################################### # 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_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 27109 _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 $chemical_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' . . . 27109 1 2 '2D 1H-13C HSQC' . . . 27109 1 3 '3D CBCA(CO)NH' . . . 27109 1 4 '3D HNCO' . . . 27109 1 5 '3D HNCA' . . . 27109 1 6 '3D HNCACB' . . . 27109 1 7 '3D 1H-15N NOESY' . . . 27109 1 8 '3D H(CCO)NH' . . . 27109 1 9 '3D HNCACO' . . . 27109 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 . 1 149 149 GLY H H 1 8.423 0.000 . 1 . . . . . 149 GLY H . 27109 1 2 . 1 . 1 149 149 GLY HA2 H 1 3.900 0.000 . 1 . . . . . 149 GLY HA2 . 27109 1 3 . 1 . 1 149 149 GLY C C 13 171.590 0.000 . 1 . . . . . 149 GLY C . 27109 1 4 . 1 . 1 149 149 GLY CA C 13 42.795 0.000 . 1 . . . . . 149 GLY CA . 27109 1 5 . 1 . 1 149 149 GLY N N 15 110.798 0.000 . 1 . . . . . 149 GLY N . 27109 1 6 . 1 . 1 150 150 LEU H H 1 8.070 0.000 . 1 . . . . . 150 LEU H . 27109 1 7 . 1 . 1 150 150 LEU HA H 1 4.255 0.000 . 1 . . . . . 150 LEU HA . 27109 1 8 . 1 . 1 150 150 LEU HB2 H 1 1.538 0.000 . 2 . . . . . 150 LEU HB2 . 27109 1 9 . 1 . 1 150 150 LEU HB3 H 1 1.487 0.000 . 2 . . . . . 150 LEU HB3 . 27109 1 10 . 1 . 1 150 150 LEU HG H 1 1.098 0.000 . 1 . . . . . 150 LEU HG . 27109 1 11 . 1 . 1 150 150 LEU HD11 H 1 0.758 0.000 . 2 . . . . . 150 LEU HD11 . 27109 1 12 . 1 . 1 150 150 LEU HD12 H 1 0.758 0.000 . 2 . . . . . 150 LEU HD12 . 27109 1 13 . 1 . 1 150 150 LEU HD13 H 1 0.758 0.000 . 2 . . . . . 150 LEU HD13 . 27109 1 14 . 1 . 1 150 150 LEU HD21 H 1 0.811 0.000 . 2 . . . . . 150 LEU HD21 . 27109 1 15 . 1 . 1 150 150 LEU HD22 H 1 0.811 0.000 . 2 . . . . . 150 LEU HD22 . 27109 1 16 . 1 . 1 150 150 LEU HD23 H 1 0.811 0.000 . 2 . . . . . 150 LEU HD23 . 27109 1 17 . 1 . 1 150 150 LEU C C 13 174.522 0.000 . 1 . . . . . 150 LEU C . 27109 1 18 . 1 . 1 150 150 LEU CA C 13 52.599 0.000 . 1 . . . . . 150 LEU CA . 27109 1 19 . 1 . 1 150 150 LEU CB C 13 39.704 0.004 . 1 . . . . . 150 LEU CB . 27109 1 20 . 1 . 1 150 150 LEU CG C 13 24.297 0.000 . 1 . . . . . 150 LEU CG . 27109 1 21 . 1 . 1 150 150 LEU CD1 C 13 20.669 0.000 . 2 . . . . . 150 LEU CD1 . 27109 1 22 . 1 . 1 150 150 LEU CD2 C 13 22.249 0.000 . 2 . . . . . 150 LEU CD2 . 27109 1 23 . 1 . 1 150 150 LEU N N 15 121.530 0.000 . 1 . . . . . 150 LEU N . 27109 1 24 . 1 . 1 151 151 ASP H H 1 8.296 0.000 . 1 . . . . . 151 ASP H . 27109 1 25 . 1 . 1 151 151 ASP HA H 1 4.483 0.000 . 