################################### # 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 17495 _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 $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' . . . 17495 1 2 '2D 1H-13C HSQC' . . . 17495 1 3 '2D 1H-13C HSQC aliphatic' . . . 17495 1 5 '3D CBCA(CO)NH' . . . 17495 1 6 '3D HCCH-TOCSY' . . . 17495 1 7 '3D HNCO' . . . 17495 1 8 '3D HNCACB' . . . 17495 1 11 '3D 1H-15N TOCSY' . . . 17495 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 3.619 0.03 . 2 . . . A 1 GLY HA2 . 17495 1 2 . 1 1 1 1 GLY HA3 H 1 3.538 0.03 . 2 . . . A 1 GLY HA3 . 17495 1 3 . 1 1 1 1 GLY CA C 13 43.163 0.3 . 1 . . . A 1 GLY CA . 17495 1 4 . 1 1 2 2 TRP H H 1 8.542 0.03 . 1 . . . A 2 TRP H . 17495 1 5 . 1 1 2 2 TRP HA H 1 4.392 0.03 . 1 . . . A 2 TRP HA . 17495 1 6 . 1 1 2 2 TRP HB2 H 1 3.320 0.03 . 2 . . . A 2 TRP HB2 . 17495 1 7 . 1 1 2 2 TRP HB3 H 1 3.258 0.03 . 2 . . . A 2 TRP HB3 . 17495 1 8 . 1 1 2 2 TRP CA C 13 60.005 0.3 . 1 . . . A 2 TRP CA . 17495 1 9 . 1 1 2 2 TRP CB C 13 29.583 0.3 . 1 . . . A 2 TRP CB . 17495 1 10 . 1 1 2 2 TRP N N 15 120.682 0.3 . 1 . . . A 2 TRP N . 17495 1 11 . 1 1 3 3 VAL H H 1 7.697 0.03 . 1 . . . A 3 VAL H . 17495 1 12 . 1 1 3 3 VAL HA H 1 3.337 0.03 . 1 . . . A 3 VAL HA . 17495 1 13 . 1 1 3 3 VAL HB H 1 1.748 0.03 . 1 . . . A 3 VAL HB . 17495 1 14 . 1 1 3 3 VAL HG11 H 1 0.713 0.03 . 1 . . . A 3 VAL HG11 . 17495 1 15 . 1 1 3 3 VAL HG12 H 1 0.713 0.03 . 1 . . . A 3 VAL HG12 . 17495 1 16 . 1 1 3 3 VAL HG13 H 1 0.713 0.03 . 1 . . . A 3 VAL HG13 . 17495 1 17 . 1 1 3 3 VAL HG21 H 1 0.449 0.03 . 1 . . . A 3 VAL HG21 . 17495 1 18 . 1 1 3 3 VAL HG22 H 1 0.449 0.03 . 1 . . . A 3 VAL HG22 . 17495 1 19 . 1 1 3 3 VAL HG23 H 1 0.449 0.03 . 1 . . . A 3 VAL HG23 . 17495 1 20 . 1 1 3 3 VAL CA C 13 65.541 0.3 . 1 . . . A 3 VAL CA . 17495 1 21 . 1 1 3 3 VAL CB C 13 31.402 0.3 . 1 . . . A 3 VAL CB . 17495 1 22 . 1 1 3 3 VAL CG1 C 13 20.591 0.3 . 1 . . . A 3 VAL CG1 . 17495 1 23 . 1 1 3 3 VAL CG2 C 13 20.993 0.3 . 1 . . . A 3 VAL CG2 . 17495 1 24 . 1 1 3 3 VAL N N 15 119.566 0.3 . 1 . . . A 3 VAL N . 17495 1 25 . 