################################### # 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 30180 _Assigned_chem_shift_list.ID 1 _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-1H TOCSY' . . . 30180 1 2 '2D DQF-COSY' . . . 30180 1 3 '2D 1H-1H NOESY' . . . 30180 1 4 '2D 1H-15N HSQC' . . . 30180 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_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.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 1 1 GLY HA2 H 1 3.917 0.002 . . . . . A 1 GLY HA2 . 30180 1 2 . 1 1 1 1 GLY HA3 H 1 3.917 0.002 . . . . . A 1 GLY HA3 . 30180 1 3 . 1 1 1 1 GLY H H 1 8.266 0.002 . . . . . A 1 GLY H . 30180 1 4 . 1 1 1 1 GLY CA C 13 44.939 0.400 . . . . . A 1 GLY CA . 30180 1 5 . 1 1 1 1 GLY N N 15 114.838 0.400 . . . . . A 1 GLY N . 30180 1 6 . 1 1 2 2 ASP H H 1 8.266 0.002 . . . . . A 2 ASP H . 30180 1 7 . 1 1 2 2 ASP HA H 1 4.678 0.002 . . . . . A 2 ASP HA . 30180 1 8 . 1 1 2 2 ASP HB2 H 1 2.818 0.002 . . . . . A 2 ASP HB2 . 30180 1 9 . 1 1 2 2 ASP HB3 H 1 2.909 0.002 . . . . . A 2 ASP HB3 . 30180 1 10 . 1 1 2 2 ASP N N 15 120.518 0.400 . . . . . A 2 ASP N . 30180 1 11 . 1 1 3 3 GLU H H 1 8.711 0.002 . . . . . A 3 GLU H . 30180 1 12 . 1 1 3 3 GLU HA H 1 4.139 0.002 . . . . . A 3 GLU HA . 30180 1 13 . 1 1 3 3 GLU HB2 H 1 2.154 0.002 . . . . . A 3 GLU HB2 . 30180 1 14 . 1 1 3 3 GLU HB3 H 1 2.154 0.002 . . . . . A 3 GLU HB3 . 30180 1 15 . 1 1 3 3 GLU HG2 H 1 2.518 0.002 . . . . . A 3 GLU HG2 . 30180 1 16 . 1 1 3 3 GLU HG3 H 1 2.436 0.002 . . . . . A 3 GLU HG3 . 30180 1 17 . 1 1 3 3 GLU CA C 13 59.230 0.400 . . . . . A 3 GLU CA . 30180 1 18 . 1 1 3 3 GLU N N 15 120.970 0.400 . . . . . A 3 GLU N . 30180 1 19 . 1 1 4 4 ARG H H 1 8.213 0.001 . . . . . A 4 ARG H . 30180 1 20 . 1 1 4 4 ARG HA H 1 4.006 0.002 . . . . . A 4 ARG HA . 30180 1 21 . 1 1 4 4 ARG HB2 H 1 1.830 0.002 . . . . . A 4 ARG HB2 . 30180 1 22 . 1 1 4 4 ARG HB3 H 1 1.830 0.002 . . . . . A 4 ARG HB3 . 30180 1 23 . 1 1 4 4 ARG HG2 H 1 1.598 0.001 . . . . . A 4 ARG HG2 . 30180 1 24 . 1 1 4 4 ARG HG3 H 1 1.598 0.002 . . . . . A 4 ARG HG3 . 30180 1 25 . 1 1 4 4 ARG HD2 H 1 3.199 0.002 . . . . . A 4 ARG HD2 . 30180 1 26 . 1 1 4 4 ARG HD3 H 1 3.199 0.002 . . . . . A 4 ARG HD3 . 30180 1 27 . 1 1 4 4 ARG HE H 1 7.463 0.002 . . . . . A 4 ARG HE . 30180 1 28 . 1 1 4 4 ARG CA C 13 58.807 0.400 . . . . . A 4 ARG CA . 30180 1 29 . 1 1 4 4 ARG N N 15 119.939 0.400 . . . . . A 4 ARG N . 30180 1 30 . 1 1 5 5 PHE H H 1 7.954 0.002 . . . . . A 5 PHE H . 30180 1 31 . 1 1 5 5 PHE HA H 1 4.283 0.002 . . . . . A 5 PHE HA . 30180 1 32 . 1 1 5 5 PHE HB2 H 1 3.023 0.002 . . . . . A 5 PHE HB2 . 30180 1 33 . 1 1 5 5 PHE HB3 H 1 3.181 0.002 . . . . . A 5 PHE HB3 . 30180 1 34 . 1 1 5 5 PHE HD1 H 1 6.877 0.002 . . . . . A 5 PHE HD1 . 30180 1 35 . 1 1 5 5 PHE HD2 H 1 6.877 0.002 . . . . . A 5 PHE HD2 . 30180 1 36 . 1 1 5 5 PHE HE1 H 1 7.126 0.002 . . . . . A 5 PHE HE1 . 30180 1 37 . 