1 . . . . . 151 ASP HA . 27109 1 26 . 1 . 1 151 151 ASP HB2 H 1 2.598 0.023 . 1 . . . . . 151 ASP HB2 . 27109 1 27 . 1 . 1 151 151 ASP C C 13 173.546 0.000 . 1 . . . . . 151 ASP C . 27109 1 28 . 1 . 1 151 151 ASP CA C 13 51.543 0.000 . 1 . . . . . 151 ASP CA . 27109 1 29 . 1 . 1 151 151 ASP CB C 13 38.423 0.003 . 1 . . . . . 151 ASP CB . 27109 1 30 . 1 . 1 151 151 ASP N N 15 120.728 0.000 . 1 . . . . . 151 ASP N . 27109 1 31 . 1 . 1 152 152 ALA H H 1 8.188 0.000 . 1 . . . . . 152 ALA H . 27109 1 32 . 1 . 1 152 152 ALA HA H 1 4.237 0.000 . 1 . . . . . 152 ALA HA . 27109 1 33 . 1 . 1 152 152 ALA HB1 H 1 1.309 0.000 . 1 . . . . . 152 ALA HB1 . 27109 1 34 . 1 . 1 152 152 ALA HB2 H 1 1.309 0.000 . 1 . . . . . 152 ALA HB2 . 27109 1 35 . 1 . 1 152 152 ALA HB3 H 1 1.309 0.000 . 1 . . . . . 152 ALA HB3 . 27109 1 36 . 1 . 1 152 152 ALA C C 13 175.518 0.000 . 1 . . . . . 152 ALA C . 27109 1 37 . 1 . 1 152 152 ALA CA C 13 50.277 0.000 . 1 . . . . . 152 ALA CA . 27109 1 38 . 1 . 1 152 152 ALA CB C 13 16.460 0.000 . 1 . . . . . 152 ALA CB . 27109 1 39 . 1 . 1 152 152 ALA N N 15 124.490 0.000 . 1 . . . . . 152 ALA N . 27109 1 40 . 1 . 1 153 153 THR H H 1 8.079 0.000 . 1 . . . . . 153 THR H . 27109 1 41 . 1 . 1 153 153 THR HA H 1 4.139 0.000 . 1 . . . . . 153 THR HA . 27109 1 42 . 1 . 1 153 153 THR HB H 1 4.100 0.000 . 1 . . . . . 153 THR HB . 27109 1 43 . 1 . 1 153 153 THR HG21 H 1 1.083 0.000 . 1 . . . . . 153 THR HG1 . 27109 1 44 . 1 . 1 153 153 THR HG22 H 1 1.083 0.000 . 1 . . . . . 153 THR HG1 . 27109 1 45 . 1 . 1 153 153 THR HG23 H 1 1.083 0.000 . 1 . . . . . 153 THR HG1 . 27109 1 46 . 1 . 1 153 153 THR C C 13 172.113 0.000 . 1 . . . . . 153 THR C . 27109 1 47 . 1 . 1 153 153 THR CA C 13 59.949 0.000 . 1 . . . . . 153 THR CA . 27109 1 48 . 1 . 1 153 153 THR CB C 13 66.932 0.000 . 1 . . . . . 153 THR CB . 27109 1 49 . 1 . 1 153 153 THR CG2 C 13 18.935 0.000 . 1 . . . . . 153 THR CG2 . 27109 1 50 . 1 . 1 153 153 THR N N 15 112.134 0.000 . 1 . . . . . 153 THR N . 27109 1 51 . 1 . 1 154 154 HIS H H 1 8.090 0.000 . 1 . . . . . 154 HIS H . 27109 1 52 . 1 . 1 154 154 HIS HA H 1 4.516 0.000 . 1 . . . . . 154 HIS HA . 27109 1 53 . 1 . 1 154 154 HIS HB2 H 1 3.120 0.000 . 2 . . . . . 154 HIS HB2 . 27109 1 54 . 1 . 1 154 154 HIS HB3 H 1 3.004 0.000 . 2 . . . . . 154 HIS HB3 . 27109 1 55 . 1 . 1 154 154 HIS C C 13 172.373 0.000 . 1 . . . . . 154 HIS C . 27109 1 56 . 1 . 1 154 154 HIS CA C 13 53.653 0.000 . 1 . . . . . 154 HIS CA . 27109 1 57 . 1 . 1 154 154 HIS CB C 13 27.500 0.000 . 