1 1 4 4 ALA H H 1 7.331 0.03 . 1 . . . A 4 ALA H . 17495 1 26 . 1 1 4 4 ALA HA H 1 4.032 0.03 . 1 . . . A 4 ALA HA . 17495 1 27 . 1 1 4 4 ALA HB1 H 1 1.306 0.03 . 1 . . . A 4 ALA HB1 . 17495 1 28 . 1 1 4 4 ALA HB2 H 1 1.306 0.03 . 1 . . . A 4 ALA HB2 . 17495 1 29 . 1 1 4 4 ALA HB3 H 1 1.306 0.03 . 1 . . . A 4 ALA HB3 . 17495 1 30 . 1 1 4 4 ALA CA C 13 54.107 0.3 . 1 . . . A 4 ALA CA . 17495 1 31 . 1 1 4 4 ALA CB C 13 17.965 0.3 . 1 . . . A 4 ALA CB . 17495 1 32 . 1 1 4 4 ALA N N 15 120.567 0.3 . 1 . . . A 4 ALA N . 17495 1 33 . 1 1 5 5 CYS H H 1 7.716 0.03 . 1 . . . A 5 CYS H . 17495 1 34 . 1 1 5 5 CYS HA H 1 4.244 0.03 . 1 . . . A 5 CYS HA . 17495 1 35 . 1 1 5 5 CYS HB2 H 1 3.328 0.03 . 2 . . . A 5 CYS HB2 . 17495 1 36 . 1 1 5 5 CYS HB3 H 1 2.945 0.03 . 2 . . . A 5 CYS HB3 . 17495 1 37 . 1 1 5 5 CYS CA C 13 60.605 0.3 . 1 . . . A 5 CYS CA . 17495 1 38 . 1 1 5 5 CYS CB C 13 30.513 0.3 . 1 . . . A 5 CYS CB . 17495 1 39 . 1 1 5 5 CYS N N 15 114.687 0.3 . 1 . . . A 5 CYS N . 17495 1 40 . 1 1 6 6 VAL H H 1 8.175 0.03 . 1 . . . A 6 VAL H . 17495 1 41 . 1 1 6 6 VAL HA H 1 3.542 0.03 . 1 . . . A 6 VAL HA . 17495 1 42 . 1 1 6 6 VAL HB H 1 2.033 0.03 . 1 . . . A 6 VAL HB . 17495 1 43 . 1 1 6 6 VAL HG11 H 1 0.970 0.03 . 1 . . . A 6 VAL HG11 . 17495 1 44 . 1 1 6 6 VAL HG12 H 1 0.970 0.03 . 1 . . . A 6 VAL HG12 . 17495 1 45 . 1 1 6 6 VAL HG13 H 1 0.970 0.03 . 1 . . . A 6 VAL HG13 . 17495 1 46 . 1 1 6 6 VAL HG21 H 1 0.886 0.03 . 1 . . . A 6 VAL HG21 . 17495 1 47 . 1 1 6 6 VAL HG22 H 1 0.886 0.03 . 1 . . . A 6 VAL HG22 . 17495 1 48 . 1 1 6 6 VAL HG23 H 1 0.886 0.03 . 1 . . . A 6 VAL HG23 . 17495 1 49 . 1 1 6 6 VAL CA C 13 66.962 0.3 . 1 . . . A 6 VAL CA . 17495 1 50 . 1 1 6 6 VAL CB C 13 31.382 0.3 . 1 . . . A 6 VAL CB . 17495 1 51 . 1 1 6 6 VAL CG1 C 13 22.194 0.3 . 1 . . . A 6 VAL CG1 . 17495 1 52 . 1 1 6 6 VAL CG2 C 13 20.683 0.3 . 1 . . . A 6 VAL CG2 . 17495 1 53 . 1 1 6 6 VAL N N 15 118.323 0.3 . 1 . . . A 6 VAL N . 17495 1 54 . 1 1 7 7 GLY H H 1 7.947 0.03 . 1 . . . A 7 GLY H . 17495 1 55 . 1 1 7 7 GLY HA2 H 1 3.755 0.03 . 1 . . . A 7 GLY HA2 . 17495 1 56 . 1 1 7 7 GLY HA3 H 1 3.755 0.03 . 