1 1 5 5 PHE HE2 H 1 7.126 0.002 . . . . . A 5 PHE HE2 . 30180 1 38 . 1 1 5 5 PHE HZ H 1 7.080 0.002 . . . . . A 5 PHE HZ . 30180 1 39 . 1 1 5 5 PHE CA C 13 60.772 0.400 . . . . . A 5 PHE CA . 30180 1 40 . 1 1 5 5 PHE N N 15 120.140 0.400 . . . . . A 5 PHE N . 30180 1 41 . 1 1 6 6 TYR H H 1 8.071 0.002 . . . . . A 6 TYR H . 30180 1 42 . 1 1 6 6 TYR HA H 1 4.136 0.001 . . . . . A 6 TYR HA . 30180 1 43 . 1 1 6 6 TYR HB2 H 1 3.039 0.002 . . . . . A 6 TYR HB2 . 30180 1 44 . 1 1 6 6 TYR HB3 H 1 3.039 0.002 . . . . . A 6 TYR HB3 . 30180 1 45 . 1 1 6 6 TYR HD1 H 1 7.113 0.002 . . . . . A 6 TYR HD1 . 30180 1 46 . 1 1 6 6 TYR HD2 H 1 7.113 0.002 . . . . . A 6 TYR HD2 . 30180 1 47 . 1 1 6 6 TYR HE1 H 1 6.834 0.002 . . . . . A 6 TYR HE1 . 30180 1 48 . 1 1 6 6 TYR HE2 H 1 6.824 0.002 . . . . . A 6 TYR HE2 . 30180 1 49 . 1 1 6 6 TYR CB C 13 38.361 0.400 . . . . . A 6 TYR CB . 30180 1 50 . 1 1 6 6 TYR N N 15 119.497 0.400 . . . . . A 6 TYR N . 30180 1 51 . 1 1 7 7 ALA H H 1 8.337 0.002 . . . . . A 7 ALA H . 30180 1 52 . 1 1 7 7 ALA HA H 1 3.994 0.002 . . . . . A 7 ALA HA . 30180 1 53 . 1 1 7 7 ALA HB1 H 1 1.497 0.003 . . . . . A 7 ALA HB1 . 30180 1 54 . 1 1 7 7 ALA HB2 H 1 1.497 0.003 . . . . . A 7 ALA HB2 . 30180 1 55 . 1 1 7 7 ALA HB3 H 1 1.497 0.003 . . . . . A 7 ALA HB3 . 30180 1 56 . 1 1 7 7 ALA CA C 13 55.242 0.400 . . . . . A 7 ALA CA . 30180 1 57 . 1 1 7 7 ALA CB C 13 18.393 0.400 . . . . . A 7 ALA CB . 30180 1 58 . 1 1 7 7 ALA N N 15 122.096 0.400 . . . . . A 7 ALA N . 30180 1 59 . 1 1 8 8 GLU H H 1 8.178 0.002 . . . . . A 8 GLU H . 30180 1 60 . 1 1 8 8 GLU HA H 1 4.025 0.002 . . . . . A 8 GLU HA . 30180 1 61 . 1 1 8 8 GLU HB2 H 1 1.884 0.002 . . . . . A 8 GLU HB2 . 30180 1 62 . 1 1 8 8 GLU HB3 H 1 2.009 0.002 . . . . . A 8 GLU HB3 . 30180 1 63 . 1 1 8 8 GLU HG2 H 1 2.347 0.002 . . . . . A 8 GLU HG2 . 30180 1 64 . 1 1 8 8 GLU HG3 H 1 2.431 0.002 . . . . . A 8 GLU HG3 . 30180 1 65 . 1 1 8 8 GLU CA C 13 57.888 0.400 . . . . . A 8 GLU CA . 30180 1 66 . 1 1 8 8 GLU N N 15 122.008 0.400 . . . . . A 8 GLU N . 30180 1 67 . 1 1 9 9 HIS H H 1 7.734 0.002 . . . . . A 9 HIS H . 30180 1 68 . 1 1 9 9 HIS HA H 1 4.502 0.002 . . . . . A 9 HIS HA . 30180 1 69 . 1 1 9 9 HIS HB2 H 1 3.174 0.002 . . . . . A 9 HIS HB2 . 30180 1 70 . 1 1 9 9 HIS HB3 H 1 2.818 0.001 . . . . . A 9 HIS HB3 . 30180 1 71 . 1 1 9 9 HIS HD2 H 1 6.997 0.002 . . . . . A 9 HIS HD2 . 30180 1 72 . 1 1 9 9 HIS CA C 13 56.857 0.400 . . . . . A 9 HIS CA . 30180 1 73 . 1 1 9 9 HIS CB C 13 29.029 0.400 . . . . . A 9 HIS CB . 30180 1 74 . 1 1 9 9 HIS N N 15 114.759 0.400 . . . . . A 9 HIS N . 30180 1 75 . 1 1 10 10 LEU H H 1 7.964 0.002 . . . . . A 10 LEU H . 30180 1 76 . 1 1 10 10 LEU HA H 1 4.311 0.002 . . . . . A 10 LEU HA . 30180 1 77 . 1 1 10 10 LEU HB2 H 1 1.794 0.001 . . . . . A 10 LEU HB2 . 30180 1 78 . 1 1 10 10 LEU HB3 H 1 1.736 0.002 . . . . . A 10 LEU HB3 . 30180 1 79 . 1 1 10 10 LEU HG H 1 1.650 0.001 . . . . . A 10 LEU HG . 