1 . . . . . 154 HIS CB . 27109 1 58 . 1 . 1 154 154 HIS N N 15 120.933 0.000 . 1 . . . . . 154 HIS N . 27109 1 59 . 1 . 1 155 155 ALA H H 1 8.059 0.000 . 1 . . . . . 155 ALA H . 27109 1 60 . 1 . 1 155 155 ALA HA H 1 4.196 0.000 . 1 . . . . . 155 ALA HA . 27109 1 61 . 1 . 1 155 155 ALA HB1 H 1 1.291 0.000 . 1 . . . . . 155 ALA HB1 . 27109 1 62 . 1 . 1 155 155 ALA HB2 H 1 1.291 0.000 . 1 . . . . . 155 ALA HB2 . 27109 1 63 . 1 . 1 155 155 ALA HB3 H 1 1.291 0.000 . 1 . . . . . 155 ALA HB3 . 27109 1 64 . 1 . 1 155 155 ALA C C 13 175.079 0.000 . 1 . . . . . 155 ALA C . 27109 1 65 . 1 . 1 155 155 ALA CA C 13 50.111 0.000 . 1 . . . . . 155 ALA CA . 27109 1 66 . 1 . 1 155 155 ALA CB C 13 16.570 0.000 . 1 . . . . . 155 ALA CB . 27109 1 67 . 1 . 1 155 155 ALA N N 15 124.629 0.000 . 1 . . . . . 155 ALA N . 27109 1 68 . 1 . 1 156 156 GLU H H 1 8.365 0.000 . 1 . . . . . 156 GLU H . 27109 1 69 . 1 . 1 156 156 GLU HA H 1 4.163 0.000 . 1 . . . . . 156 GLU HA . 27109 1 70 . 1 . 1 156 156 GLU HB2 H 1 1.887 0.000 . 1 . . . . . 156 GLU HB2 . 27109 1 71 . 1 . 1 156 156 GLU HG2 H 1 2.209 0.000 . 1 . . . . . 156 GLU HG2 . 27109 1 72 . 1 . 1 156 156 GLU C C 13 173.841 0.000 . 1 . . . . . 156 GLU C . 27109 1 73 . 1 . 1 156 156 GLU CA C 13 54.041 0.000 . 1 . . . . . 156 GLU CA . 27109 1 74 . 1 . 1 156 156 GLU CB C 13 27.404 0.000 . 1 . . . . . 156 GLU CB . 27109 1 75 . 1 . 1 156 156 GLU CG C 13 33.497 0.000 . 1 . . . . . 156 GLU CG . 27109 1 76 . 1 . 1 156 156 GLU N N 15 119.921 0.000 . 1 . . . . . 156 GLU N . 27109 1 77 . 1 . 1 157 157 ARG H H 1 8.139 0.000 . 1 . . . . . 157 ARG H . 27109 1 78 . 1 . 1 157 157 ARG HA H 1 4.239 0.000 . 1 . . . . . 157 ARG HA . 27109 1 79 . 1 . 1 157 157 ARG HB2 H 1 1.793 0.000 . 1 . . . . . 157 ARG HB2 . 27109 1 80 . 1 . 1 157 157 ARG HG2 H 1 1.547 0.000 . 1 . . . . . 157 ARG HG2 . 27109 1 81 . 1 . 1 157 157 ARG HD2 H 1 3.116 0.000 . 1 . . . . . 157 ARG HD2 . 27109 1 82 . 1 . 1 157 157 ARG C C 13 173.007 0.000 . 1 . . . . . 157 ARG C . 27109 1 83 . 1 . 1 157 157 ARG CA C 13 53.207 0.000 . 1 . . . . . 157 ARG CA . 27109 1 84 . 1 . 1 157 157 ARG CB C 13 28.202 0.000 . 1 . . . . . 157 ARG CB . 27109 1 85 . 1 . 1 157 157 ARG CG C 13 24.373 0.000 . 1 . . . . . 157 ARG CG . 27109 1 86 . 1 . 1 157 157 ARG CD C 13 40.664 0.000 . 1 . . . . . 157 ARG CD . 27109 1 87 . 1 . 1 157 157 ARG N N 15 121.609 0.000 . 1 . . . . . 157 ARG N . 27109 1 88 . 1 . 1 158 158 ALA H H 1 8.162 0.000 . 1 . . . . . 158 ALA H . 27109 1 89 . 1 . 1 158 158 ALA HA H 1 4.247 0.000 . 