1 . . . A 7 GLY HA3 . 17495 1 57 . 1 1 7 7 GLY CA C 13 46.828 0.3 . 1 . . . A 7 GLY CA . 17495 1 58 . 1 1 7 7 GLY N N 15 105.401 0.3 . 1 . . . A 7 GLY N . 17495 1 59 . 1 1 8 8 ALA H H 1 8.141 0.03 . 1 . . . A 8 ALA H . 17495 1 60 . 1 1 8 8 ALA HA H 1 4.065 0.03 . 1 . . . A 8 ALA HA . 17495 1 61 . 1 1 8 8 ALA HB1 H 1 1.468 0.03 . 1 . . . A 8 ALA HB1 . 17495 1 62 . 1 1 8 8 ALA HB2 H 1 1.468 0.03 . 1 . . . A 8 ALA HB2 . 17495 1 63 . 1 1 8 8 ALA HB3 H 1 1.468 0.03 . 1 . . . A 8 ALA HB3 . 17495 1 64 . 1 1 8 8 ALA CA C 13 55.488 0.3 . 1 . . . A 8 ALA CA . 17495 1 65 . 1 1 8 8 ALA CB C 13 17.810 0.3 . 1 . . . A 8 ALA CB . 17495 1 66 . 1 1 8 8 ALA N N 15 125.672 0.3 . 1 . . . A 8 ALA N . 17495 1 67 . 1 1 9 9 CYS H H 1 8.948 0.03 . 1 . . . A 9 CYS H . 17495 1 68 . 1 1 9 9 CYS HA H 1 3.858 0.03 . 1 . . . A 9 CYS HA . 17495 1 69 . 1 1 9 9 CYS HB2 H 1 3.157 0.03 . 2 . . . A 9 CYS HB2 . 17495 1 70 . 1 1 9 9 CYS HB3 H 1 2.911 0.03 . 2 . . . A 9 CYS HB3 . 17495 1 71 . 1 1 9 9 CYS CA C 13 60.627 0.3 . 1 . . . A 9 CYS CA . 17495 1 72 . 1 1 9 9 CYS CB C 13 30.261 0.3 . 1 . . . A 9 CYS CB . 17495 1 73 . 1 1 9 9 CYS N N 15 114.698 0.3 . 1 . . . A 9 CYS N . 17495 1 74 . 1 1 10 10 GLY H H 1 8.535 0.03 . 1 . . . A 10 GLY H . 17495 1 75 . 1 1 10 10 GLY HA2 H 1 3.847 0.03 . 2 . . . A 10 GLY HA2 . 17495 1 76 . 1 1 10 10 GLY HA3 H 1 3.573 0.03 . 2 . . . A 10 GLY HA3 . 17495 1 77 . 1 1 10 10 GLY CA C 13 47.854 0.3 . 1 . . . A 10 GLY CA . 17495 1 78 . 1 1 10 10 GLY N N 15 104.531 0.3 . 1 . . . A 10 GLY N . 17495 1 79 . 1 1 11 11 THR H H 1 7.879 0.03 . 1 . . . A 11 THR H . 17495 1 80 . 1 1 11 11 THR HA H 1 3.769 0.03 . 1 . . . A 11 THR HA . 17495 1 81 . 1 1 11 11 THR HB H 1 4.101 0.03 . 1 . . . A 11 THR HB . 17495 1 82 . 1 1 11 11 THR HG21 H 1 1.173 0.03 . 1 . . . A 11 THR HG21 . 17495 1 83 . 1 1 11 11 THR HG22 H 1 1.173 0.03 . 1 . . . A 11 THR HG22 . 17495 1 84 . 1 1 11 11 THR HG23 H 1 1.173 0.03 . 1 . . . A 11 THR HG23 . 17495 1 85 . 1 1 11 11 THR CA C 13 67.485 0.3 . 1 . . . A 11 THR CA . 17495 1 86 . 1 1 11 11 THR CB C 13 68.686 0.3 . 1 . . . A 11 THR CB . 17495 1 87 . 