30180 1 80 . 1 1 10 10 LEU HD11 H 1 0.938 0.002 . . . . . A 10 LEU HD11 . 30180 1 81 . 1 1 10 10 LEU HD12 H 1 0.938 0.002 . . . . . A 10 LEU HD12 . 30180 1 82 . 1 1 10 10 LEU HD13 H 1 0.938 0.002 . . . . . A 10 LEU HD13 . 30180 1 83 . 1 1 10 10 LEU HD21 H 1 0.904 0.002 . . . . . A 10 LEU HD21 . 30180 1 84 . 1 1 10 10 LEU HD22 H 1 0.904 0.002 . . . . . A 10 LEU HD22 . 30180 1 85 . 1 1 10 10 LEU HD23 H 1 0.904 0.002 . . . . . A 10 LEU HD23 . 30180 1 86 . 1 1 10 10 LEU CA C 13 56.829 0.400 . . . . . A 10 LEU CA . 30180 1 87 . 1 1 10 10 LEU CB C 13 42.213 0.002 . . . . . A 10 LEU CB . 30180 1 88 . 1 1 10 10 LEU N N 15 121.211 0.400 . . . . . A 10 LEU N . 30180 1 89 . 1 1 11 11 MET H H 1 8.223 0.002 . . . . . A 11 MET H . 30180 1 90 . 1 1 11 11 MET HA H 1 4.368 0.002 . . . . . A 11 MET HA . 30180 1 91 . 1 1 11 11 MET HB2 H 1 2.141 0.002 . . . . . A 11 MET HB2 . 30180 1 92 . 1 1 11 11 MET HB3 H 1 2.141 0.002 . . . . . A 11 MET HB3 . 30180 1 93 . 1 1 11 11 MET HG2 H 1 2.653 0.002 . . . . . A 11 MET HG2 . 30180 1 94 . 1 1 11 11 MET HG3 H 1 2.567 0.002 . . . . . A 11 MET HG3 . 30180 1 95 . 1 1 11 11 MET CA C 13 59.330 0.400 . . . . . A 11 MET CA . 30180 1 96 . 1 1 11 11 MET N N 15 119.050 0.400 . . . . . A 11 MET N . 30180 1 97 . 1 1 12 12 PRO HA H 1 4.374 0.002 . . . . . A 12 PRO HA . 30180 1 98 . 1 1 12 12 PRO HB2 H 1 2.323 0.002 . . . . . A 12 PRO HB2 . 30180 1 99 . 1 1 12 12 PRO HB3 H 1 1.845 0.002 . . . . . A 12 PRO HB3 . 30180 1 100 . 1 1 12 12 PRO HG2 H 1 1.924 0.002 . . . . . A 12 PRO HG2 . 30180 1 101 . 1 1 12 12 PRO HG3 H 1 2.046 0.002 . . . . . A 12 PRO HG3 . 30180 1 102 . 1 1 12 12 PRO HD2 H 1 3.647 0.002 . . . . . A 12 PRO HD2 . 30180 1 103 . 1 1 12 12 PRO HD3 H 1 3.452 0.002 . . . . . A 12 PRO HD3 . 30180 1 104 . 1 1 12 12 PRO CB C 13 31.217 0.400 . . . . . A 12 PRO CB . 30180 1 105 . 1 1 13 13 THR H H 1 7.340 0.002 . . . . . A 13 THR H . 30180 1 106 . 1 1 13 13 THR HA H 1 4.030 0.002 . . . . . A 13 THR HA . 30180 1 107 . 1 1 13 13 THR HB H 1 4.248 0.002 . . . . . A 13 THR HB . 30180 1 108 . 1 1 13 13 THR HG21 H 1 1.218 0.002 . . . . . A 13 THR HG21 . 30180 1 109 . 1 1 13 13 THR HG22 H 1 1.218 0.002 . . . . . A 13 THR HG22 . 30180 1 110 . 1 1 13 13 THR HG23 H 1 1.218 0.002 . . . . . A 13 THR HG23 . 30180 1 111 . 1 1 13 13 THR CA C 13 65.373 0.400 . . . . . A 13 THR CA . 30180 1 112 . 1 1 13 13 THR CB C 13 68.959 0.400 . . . . . A 13 THR CB . 30180 1 113 . 1 1 13 13 THR N N 15 114.709 0.400 . . . . . A 13 THR N . 30180 1 114 . 1 1 14 14 LEU H H 1 7.983 0.002 . . . . . A 14 LEU H . 30180 1 115 . 1 1 14 14 LEU HA H 1 4.061 0.002 . . . . . A 14 LEU HA . 30180 1 116 . 1 1 14 14 LEU HB2 H 1 1.850 0.002 . . . . . A 14 LEU HB2 . 30180 1 117 . 1 1 14 14 LEU HB3 H 1 1.555 0.002 . . . . . A 14 LEU HB3 . 30180 1 118 . 1 1 14 14 LEU HG H 1 1.794 0.001 . . . . . A 14 LEU HG . 30180 1 119 . 1 1 14 14 LEU HD11 H 1 0.817 0.002 . . . . . A 14 LEU HD11 . 