1 . . . . . 158 ALA HA . 27109 1 90 . 1 . 1 158 158 ALA HB1 H 1 1.269 0.000 . 1 . . . . . 158 ALA HB1 . 27109 1 91 . 1 . 1 158 158 ALA HB2 H 1 1.269 0.000 . 1 . . . . . 158 ALA HB2 . 27109 1 92 . 1 . 1 158 158 ALA HB3 H 1 1.269 0.000 . 1 . . . . . 158 ALA HB3 . 27109 1 93 . 1 . 1 158 158 ALA C C 13 174.558 0.000 . 1 . . . . . 158 ALA C . 27109 1 94 . 1 . 1 158 158 ALA CA C 13 49.533 0.000 . 1 . . . . . 158 ALA CA . 27109 1 95 . 1 . 1 158 158 ALA CB C 13 16.508 0.000 . 1 . . . . . 158 ALA CB . 27109 1 96 . 1 . 1 158 158 ALA N N 15 125.276 0.000 . 1 . . . . . 158 ALA N . 27109 1 97 . 1 . 1 159 159 ILE H H 1 8.047 0.000 . 1 . . . . . 159 ILE H . 27109 1 98 . 1 . 1 159 159 ILE HA H 1 4.355 0.000 . 1 . . . . . 159 ILE HA . 27109 1 99 . 1 . 1 159 159 ILE HB H 1 1.773 0.000 . 1 . . . . . 159 ILE HB . 27109 1 100 . 1 . 1 159 159 ILE HG12 H 1 0.808 0.000 . 1 . . . . . 159 ILE HG12 . 27109 1 101 . 1 . 1 159 159 ILE HG21 H 1 0.874 0.000 . 1 . . . . . 159 ILE HG21 . 27109 1 102 . 1 . 1 159 159 ILE HG22 H 1 0.874 0.000 . 1 . . . . . 159 ILE HG22 . 27109 1 103 . 1 . 1 159 159 ILE HG23 H 1 0.874 0.000 . 1 . . . . . 159 ILE HG23 . 27109 1 104 . 1 . 1 159 159 ILE HD11 H 1 0.785 0.000 . 1 . . . . . 159 ILE HD11 . 27109 1 105 . 1 . 1 159 159 ILE HD12 H 1 0.785 0.000 . 1 . . . . . 159 ILE HD12 . 27109 1 106 . 1 . 1 159 159 ILE HD13 H 1 0.785 0.000 . 1 . . . . . 159 ILE HD13 . 27109 1 107 . 1 . 1 159 159 ILE C C 13 171.948 0.000 . 1 . . . . . 159 ILE C . 27109 1 108 . 1 . 1 159 159 ILE CA C 13 55.893 0.000 . 1 . . . . . 159 ILE CA . 27109 1 109 . 1 . 1 159 159 ILE CB C 13 35.935 0.000 . 1 . . . . . 159 ILE CB . 27109 1 110 . 1 . 1 159 159 ILE CG1 C 13 14.735 0.000 . 1 . . . . . 159 ILE CG1 . 27109 1 111 . 1 . 1 159 159 ILE CG2 C 13 14.312 0.000 . 1 . . . . . 159 ILE CG2 . 27109 1 112 . 1 . 1 159 159 ILE CD1 C 13 10.018 0.000 . 1 . . . . . 159 ILE CD1 . 27109 1 113 . 1 . 1 159 159 ILE N N 15 122.171 0.000 . 1 . . . . . 159 ILE N . 27109 1 114 . 1 . 1 161 161 VAL H H 1 8.150 0.000 . 1 . . . . . 161 VAL H . 27109 1 115 . 1 . 1 161 161 VAL HA H 1 4.023 0.000 . 1 . . . . . 161 VAL HA . 27109 1 116 . 1 . 1 161 161 VAL HB H 1 1.979 0.000 . 1 . . . . . 161 VAL HB . 27109 1 117 . 1 . 1 161 161 VAL HG11 H 1 0.892 0.000 . 2 . . . . . 161 VAL HG11 . 27109 1 118 . 1 . 1 161 161 VAL HG12 H 1 0.892 0.000 . 2 . . . . . 161 VAL HG12 . 27109 1 119 . 1 . 1 161 161 VAL HG13 H 1 0.892 0.000 . 2 . . . . . 161 VAL HG13 . 27109 1 120 . 1 . 1 161 161 VAL HG21 H 1 0.876 0.000 . 2 . . . . . 