1 1 11 11 THR CG2 C 13 20.962 0.3 . 1 . . . A 11 THR CG2 . 17495 1 88 . 1 1 11 11 THR N N 15 114.892 0.3 . 1 . . . A 11 THR N . 17495 1 89 . 1 1 12 12 VAL H H 1 7.510 0.03 . 1 . . . A 12 VAL H . 17495 1 90 . 1 1 12 12 VAL HA H 1 3.601 0.03 . 1 . . . A 12 VAL HA . 17495 1 91 . 1 1 12 12 VAL HB H 1 1.954 0.03 . 1 . . . A 12 VAL HB . 17495 1 92 . 1 1 12 12 VAL HG11 H 1 1.047 0.03 . 1 . . . A 12 VAL HG11 . 17495 1 93 . 1 1 12 12 VAL HG12 H 1 1.047 0.03 . 1 . . . A 12 VAL HG12 . 17495 1 94 . 1 1 12 12 VAL HG13 H 1 1.047 0.03 . 1 . . . A 12 VAL HG13 . 17495 1 95 . 1 1 12 12 VAL HG21 H 1 0.913 0.03 . 1 . . . A 12 VAL HG21 . 17495 1 96 . 1 1 12 12 VAL HG22 H 1 0.913 0.03 . 1 . . . A 12 VAL HG22 . 17495 1 97 . 1 1 12 12 VAL HG23 H 1 0.913 0.03 . 1 . . . A 12 VAL HG23 . 17495 1 98 . 1 1 12 12 VAL CA C 13 66.548 0.3 . 1 . . . A 12 VAL CA . 17495 1 99 . 1 1 12 12 VAL CB C 13 31.256 0.3 . 1 . . . A 12 VAL CB . 17495 1 100 . 1 1 12 12 VAL CG1 C 13 22.572 0.3 . 1 . . . A 12 VAL CG1 . 17495 1 101 . 1 1 12 12 VAL CG2 C 13 21.574 0.3 . 1 . . . A 12 VAL CG2 . 17495 1 102 . 1 1 12 12 VAL N N 15 119.926 0.3 . 1 . . . A 12 VAL N . 17495 1 103 . 1 1 13 13 CYS H H 1 9.013 0.03 . 1 . . . A 13 CYS H . 17495 1 104 . 1 1 13 13 CYS HA H 1 3.657 0.03 . 1 . . . A 13 CYS HA . 17495 1 105 . 1 1 13 13 CYS HB2 H 1 4.375 0.03 . 2 . . . A 13 CYS HB2 . 17495 1 106 . 1 1 13 13 CYS HB3 H 1 2.939 0.03 . 2 . . . A 13 CYS HB3 . 17495 1 107 . 1 1 13 13 CYS CA C 13 63.570 0.3 . 1 . . . A 13 CYS CA . 17495 1 108 . 1 1 13 13 CYS CB C 13 29.537 0.3 . 1 . . . A 13 CYS CB . 17495 1 109 . 1 1 13 13 CYS N N 15 120.346 0.3 . 1 . . . A 13 CYS N . 17495 1 110 . 1 1 14 14 LEU H H 1 8.158 0.03 . 1 . . . A 14 LEU H . 17495 1 111 . 1 1 14 14 LEU HA H 1 4.016 0.03 . 1 . . . A 14 LEU HA . 17495 1 112 . 1 1 14 14 LEU HB2 H 1 1.864 0.03 . 2 . . . A 14 LEU HB2 . 17495 1 113 . 1 1 14 14 LEU HB3 H 1 1.594 0.03 . 2 . . . A 14 LEU HB3 . 17495 1 114 . 1 1 14 14 LEU HG H 1 1.724 0.03 . 1 . . . A 14 LEU HG . 17495 1 115 . 1 1 14 14 LEU HD11 H 1 0.844 0.03 . 1 . . . A 14 LEU HD11 . 17495 1 116 . 1 1 14 14 LEU HD12 H 1 0.844 0.03 . 1 . . . A 14 LEU HD12 . 