 50746 1 129 . 1 . 1 128 128 PRO C C 13 176.883 0.1 . 1 . . . . . 128 PRO C . 50746 1 130 . 1 . 1 128 128 PRO CA C 13 63.076 0.1 . 1 . . . . . 128 PRO CA . 50746 1 131 . 1 . 1 128 128 PRO CB C 13 32.55 0.1 . 1 . . . . . 128 PRO CB . 50746 1 132 . 1 . 1 129 129 SER H H 1 8.252 0.01 . 1 . . . . . 129 SER H . 50746 1 133 . 1 . 1 129 129 SER C C 13 174.834 0.1 . 1 . . . . . 129 SER C . 50746 1 134 . 1 . 1 129 129 SER CA C 13 58.372 0.1 . 1 . . . . . 129 SER CA . 50746 1 135 . 1 . 1 129 129 SER CB C 13 63.707 0.1 . 1 . . . . . 129 SER CB . 50746 1 136 . 1 . 1 129 129 SER N N 15 116.198 0.1 . 1 . . . . . 129 SER N . 50746 1 137 . 1 . 1 130 130 GLU H H 1 8.325 0.01 . 1 . . . . . 130 GLU H . 50746 1 138 . 1 . 1 130 130 GLU C C 13 176.476 0.1 . 1 . . . . . 130 GLU C . 50746 1 139 . 1 . 1 130 130 GLU CA C 13 56.571 0.1 . 1 . . . . . 130 GLU CA . 50746 1 140 . 1 . 1 130 130 GLU CB C 13 29.987 0.1 . 1 . . . . . 130 GLU CB . 50746 1 141 . 1 . 1 130 130 GLU N N 15 122.395 0.1 . 1 . . . . . 130 GLU N . 50746 1 142 . 1 . 1 131 131 GLU H H 1 8.237 0.01 . 1 . . . . . 131 GLU H . 50746 1 143 . 1 . 1 131 131 GLU C C 13 176.923 0.1 . 1 . . . . . 131 GLU C . 50746 1 144 . 1 . 1 131 131 GLU CA C 13 56.82 0.1 . 1 . . . . . 131 GLU CA . 50746 1 145 . 1 . 1 131 131 GLU CB C 13 29.943 0.1 . 1 . . . . . 131 GLU CB . 50746 1 146 . 1 . 1 131 131 GLU N N 15 121.461 0.1 . 1 . . . . . 131 GLU N . 50746 1 147 . 1 . 1 132 132 GLY H H 1 8.169 0.01 . 1 . . . . . 132 GLY H . 50746 1 148 . 1 . 1 132 132 GLY C C 13 173.934 0.1 . 1 . . . . . 132 GLY C . 50746 1 149 . 1 . 1 132 132 GLY CA C 13 45.139 0.1 . 1 . . . . . 132 GLY CA . 50746 1 150 . 1 . 1 132 132 GLY N N 15 109.41 0.1 . 1 . . . . . 132 GLY N . 50746 1 151 . 1 . 1 133 133 TYR H H 1 7.82 0.01 . 1 . . . . . 133 TYR H . 50746 1 152 . 1 . 1 133 133 TYR C C 13 175.853 0.1 . 1 . . . . . 133 TYR C . 50746 1 153 . 1 . 1 133 133 TYR CA C 13 58.063 0.1 . 1 . . . . . 133 TYR CA . 50746 1 154 . 1 . 1 133 133 TYR CB C 13 38.514 0.1 . 1 . . . . . 133 TYR CB . 50746 1 155 . 1 . 1 133 133 TYR N N 15 119.839 0.1 . 1 . . . . . 133 TYR N . 50746 1 156 . 1 . 1 134 134 GLN H H 1 8.096 0.01 . 1 . . . . . 134 GLN H . 50746 1 157 . 1 . 1 134 134 GLN C C 13 175.105 0.1 . 1 . . . . . 134 GLN C . 50746 1 158 . 