161 VAL HG21 . 27109 1 121 . 1 . 1 161 161 VAL HG22 H 1 0.876 0.000 . 2 . . . . . 161 VAL HG22 . 27109 1 122 . 1 . 1 161 161 VAL HG23 H 1 0.876 0.000 . 2 . . . . . 161 VAL HG23 . 27109 1 123 . 1 . 1 161 161 VAL C C 13 173.586 0.000 . 1 . . . . . 161 VAL C . 27109 1 124 . 1 . 1 161 161 VAL CA C 13 59.566 0.000 . 1 . . . . . 161 VAL CA . 27109 1 125 . 1 . 1 161 161 VAL CB C 13 30.181 0.000 . 1 . . . . . 161 VAL CB . 27109 1 126 . 1 . 1 161 161 VAL N N 15 120.523 0.000 . 1 . . . . . 161 VAL N . 27109 1 127 . 1 . 1 162 162 SER H H 1 8.320 0.000 . 1 . . . . . 162 SER H . 27109 1 128 . 1 . 1 162 162 SER HA H 1 4.397 0.000 . 1 . . . . . 162 SER HA . 27109 1 129 . 1 . 1 162 162 SER HB2 H 1 3.806 0.000 . 1 . . . . . 162 SER HB2 . 27109 1 130 . 1 . 1 162 162 SER C C 13 171.720 0.000 . 1 . . . . . 162 SER C . 27109 1 131 . 1 . 1 162 162 SER CA C 13 55.367 0.000 . 1 . . . . . 162 SER CA . 27109 1 132 . 1 . 1 162 162 SER CB C 13 61.300 0.000 . 1 . . . . . 162 SER CB . 27109 1 133 . 1 . 1 162 162 SER N N 15 119.611 0.000 . 1 . . . . . 162 SER N . 27109 1 134 . 1 . 1 163 163 ARG H H 1 8.407 0.000 . 1 . . . . . 163 ARG H . 27109 1 135 . 1 . 1 163 163 ARG HA H 1 4.299 0.000 . 1 . . . . . 163 ARG HA . 27109 1 136 . 1 . 1 163 163 ARG HB2 H 1 1.674 0.000 . 1 . . . . . 163 ARG HB2 . 27109 1 137 . 1 . 1 163 163 ARG HG2 H 1 1.448 0.000 . 1 . . . . . 163 ARG HG2 . 27109 1 138 . 1 . 1 163 163 ARG HD2 H 1 3.116 0.000 . 1 . . . . . 163 ARG HD2 . 27109 1 139 . 1 . 1 163 163 ARG C C 13 173.277 0.000 . 1 . . . . . 163 ARG C . 27109 1 140 . 1 . 1 163 163 ARG CA C 13 53.281 0.000 . 1 . . . . . 163 ARG CA . 27109 1 141 . 1 . 1 163 163 ARG CB C 13 28.205 0.000 . 1 . . . . . 163 ARG CB . 27109 1 142 . 1 . 1 163 163 ARG CG C 13 24.295 0.000 . 1 . . . . . 163 ARG CG . 27109 1 143 . 1 . 1 163 163 ARG CD C 13 40.566 0.000 . 1 . . . . . 163 ARG CD . 27109 1 144 . 1 . 1 163 163 ARG N N 15 123.635 0.000 . 1 . . . . . 163 ARG N . 27109 1 145 . 1 . 1 164 164 GLU H H 1 8.329 0.000 . 1 . . . . . 164 GLU H . 27109 1 146 . 1 . 1 164 164 GLU HA H 1 4.209 0.000 . 1 . . . . . 164 GLU HA . 27109 1 147 . 1 . 1 164 164 GLU HB2 H 1 1.827 0.000 . 1 . . . . . 164 GLU HB2 . 27109 1 148 . 1 . 1 164 164 GLU HG2 H 1 2.137 0.000 . 1 . . . . . 164 GLU HG2 . 27109 1 149 . 1 . 1 164 164 GLU C C 13 173.408 0.000 . 1 . . . . . 164 GLU C . 27109 1 150 . 1 . 1 164 164 GLU CA C 13 53.628 0.000 . 1 . . . . . 164 GLU CA . 27109 1 151 . 1 . 1 164 164 GLU CB C 13 27.735 0.000 . 1 . . . . . 164 GLU CB . 27109 1 152 . 1 . 