30180 1 120 . 1 1 14 14 LEU HD12 H 1 0.817 0.002 . . . . . A 14 LEU HD12 . 30180 1 121 . 1 1 14 14 LEU HD13 H 1 0.817 0.002 . . . . . A 14 LEU HD13 . 30180 1 122 . 1 1 14 14 LEU HD21 H 1 0.878 0.002 . . . . . A 14 LEU HD21 . 30180 1 123 . 1 1 14 14 LEU HD22 H 1 0.878 0.002 . . . . . A 14 LEU HD22 . 30180 1 124 . 1 1 14 14 LEU HD23 H 1 0.878 0.002 . . . . . A 14 LEU HD23 . 30180 1 125 . 1 1 14 14 LEU CA C 13 57.263 0.400 . . . . . A 14 LEU CA . 30180 1 126 . 1 1 14 14 LEU CB C 13 42.321 0.400 . . . . . A 14 LEU CB . 30180 1 127 . 1 1 14 14 LEU N N 15 121.542 0.400 . . . . . A 14 LEU N . 30180 1 128 . 1 1 15 15 GLN H H 1 8.311 0.002 . . . . . A 15 GLN H . 30180 1 129 . 1 1 15 15 GLN HA H 1 3.950 0.002 . . . . . A 15 GLN HA . 30180 1 130 . 1 1 15 15 GLN HB2 H 1 2.099 0.002 . . . . . A 15 GLN HB2 . 30180 1 131 . 1 1 15 15 GLN HB3 H 1 2.099 0.002 . . . . . A 15 GLN HB3 . 30180 1 132 . 1 1 15 15 GLN HG2 H 1 2.360 0.002 . . . . . A 15 GLN HG2 . 30180 1 133 . 1 1 15 15 GLN HG3 H 1 2.412 0.002 . . . . . A 15 GLN HG3 . 30180 1 134 . 1 1 15 15 GLN HE21 H 1 7.383 0.002 . . . . . A 15 GLN HE21 . 30180 1 135 . 1 1 15 15 GLN HE22 H 1 6.730 0.002 . . . . . A 15 GLN HE22 . 30180 1 136 . 1 1 15 15 GLN CA C 13 58.658 0.400 . . . . . A 15 GLN CA . 30180 1 137 . 1 1 15 15 GLN N N 15 117.477 0.400 . . . . . A 15 GLN N . 30180 1 138 . 1 1 16 16 GLY H H 1 7.847 0.002 . . . . . A 16 GLY H . 30180 1 139 . 1 1 16 16 GLY HA2 H 1 3.886 0.002 . . . . . A 16 GLY HA2 . 30180 1 140 . 1 1 16 16 GLY HA3 H 1 4.051 0.002 . . . . . A 16 GLY HA3 . 30180 1 141 . 1 1 16 16 GLY CA C 13 45.624 0.400 . . . . . A 16 GLY CA . 30180 1 142 . 1 1 16 16 GLY N N 15 106.387 0.400 . . . . . A 16 GLY N . 30180 1 143 . 1 1 17 17 LEU H H 1 7.574 0.002 . . . . . A 17 LEU H . 30180 1 144 . 1 1 17 17 LEU HA H 1 4.294 0.002 . . . . . A 17 LEU HA . 30180 1 145 . 1 1 17 17 LEU HB2 H 1 1.568 0.001 . . . . . A 17 LEU HB2 . 30180 1 146 . 1 1 17 17 LEU HB3 H 1 1.850 0.001 . . . . . A 17 LEU HB3 . 30180 1 147 . 1 1 17 17 LEU HG H 1 1.850 0.002 . . . . . A 17 LEU HG . 30180 1 148 . 1 1 17 17 LEU HD11 H 1 0.875 0.002 . . . . . A 17 LEU HD11 . 30180 1 149 . 1 1 17 17 LEU HD12 H 1 0.875 0.002 . . . . . A 17 LEU HD12 . 30180 1 150 . 1 1 17 17 LEU HD13 H 1 0.875 0.002 . . . . . A 17 LEU HD13 . 30180 1 151 . 1 1 17 17 LEU HD21 H 1 0.875 0.002 . . . . . A 17 LEU HD21 . 30180 1 152 . 1 1 17 17 LEU HD22 H 1 0.875 0.002 . . . . . A 17 LEU HD22 . 30180 1 153 . 1 1 17 17 LEU HD23 H 1 0.875 0.002 . . . . . A 17 LEU HD23 . 30180 1 154 . 1 1 17 17 LEU CA C 13 55.945 0.400 . . . . . A 17 LEU CA . 30180 1 155 . 1 1 17 17 LEU N N 15 120.326 0.400 . . . . . A 17 LEU N . 30180 1 156 . 1 1 18 18 LEU H H 1 7.444 0.002 . . . . . A 18 LEU H . 30180 1 157 . 1 1 18 18 LEU HA H 1 4.495 0.002 . . . . . A 18 LEU HA . 30180 1 158 . 1 1 18 18 LEU HB2 H 1 1.563 0.002 . . . . . A 18 LEU HB2 . 30180 1 159 . 1 1 18 18 LEU HB3 H 1 1.712 0.002 . . . . . A 18 LEU HB3 . 