17495 1 117 . 1 1 14 14 LEU HD13 H 1 0.844 0.03 . 1 . . . A 14 LEU HD13 . 17495 1 118 . 1 1 14 14 LEU HD21 H 1 0.854 0.03 . 1 . . . A 14 LEU HD21 . 17495 1 119 . 1 1 14 14 LEU HD22 H 1 0.854 0.03 . 1 . . . A 14 LEU HD22 . 17495 1 120 . 1 1 14 14 LEU HD23 H 1 0.854 0.03 . 1 . . . A 14 LEU HD23 . 17495 1 121 . 1 1 14 14 LEU CA C 13 58.456 0.3 . 1 . . . A 14 LEU CA . 17495 1 122 . 1 1 14 14 LEU CB C 13 41.746 0.3 . 1 . . . A 14 LEU CB . 17495 1 123 . 1 1 14 14 LEU CG C 13 27.124 0.3 . 1 . . . A 14 LEU CG . 17495 1 124 . 1 1 14 14 LEU CD1 C 13 23.545 0.3 . 1 . . . A 14 LEU CD1 . 17495 1 125 . 1 1 14 14 LEU CD2 C 13 24.054 0.3 . 1 . . . A 14 LEU CD2 . 17495 1 126 . 1 1 14 14 LEU N N 15 118.839 0.3 . 1 . . . A 14 LEU N . 17495 1 127 . 1 1 15 15 ALA H H 1 8.165 0.03 . 1 . . . A 15 ALA H . 17495 1 128 . 1 1 15 15 ALA HA H 1 4.084 0.03 . 1 . . . A 15 ALA HA . 17495 1 129 . 1 1 15 15 ALA HB1 H 1 1.501 0.03 . 1 . . . A 15 ALA HB1 . 17495 1 130 . 1 1 15 15 ALA HB2 H 1 1.501 0.03 . 1 . . . A 15 ALA HB2 . 17495 1 131 . 1 1 15 15 ALA HB3 H 1 1.501 0.03 . 1 . . . A 15 ALA HB3 . 17495 1 132 . 1 1 15 15 ALA CA C 13 54.860 0.3 . 1 . . . A 15 ALA CA . 17495 1 133 . 1 1 15 15 ALA CB C 13 17.941 0.3 . 1 . . . A 15 ALA CB . 17495 1 134 . 1 1 15 15 ALA N N 15 120.708 0.3 . 1 . . . A 15 ALA N . 17495 1 135 . 1 1 16 16 SER H H 1 7.538 0.03 . 1 . . . A 16 SER H . 17495 1 136 . 1 1 16 16 SER HA H 1 4.560 0.03 . 1 . . . A 16 SER HA . 17495 1 137 . 1 1 16 16 SER HB2 H 1 4.318 0.03 . 2 . . . A 16 SER HB2 . 17495 1 138 . 1 1 16 16 SER HB3 H 1 3.771 0.03 . 2 . . . A 16 SER HB3 . 17495 1 139 . 1 1 16 16 SER CA C 13 57.108 0.3 . 1 . . . A 16 SER CA . 17495 1 140 . 1 1 16 16 SER CB C 13 64.148 0.3 . 1 . . . A 16 SER CB . 17495 1 141 . 1 1 16 16 SER N N 15 105.935 0.3 . 1 . . . A 16 SER N . 17495 1 142 . 1 1 17 17 GLY H H 1 8.101 0.03 . 1 . . . A 17 GLY H . 17495 1 143 . 1 1 17 17 GLY HA2 H 1 3.996 0.03 . 2 . . . A 17 GLY HA2 . 17495 1 144 . 1 1 17 17 GLY HA3 H 1 3.839 0.03 . 2 . . . A 17 GLY HA3 . 17495 1 145 . 1 1 17 17 GLY CA C 13 46.586 0.3 . 1 . . . A 17 GLY CA . 17495 1 146 . 