1 164 164 GLU CG C 13 33.498 0.000 . 1 . . . . . 164 GLU CG . 27109 1 153 . 1 . 1 164 164 GLU N N 15 122.025 0.000 . 1 . . . . . 164 GLU N . 27109 1 154 . 1 . 1 165 165 GLU H H 1 8.383 0.000 . 1 . . . . . 165 GLU H . 27109 1 155 . 1 . 1 165 165 GLU HA H 1 4.210 0.000 . 1 . . . . . 165 GLU HA . 27109 1 156 . 1 . 1 165 165 GLU HB2 H 1 1.938 0.000 . 1 . . . . . 165 GLU HB2 . 27109 1 157 . 1 . 1 165 165 GLU HG2 H 1 2.176 0.000 . 1 . . . . . 165 GLU HG2 . 27109 1 158 . 1 . 1 165 165 GLU C C 13 173.383 0.000 . 1 . . . . . 165 GLU C . 27109 1 159 . 1 . 1 165 165 GLU CA C 13 53.545 0.000 . 1 . . . . . 165 GLU CA . 27109 1 160 . 1 . 1 165 165 GLU CB C 13 27.735 0.000 . 1 . . . . . 165 GLU CB . 27109 1 161 . 1 . 1 165 165 GLU CG C 13 33.536 0.000 . 1 . . . . . 165 GLU CG . 27109 1 162 . 1 . 1 165 165 GLU N N 15 123.113 0.000 . 1 . . . . . 165 GLU N . 27109 1 163 . 1 . 1 166 166 LYS H H 1 8.325 0.000 . 1 . . . . . 166 LYS H . 27109 1 164 . 1 . 1 166 166 LYS HA H 1 4.552 0.000 . 1 . . . . . 166 LYS HA . 27109 1 165 . 1 . 1 166 166 LYS HB2 H 1 1.648 0.000 . 2 . . . . . 166 LYS HB2 . 27109 1 166 . 1 . 1 166 166 LYS HB3 H 1 1.742 0.000 . 2 . . . . . 166 LYS HB3 . 27109 1 167 . 1 . 1 166 166 LYS HG2 H 1 1.394 0.000 . 2 . . . . . 166 LYS HG2 . 27109 1 168 . 1 . 1 166 166 LYS HG3 H 1 1.371 0.000 . 2 . . . . . 166 LYS HG3 . 27109 1 169 . 1 . 1 166 166 LYS C C 13 171.660 0.000 . 1 . . . . . 166 LYS C . 27109 1 170 . 1 . 1 166 166 LYS CA C 13 51.327 0.000 . 1 . . . . . 166 LYS CA . 27109 1 171 . 1 . 1 166 166 LYS CB C 13 29.854 0.000 . 1 . . . . . 166 LYS CB . 27109 1 172 . 1 . 1 166 166 LYS CG C 13 21.815 0.000 . 1 . . . . . 166 LYS CG . 27109 1 173 . 1 . 1 166 166 LYS N N 15 123.773 0.000 . 1 . . . . . 166 LYS N . 27109 1 174 . 1 . 1 168 168 THR H H 1 8.283 0.000 . 1 . . . . . 168 THR H . 27109 1 175 . 1 . 1 168 168 THR HA H 1 4.261 0.000 . 1 . . . . . 168 THR HA . 27109 1 176 . 1 . 1 168 168 THR HB H 1 4.164 0.000 . 1 . . . . . 168 THR HB . 27109 1 177 . 1 . 1 168 168 THR HG21 H 1 1.167 0.000 . 1 . . . . . 168 THR HG21 . 27109 1 178 . 1 . 1 168 168 THR HG22 H 1 1.167 0.000 . 1 . . . . . 168 THR HG22 . 27109 1 179 . 1 . 1 168 168 THR HG23 H 1 1.167 0.000 . 1 . . . . . 168 THR HG23 . 27109 1 180 . 1 . 1 168 168 THR C C 13 171.866 0.000 . 1 . . . . . 168 THR C . 27109 1 181 . 1 . 1 168 168 THR CA C 13 59.251 0.000 . 1 . . . . . 168 THR CA . 27109 1 182 . 1 . 1 168 168 THR CB C 13 67.142 0.000 . 1 . . . . . 168 THR CB . 27109 1 183 . 1 . 1 168 168 THR CG2 C 13 18.760 0.000 . 