30180 1 160 . 1 1 18 18 LEU HG H 1 1.631 0.002 . . . . . A 18 LEU HG . 30180 1 161 . 1 1 18 18 LEU HD11 H 1 0.838 0.002 . . . . . A 18 LEU HD11 . 30180 1 162 . 1 1 18 18 LEU HD12 H 1 0.838 0.002 . . . . . A 18 LEU HD12 . 30180 1 163 . 1 1 18 18 LEU HD13 H 1 0.838 0.002 . . . . . A 18 LEU HD13 . 30180 1 164 . 1 1 18 18 LEU HD21 H 1 0.838 0.002 . . . . . A 18 LEU HD21 . 30180 1 165 . 1 1 18 18 LEU HD22 H 1 0.838 0.002 . . . . . A 18 LEU HD22 . 30180 1 166 . 1 1 18 18 LEU HD23 H 1 0.838 0.002 . . . . . A 18 LEU HD23 . 30180 1 167 . 1 1 18 18 LEU CA C 13 53.507 0.400 . . . . . A 18 LEU CA . 30180 1 168 . 1 1 18 18 LEU N N 15 116.872 0.400 . . . . . A 18 LEU N . 30180 1 169 . 1 1 19 19 ASP H H 1 8.186 0.002 . . . . . A 19 ASP H . 30180 1 170 . 1 1 19 19 ASP HA H 1 4.873 0.002 . . . . . A 19 ASP HA . 30180 1 171 . 1 1 19 19 ASP HB2 H 1 2.874 0.002 . . . . . A 19 ASP HB2 . 30180 1 172 . 1 1 19 19 ASP HB3 H 1 2.971 0.002 . . . . . A 19 ASP HB3 . 30180 1 173 . 1 1 19 19 ASP CA C 13 51.952 0.400 . . . . . A 19 ASP CA . 30180 1 174 . 1 1 19 19 ASP CB C 13 37.672 0.400 . . . . . A 19 ASP CB . 30180 1 175 . 1 1 19 19 ASP N N 15 114.964 0.400 . . . . . A 19 ASP N . 30180 1 176 . 1 1 20 20 PRO HA H 1 4.246 0.002 . . . . . A 20 PRO HA . 30180 1 177 . 1 1 20 20 PRO HB2 H 1 2.404 0.002 . . . . . A 20 PRO HB2 . 30180 1 178 . 1 1 20 20 PRO HB3 H 1 1.993 0.002 . . . . . A 20 PRO HB3 . 30180 1 179 . 1 1 20 20 PRO HG2 H 1 2.049 0.002 . . . . . A 20 PRO HG2 . 30180 1 180 . 1 1 20 20 PRO HG3 H 1 2.211 0.002 . . . . . A 20 PRO HG3 . 30180 1 181 . 1 1 20 20 PRO HD2 H 1 3.948 0.002 . . . . . A 20 PRO HD2 . 30180 1 182 . 1 1 20 20 PRO HD3 H 1 3.880 0.002 . . . . . A 20 PRO HD3 . 30180 1 183 . 1 1 20 20 PRO CB C 13 32.515 0.400 . . . . . A 20 PRO CB . 30180 1 184 . 1 1 21 21 GLU H H 1 8.442 0.002 . . . . . A 21 GLU H . 30180 1 185 . 1 1 21 21 GLU HA H 1 4.279 0.002 . . . . . A 21 GLU HA . 30180 1 186 . 1 1 21 21 GLU HB2 H 1 2.154 0.002 . . . . . A 21 GLU HB2 . 30180 1 187 . 1 1 21 21 GLU HB3 H 1 2.154 0.002 . . . . . A 21 GLU HB3 . 30180 1 188 . 1 1 21 21 GLU HG2 H 1 2.466 0.001 . . . . . A 21 GLU HG2 . 30180 1 189 . 1 1 21 21 GLU HG3 H 1 2.466 0.002 . . . . . A 21 GLU HG3 . 30180 1 190 . 1 1 21 21 GLU CA C 13 58.785 0.400 . . . . . A 21 GLU CA . 30180 1 191 . 1 1 21 21 GLU N N 15 118.402 0.400 . . . . . A 21 GLU N . 30180 1 192 . 1 1 22 22 SER H H 1 8.221 0.002 . . . . . A 22 SER H . 30180 1 193 . 1 1 22 22 SER HA H 1 4.219 0.002 . . . . . A 22 SER HA . 30180 1 194 . 1 1 22 22 SER HB2 H 1 3.877 0.002 . . . . . A 22 SER HB2 . 30180 1 195 . 1 1 22 22 SER HB3 H 1 4.052 0.002 . . . . . A 22 SER HB3 . 30180 1 196 . 1 1 22 22 SER CA C 13 63.128 0.400 . . . . . A 22 SER CA . 30180 1 197 . 1 1 22 22 SER CB C 13 61.523 0.400 . . . . . A 22 SER CB . 30180 1 198 . 1 1 22 22 SER N N 15 118.854 0.400 . . . . . A 22 SER N . 30180 1 199 . 1 1 23 23 ALA H H 1 8.374 0.002 . . . . . A 23 ALA H . 