1 1 17 17 GLY N N 15 109.603 0.3 . 1 . . . A 17 GLY N . 17495 1 147 . 1 1 18 18 GLY H H 1 8.483 0.03 . 1 . . . A 18 GLY H . 17495 1 148 . 1 1 18 18 GLY HA2 H 1 4.408 0.03 . 2 . . . A 18 GLY HA2 . 17495 1 149 . 1 1 18 18 GLY HA3 H 1 3.382 0.03 . 2 . . . A 18 GLY HA3 . 17495 1 150 . 1 1 18 18 GLY CA C 13 44.284 0.3 . 1 . . . A 18 GLY CA . 17495 1 151 . 1 1 18 18 GLY N N 15 103.443 0.3 . 1 . . . A 18 GLY N . 17495 1 152 . 1 1 19 19 VAL H H 1 7.596 0.03 . 1 . . . A 19 VAL H . 17495 1 153 . 1 1 19 19 VAL HA H 1 3.811 0.03 . 1 . . . A 19 VAL HA . 17495 1 154 . 1 1 19 19 VAL HB H 1 2.164 0.03 . 1 . . . A 19 VAL HB . 17495 1 155 . 1 1 19 19 VAL HG11 H 1 1.128 0.03 . 1 . . . A 19 VAL HG11 . 17495 1 156 . 1 1 19 19 VAL HG12 H 1 1.128 0.03 . 1 . . . A 19 VAL HG12 . 17495 1 157 . 1 1 19 19 VAL HG13 H 1 1.128 0.03 . 1 . . . A 19 VAL HG13 . 17495 1 158 . 1 1 19 19 VAL HG21 H 1 0.992 0.03 . 1 . . . A 19 VAL HG21 . 17495 1 159 . 1 1 19 19 VAL HG22 H 1 0.992 0.03 . 1 . . . A 19 VAL HG22 . 17495 1 160 . 1 1 19 19 VAL HG23 H 1 0.992 0.03 . 1 . . . A 19 VAL HG23 . 17495 1 161 . 1 1 19 19 VAL CA C 13 65.723 0.3 . 1 . . . A 19 VAL CA . 17495 1 162 . 1 1 19 19 VAL CB C 13 31.970 0.3 . 1 . . . A 19 VAL CB . 17495 1 163 . 1 1 19 19 VAL CG1 C 13 21.838 0.3 . 1 . . . A 19 VAL CG1 . 17495 1 164 . 1 1 19 19 VAL CG2 C 13 20.638 0.3 . 1 . . . A 19 VAL CG2 . 17495 1 165 . 1 1 19 19 VAL N N 15 120.364 0.3 . 1 . . . A 19 VAL N . 17495 1 166 . 1 1 20 20 GLY H H 1 8.498 0.03 . 1 . . . A 20 GLY H . 17495 1 167 . 1 1 20 20 GLY HA2 H 1 4.278 0.03 . 2 . . . A 20 GLY HA2 . 17495 1 168 . 1 1 20 20 GLY HA3 H 1 3.490 0.03 . 2 . . . A 20 GLY HA3 . 17495 1 169 . 1 1 20 20 GLY CA C 13 46.126 0.3 . 1 . . . A 20 GLY CA . 17495 1 170 . 1 1 20 20 GLY N N 15 102.201 0.3 . 1 . . . A 20 GLY N . 17495 1 171 . 1 1 21 21 THR H H 1 7.896 0.03 . 1 . . . A 21 THR H . 17495 1 172 . 1 1 21 21 THR HB H 1 4.432 0.03 . 1 . . . A 21 THR HB . 17495 1 173 . 1 1 21 21 THR HG21 H 1 1.176 0.03 . 1 . . . A 21 THR HG21 . 17495 1 174 . 1 1 21 21 THR HG22 H 1 1.176 0.03 . 1 . . . A 21 THR HG22 . 17495 1 175 . 1 1 21 21 THR HG23 H 1 1.176 0.03 . 