1 . 1 134 134 GLN CA C 13 55.64 0.1 . 1 . . . . . 134 GLN CA . 50746 1 159 . 1 . 1 134 134 GLN CB C 13 30.142 0.1 . 1 . . . . . 134 GLN CB . 50746 1 160 . 1 . 1 134 134 GLN N N 15 121.682 0.1 . 1 . . . . . 134 GLN N . 50746 1 161 . 1 . 1 135 135 ASP H H 1 8.025 0.01 . 1 . . . . . 135 ASP H . 50746 1 162 . 1 . 1 135 135 ASP C C 13 175.433 0.1 . 1 . . . . . 135 ASP C . 50746 1 163 . 1 . 1 135 135 ASP CA C 13 54.198 0.1 . 1 . . . . . 135 ASP CA . 50746 1 164 . 1 . 1 135 135 ASP CB C 13 41.193 0.1 . 1 . . . . . 135 ASP CB . 50746 1 165 . 1 . 1 135 135 ASP N N 15 120.897 0.1 . 1 . . . . . 135 ASP N . 50746 1 166 . 1 . 1 136 136 TYR H H 1 7.771 0.01 . 1 . . . . . 136 TYR H . 50746 1 167 . 1 . 1 136 136 TYR C C 13 174.94 0.1 . 1 . . . . . 136 TYR C . 50746 1 168 . 1 . 1 136 136 TYR CA C 13 57.546 0.1 . 1 . . . . . 136 TYR CA . 50746 1 169 . 1 . 1 136 136 TYR CB C 13 39.042 0.1 . 1 . . . . . 136 TYR CB . 50746 1 170 . 1 . 1 136 136 TYR N N 15 119.973 0.1 . 1 . . . . . 136 TYR N . 50746 1 171 . 1 . 1 137 137 GLU H H 1 7.973 0.01 . 1 . . . . . 137 GLU H . 50746 1 172 . 1 . 1 137 137 GLU CA C 13 53.453 0.1 . 1 . . . . . 137 GLU CA . 50746 1 173 . 1 . 1 137 137 GLU CB C 13 30.234 0.1 . 1 . . . . . 137 GLU CB . 50746 1 174 . 1 . 1 137 137 GLU N N 15 124.919 0.1 . 1 . . . . . 137 GLU N . 50746 1 175 . 1 . 1 138 138 PRO C C 13 176.803 0.1 . 1 . . . . . 138 PRO C . 50746 1 176 . 1 . 1 138 138 PRO CA C 13 62.906 0.1 . 1 . . . . . 138 PRO CA . 50746 1 177 . 1 . 1 138 138 PRO CB C 13 32.651 0.1 . 1 . . . . . 138 PRO CB . 50746 1 178 . 1 . 1 139 139 GLU H H 1 8.313 0.01 . 1 . . . . . 139 GLU H . 50746 1 179 . 1 . 1 139 139 GLU C C 13 175.296 0.1 . 1 . . . . . 139 GLU C . 50746 1 180 . 1 . 1 139 139 GLU CA C 13 56.34 0.1 . 1 . . . . . 139 GLU CA . 50746 1 181 . 1 . 1 139 139 GLU CB C 13 30.26 0.1 . 1 . . . . . 139 GLU CB . 50746 1 182 . 1 . 1 139 139 GLU N N 15 120.915 0.1 . 1 . . . . . 139 GLU N . 50746 1 183 . 1 . 1 140 140 ALA H H 1 7.725 0.01 . 1 . . . . . 140 ALA H . 50746 1 184 . 1 . 1 140 140 ALA CA C 13 53.742 0.1 . 1 . . . . . 140 ALA CA . 50746 1 185 . 1 . 1 140 140 ALA CB C 13 20.21 0.1 . 1 . . . . . 140 ALA CB . 50746 1 186 . 1 . 1 140 140 ALA N N 15 130.397 0.1 . 1 . . . . . 140 ALA N . 50746 1 stop_ save_