30180 1 200 . 1 1 23 23 ALA HA H 1 3.987 0.002 . . . . . A 23 ALA HA . 30180 1 201 . 1 1 23 23 ALA HB1 H 1 1.448 0.002 . . . . . A 23 ALA HB1 . 30180 1 202 . 1 1 23 23 ALA HB2 H 1 1.448 0.002 . . . . . A 23 ALA HB2 . 30180 1 203 . 1 1 23 23 ALA HB3 H 1 1.448 0.002 . . . . . A 23 ALA HB3 . 30180 1 204 . 1 1 23 23 ALA CA C 13 55.227 0.400 . . . . . A 23 ALA CA . 30180 1 205 . 1 1 23 23 ALA CB C 13 18.687 0.400 . . . . . A 23 ALA CB . 30180 1 206 . 1 1 23 23 ALA N N 15 124.022 0.400 . . . . . A 23 ALA N . 30180 1 207 . 1 1 24 24 HIS H H 1 8.372 0.002 . . . . . A 24 HIS H . 30180 1 208 . 1 1 24 24 HIS HA H 1 4.388 0.002 . . . . . A 24 HIS HA . 30180 1 209 . 1 1 24 24 HIS HB2 H 1 3.389 0.002 . . . . . A 24 HIS HB2 . 30180 1 210 . 1 1 24 24 HIS HB3 H 1 3.389 0.002 . . . . . A 24 HIS HB3 . 30180 1 211 . 1 1 24 24 HIS HD2 H 1 7.291 0.002 . . . . . A 24 HIS HD2 . 30180 1 212 . 1 1 24 24 HIS CA C 13 58.768 0.400 . . . . . A 24 HIS CA . 30180 1 213 . 1 1 24 24 HIS CB C 13 28.304 0.400 . . . . . A 24 HIS CB . 30180 1 214 . 1 1 24 24 HIS N N 15 116.388 0.400 . . . . . A 24 HIS N . 30180 1 215 . 1 1 25 25 ARG H H 1 8.065 0.003 . . . . . A 25 ARG H . 30180 1 216 . 1 1 25 25 ARG HA H 1 3.914 0.002 . . . . . A 25 ARG HA . 30180 1 217 . 1 1 25 25 ARG HB2 H 1 2.014 0.002 . . . . . A 25 ARG HB2 . 30180 1 218 . 1 1 25 25 ARG HB3 H 1 1.919 0.002 . . . . . A 25 ARG HB3 . 30180 1 219 . 1 1 25 25 ARG HG2 H 1 1.657 0.002 . . . . . A 25 ARG HG2 . 30180 1 220 . 1 1 25 25 ARG HG3 H 1 1.657 0.002 . . . . . A 25 ARG HG3 . 30180 1 221 . 1 1 25 25 ARG HD2 H 1 3.248 0.002 . . . . . A 25 ARG HD2 . 30180 1 222 . 1 1 25 25 ARG HD3 H 1 3.248 0.002 . . . . . A 25 ARG HD3 . 30180 1 223 . 1 1 25 25 ARG HE H 1 7.538 0.002 . . . . . A 25 ARG HE . 30180 1 224 . 1 1 25 25 ARG CA C 13 59.291 0.400 . . . . . A 25 ARG CA . 30180 1 225 . 1 1 25 25 ARG CB C 13 30.500 0.002 . . . . . A 25 ARG CB . 30180 1 226 . 1 1 25 25 ARG N N 15 119.004 0.400 . . . . . A 25 ARG N . 30180 1 227 . 1 1 26 26 LEU H H 1 8.014 0.002 . . . . . A 26 LEU H . 30180 1 228 . 1 1 26 26 LEU HA H 1 4.042 0.002 . . . . . A 26 LEU HA . 30180 1 229 . 1 1 26 26 LEU HB2 H 1 1.857 0.002 . . . . . A 26 LEU HB2 . 30180 1 230 . 1 1 26 26 LEU HB3 H 1 1.610 0.002 . . . . . A 26 LEU HB3 . 30180 1 231 . 1 1 26 26 LEU HG H 1 1.790 0.002 . . . . . A 26 LEU HG . 30180 1 232 . 1 1 26 26 LEU HD11 H 1 0.899 0.002 . . . . . A 26 LEU HD11 . 30180 1 233 . 1 1 26 26 LEU HD12 H 1 0.899 0.002 . . . . . A 26 LEU HD12 . 30180 1 234 . 1 1 26 26 LEU HD13 H 1 0.899 0.002 . . . . . A 26 LEU HD13 . 30180 1 235 . 1 1 26 26 LEU HD21 H 1 0.899 0.002 . . . . . A 26 LEU HD21 . 30180 1 236 . 1 1 26 26 LEU HD22 H 1 0.899 0.002 . . . . . A 26 LEU HD22 . 30180 1 237 . 1 1 26 26 LEU HD23 H 1 0.899 0.002 . . . . . A 26 LEU HD23 . 30180 1 238 . 1 1 26 26 LEU CA C 13 57.779 0.400 . . . . . A 26 LEU CA . 30180 1 239 . 1 1 26 26 LEU CB C 13 43.493 0.400 . . . . . A 26 LEU CB . 