1 . . . . . 168 THR CG2 . 27109 1 184 . 1 . 1 168 168 THR N N 15 114.742 0.000 . 1 . . . . . 168 THR N . 27109 1 185 . 1 . 1 169 169 SER H H 1 8.171 0.000 . 1 . . . . . 169 SER H . 27109 1 186 . 1 . 1 169 169 SER HA H 1 4.398 0.000 . 1 . . . . . 169 SER HA . 27109 1 187 . 1 . 1 169 169 SER HB2 H 1 3.771 0.000 . 1 . . . . . 169 SER HB2 . 27109 1 188 . 1 . 1 169 169 SER C C 13 170.897 0.005 . 1 . . . . . 169 SER C . 27109 1 189 . 1 . 1 169 169 SER CA C 13 55.303 0.000 . 1 . . . . . 169 SER CA . 27109 1 190 . 1 . 1 169 169 SER CB C 13 61.300 0.000 . 1 . . . . . 169 SER CB . 27109 1 191 . 1 . 1 169 169 SER N N 15 117.914 0.000 . 1 . . . . . 169 SER N . 27109 1 192 . 1 . 1 170 170 ALA H H 1 8.261 0.000 . 1 . . . . . 170 ALA H . 27109 1 193 . 1 . 1 170 170 ALA HA H 1 4.548 0.000 . 1 . . . . . 170 ALA HA . 27109 1 194 . 1 . 1 170 170 ALA HB1 H 1 1.288 0.000 . 1 . . . . . 170 ALA HB1 . 27109 1 195 . 1 . 1 170 170 ALA HB2 H 1 1.288 0.000 . 1 . . . . . 170 ALA HB2 . 27109 1 196 . 1 . 1 170 170 ALA HB3 H 1 1.288 0.000 . 1 . . . . . 170 ALA HB3 . 27109 1 197 . 1 . 1 170 170 ALA C C 13 172.716 0.000 . 1 . . . . . 170 ALA C . 27109 1 198 . 1 . 1 170 170 ALA CA C 13 47.814 0.000 . 1 . . . . . 170 ALA CA . 27109 1 199 . 1 . 1 170 170 ALA CB C 13 15.484 0.000 . 1 . . . . . 170 ALA CB . 27109 1 200 . 1 . 1 170 170 ALA N N 15 127.108 0.000 . 1 . . . . . 170 ALA N . 27109 1 201 . 1 . 1 172 172 SER H H 1 8.405 0.000 . 1 . . . . . 172 SER H . 27109 1 202 . 1 . 1 172 172 SER HA H 1 4.396 0.000 . 1 . . . . . 172 SER HA . 27109 1 203 . 1 . 1 172 172 SER HB2 H 1 3.851 0.000 . 1 . . . . . 172 SER HB2 . 27109 1 204 . 1 . 1 172 172 SER C C 13 171.072 0.000 . 1 . . . . . 172 SER C . 27109 1 205 . 1 . 1 172 172 SER CA C 13 55.596 0.000 . 1 . . . . . 172 SER CA . 27109 1 206 . 1 . 1 172 172 SER CB C 13 61.243 0.000 . 1 . . . . . 172 SER CB . 27109 1 207 . 1 . 1 172 172 SER N N 15 116.550 0.000 . 1 . . . . . 172 SER N . 27109 1 208 . 1 . 1 173 173 SER H H 1 7.903 0.001 . 1 . . . . . 173 SER H . 27109 1 209 . 1 . 1 173 173 SER HA H 1 4.198 0.000 . 1 . . . . . 173 SER HA . 27109 1 210 . 1 . 1 173 173 SER HB2 H 1 3.783 0.000 . 1 . . . . . 173 SER HB2 . 27109 1 211 . 1 . 1 173 173 SER C C 13 175.826 0.000 . 1 . . . . . 173 SER C . 27109 1 212 . 1 . 1 173 173 SER CA C 13 57.268 0.000 . 1 . . . . . 173 SER CA . 27109 1 213 . 1 . 1 173 173 SER CB C 13 62.130 0.000 . 1 . . . . . 173 SER CB . 27109 1 214 . 1 . 1 173 173 SER N N 15 122.842 0.003 . 1 . . . . . 173 SER N . 27109 1 stop_ save_