30180 1 240 . 1 1 26 26 LEU N N 15 120.401 0.400 . . . . . A 26 LEU N . 30180 1 241 . 1 1 27 27 ALA H H 1 8.114 0.002 . . . . . A 27 ALA H . 30180 1 242 . 1 1 27 27 ALA HA H 1 4.016 0.002 . . . . . A 27 ALA HA . 30180 1 243 . 1 1 27 27 ALA HB1 H 1 1.518 0.002 . . . . . A 27 ALA HB1 . 30180 1 244 . 1 1 27 27 ALA HB2 H 1 1.518 0.002 . . . . . A 27 ALA HB2 . 30180 1 245 . 1 1 27 27 ALA HB3 H 1 1.518 0.002 . . . . . A 27 ALA HB3 . 30180 1 246 . 1 1 27 27 ALA CA C 13 55.329 0.400 . . . . . A 27 ALA CA . 30180 1 247 . 1 1 27 27 ALA CB C 13 18.998 0.002 . . . . . A 27 ALA CB . 30180 1 248 . 1 1 27 27 ALA N N 15 121.978 0.400 . . . . . A 27 ALA N . 30180 1 249 . 1 1 28 28 VAL H H 1 7.912 0.002 . . . . . A 28 VAL H . 30180 1 250 . 1 1 28 28 VAL HA H 1 3.750 0.002 . . . . . A 28 VAL HA . 30180 1 251 . 1 1 28 28 VAL HB H 1 2.029 0.002 . . . . . A 28 VAL HB . 30180 1 252 . 1 1 28 28 VAL HG11 H 1 0.859 0.002 . . . . . A 28 VAL HG11 . 30180 1 253 . 1 1 28 28 VAL HG12 H 1 0.859 0.002 . . . . . A 28 VAL HG12 . 30180 1 254 . 1 1 28 28 VAL HG13 H 1 0.859 0.002 . . . . . A 28 VAL HG13 . 30180 1 255 . 1 1 28 28 VAL HG21 H 1 0.818 0.002 . . . . . A 28 VAL HG21 . 30180 1 256 . 1 1 28 28 VAL HG22 H 1 0.818 0.002 . . . . . A 28 VAL HG22 . 30180 1 257 . 1 1 28 28 VAL HG23 H 1 0.818 0.002 . . . . . A 28 VAL HG23 . 30180 1 258 . 1 1 28 28 VAL CA C 13 61.656 0.400 . . . . . A 28 VAL CA . 30180 1 259 . 1 1 28 28 VAL CB C 13 32.038 0.400 . . . . . A 28 VAL CB . 30180 1 260 . 1 1 28 28 VAL N N 15 117.235 0.400 . . . . . A 28 VAL N . 30180 1 261 . 1 1 29 29 ARG H H 1 7.736 0.002 . . . . . A 29 ARG H . 30180 1 262 . 1 1 29 29 ARG HA H 1 4.106 0.002 . . . . . A 29 ARG HA . 30180 1 263 . 1 1 29 29 ARG HB2 H 1 1.880 0.002 . . . . . A 29 ARG HB2 . 30180 1 264 . 1 1 29 29 ARG HB3 H 1 1.772 0.002 . . . . . A 29 ARG HB3 . 30180 1 265 . 1 1 29 29 ARG HG2 H 1 1.493 0.002 . . . . . A 29 ARG HG2 . 30180 1 266 . 1 1 29 29 ARG HG3 H 1 1.493 0.002 . . . . . A 29 ARG HG3 . 30180 1 267 . 1 1 29 29 ARG HD2 H 1 3.041 0.002 . . . . . A 29 ARG HD2 . 30180 1 268 . 1 1 29 29 ARG HD3 H 1 3.127 0.002 . . . . . A 29 ARG HD3 . 30180 1 269 . 1 1 29 29 ARG HE H 1 7.542 0.002 . . . . . A 29 ARG HE . 30180 1 270 . 1 1 29 29 ARG CA C 13 57.824 0.400 . . . . . A 29 ARG CA . 30180 1 271 . 1 1 29 29 ARG CB C 13 30.142 0.400 . . . . . A 29 ARG CB . 30180 1 272 . 1 1 29 29 ARG N N 15 121.156 0.400 . . . . . A 29 ARG N . 30180 1 273 . 1 1 30 30 PHE H H 1 8.279 0.002 . . . . . A 30 PHE H . 30180 1 274 . 1 1 30 30 PHE HA H 1 4.466 0.002 . . . . . A 30 PHE HA . 30180 1 275 . 1 1 30 30 PHE HB2 H 1 3.271 0.002 . . . . . A 30 PHE HB2 . 30180 1 276 . 1 1 30 30 PHE HB3 H 1 3.054 0.002 . . . . . A 30 PHE HB3 . 30180 1 277 . 1 1 30 30 PHE HD1 H 1 7.228 0.002 . . . . . A 30 PHE HD1 . 30180 1 278 . 1 1 30 30 PHE HD2 H 1 7.228 0.002 . . . . . A 30 PHE HD2 . 30180 1 279 . 1 1 30 30 PHE HE1 H 1 7.239 0.002 . . . . . A 30 PHE HE1 . 30180 1 280 . 1 1 30 30 PHE HE2 H 1 7.239 0.002 . . . . . A 30 PHE HE2 . 30180 1 281 . 1 1 30 30 PHE HZ H 1 7.183 0.002 . . . . . A 30 PHE HZ . 30180 1 282 . 1 1 30 30 PHE CA C 13 59.783 0.400 . . . . . A 30 PHE CA . 30180 1 283 . 1 1 30 30 PHE CB C 13 39.756 0.400 . . . . . A 30 PHE CB . 30180 1 284 . 1 1 30 30 PHE N N 15 118.167 0.400 . . . . . A 30 PHE N . 30180 1 285 . 1 1 31 31 THR H H 1 8.048 0.002 . . . . . A 31 THR H . 30180 1 286 . 1 1 31 31 THR HA H 1 4.161 0.002 . . . . . A 31 THR HA . 30180 1 287 . 1 1 31 31 THR HB H 1 4.356 0.002 . . . . . A 31 THR HB . 30180 1 288 . 1 1 31 31 THR HG21 H 1 1.331 0.002 . . . . . A 31 THR HG21 . 30180 1 289 . 1 1 31 31 THR HG22 H 1 1.331 0.002 . . . . . A 31 THR HG22 . 30180 1 290 . 1 1 31 31 THR HG23 H 1 1.331 0.002 . . . . . A 31 THR HG23 . 30180 1 291 . 1 1 31 31 THR CA C 13 64.446 0.400 . . . . . A 31 THR CA . 30180 1 292 . 1 1 31 31 THR CB C 13 69.594 0.400 . . . . . A 31 THR CB . 30180 1 293 . 1 1 31 31 THR N N 15 112.576 0.002 . . . . . A 31 THR N . 30180 1 294 . 1 1 32 32 SER H H 1 8.091 0.002 . . . . . A 32 SER H . 30180 1 295 . 1 1 32 32 SER HA H 1 4.402 0.002 . . . . . A 32 SER HA . 30180 1 296 . 1 1 32 32 SER HB2 H 1 3.964 0.002 . . . . . A 32 SER HB2 . 30180 1 297 . 1 1 32 32 SER HB3 H 1 3.964 0.002 . . . . . A 32 SER HB3 . 30180 1 298 . 1 1 32 32 SER CA C 13 62.647 0.400 . . . . . A 32 SER CA . 30180 1 299 . 1 1 32 32 SER CB C 13 63.672 0.400 . . . . . A 32 SER CB . 30180 1 300 . 1 1 32 32 SER N N 15 117.477 0.400 . . . . . A 32 SER N . 30180 1 301 . 1 1 33 33 LEU H H 1 7.719 0.002 . . . . . A 33 LEU H . 30180 1 302 . 1 1 33 33 LEU HA H 1 3.835 0.002 . . . . . A 33 LEU HA . 30180 1 303 . 1 1 33 33 LEU HB2 H 1 1.544 0.002 . . . . . A 33 LEU HB2 . 30180 1 304 . 1 1 33 33 LEU HB3 H 1 1.774 0.002 . . . . . A 33 LEU HB3 . 30180 1 305 . 1 1 33 33 LEU HG H 1 1.774 0.002 . . . . . A 33 LEU HG . 30180 1 306 . 1 1 33 33 LEU HD11 H 1 0.896 0.002 . . . . . A 33 LEU HD11 . 30180 1 307 . 1 1 33 33 LEU HD12 H 1 0.896 0.002 . . . . . A 33 LEU HD12 . 30180 1 308 . 1 1 33 33 LEU HD13 H 1 0.896 0.002 . . . . . A 33 LEU HD13 . 30180 1 309 . 1 1 33 33 LEU HD21 H 1 0.868 0.002 . . . . . A 33 LEU HD21 . 30180 1 310 . 1 1 33 33 LEU HD22 H 1 0.868 0.002 . . . . . A 33 LEU HD22 . 30180 1 311 . 1 1 33 33 LEU HD23 H 1 0.868 0.002 . . . . . A 33 LEU HD23 . 30180 1 312 . 1 1 33 33 LEU CA C 13 55.889 0.400 . . . . . A 33 LEU CA . 30180 1 313 . 1 1 33 33 LEU CB C 13 42.630 0.400 . . . . . A 33 LEU CB . 30180 1 314 . 1 1 33 33 LEU N N 15 122.798 0.400 . . . . . A 33 LEU N . 30180 1 315 . 1 1 34 34 GLY H H 1 8.051 0.002 . . . . . A 34 GLY H . 30180 1 316 . 1 1 34 34 GLY HA2 H 1 3.835 0.002 . . . . . A 34 GLY HA2 . 30180 1 317 . 1 1 34 34 GLY HA3 H 1 3.835 0.002 . . . . . A 34 GLY HA3 . 30180 1 318 . 1 1 34 34 GLY CA C 13 45.625 0.400 . . . . . A 34 GLY CA . 30180 1 319 . 1 1 34 34 GLY N N 15 107.736 0.400 . . . . . A 34 GLY N . 30180 1 stop_ save_