1 . . . A 21 THR HG23 . 17495 1 176 . 1 1 21 21 THR CA C 13 76.049 0.3 . 1 . . . A 21 THR CA . 17495 1 177 . 1 1 21 21 THR CB C 13 77.141 0.3 . 1 . . . A 21 THR CB . 17495 1 178 . 1 1 21 21 THR CG2 C 13 20.449 0.3 . 1 . . . A 21 THR CG2 . 17495 1 179 . 1 1 21 21 THR N N 15 125.215 0.3 . 1 . . . A 21 THR N . 17495 1 180 . 1 1 22 22 GLU H H 1 8.635 0.03 . 1 . . . A 22 GLU H . 17495 1 181 . 1 1 22 22 GLU HA H 1 3.782 0.03 . 1 . . . A 22 GLU HA . 17495 1 182 . 1 1 22 22 GLU HB2 H 1 1.852 0.03 . 1 . . . A 22 GLU HB2 . 17495 1 183 . 1 1 22 22 GLU HB3 H 1 1.852 0.03 . 1 . . . A 22 GLU HB3 . 17495 1 184 . 1 1 22 22 GLU HG2 H 1 2.239 0.03 . 1 . . . A 22 GLU HG2 . 17495 1 185 . 1 1 22 22 GLU HG3 H 1 2.239 0.03 . 1 . . . A 22 GLU HG3 . 17495 1 186 . 1 1 22 22 GLU CA C 13 60.043 0.3 . 1 . . . A 22 GLU CA . 17495 1 187 . 1 1 22 22 GLU CB C 13 27.876 0.3 . 1 . . . A 22 GLU CB . 17495 1 188 . 1 1 22 22 GLU CG C 13 32.456 0.3 . 1 . . . A 22 GLU CG . 17495 1 189 . 1 1 22 22 GLU N N 15 116.101 0.3 . 1 . . . A 22 GLU N . 17495 1 190 . 1 1 23 23 PHE H H 1 7.499 0.03 . 1 . . . A 23 PHE H . 17495 1 191 . 1 1 23 23 PHE HA H 1 4.267 0.03 . 1 . . . A 23 PHE HA . 17495 1 192 . 1 1 23 23 PHE HB2 H 1 3.068 0.03 . 1 . . . A 23 PHE HB2 . 17495 1 193 . 1 1 23 23 PHE HB3 H 1 3.068 0.03 . 1 . . . A 23 PHE HB3 . 17495 1 194 . 1 1 23 23 PHE CA C 13 59.990 0.3 . 1 . . . A 23 PHE CA . 17495 1 195 . 1 1 23 23 PHE CB C 13 39.091 0.3 . 1 . . . A 23 PHE CB . 17495 1 196 . 1 1 23 23 PHE N N 15 115.946 0.3 . 1 . . . A 23 PHE N . 17495 1 197 . 1 1 24 24 ALA H H 1 8.616 0.03 . 1 . . . A 24 ALA H . 17495 1 198 . 1 1 24 24 ALA HA H 1 4.009 0.03 . 1 . . . A 24 ALA HA . 17495 1 199 . 1 1 24 24 ALA HB1 H 1 1.665 0.03 . 1 . . . A 24 ALA HB1 . 17495 1 200 . 1 1 24 24 ALA HB2 H 1 1.665 0.03 . 1 . . . A 24 ALA HB2 . 17495 1 201 . 1 1 24 24 ALA HB3 H 1 1.665 0.03 . 1 . . . A 24 ALA HB3 . 17495 1 202 . 1 1 24 24 ALA CA C 13 55.810 0.3 . 1 . . . A 24 ALA CA . 17495 1 203 . 1 1 24 24 ALA CB C 13 19.178 0.3 . 1 . . . A 24 ALA CB . 17495 1 204 . 1 1 24 24 ALA N N 15 119.298 0.3 . 1 . . . A 24 ALA N . 17495 1 205 . 1 1 25 25 ALA H H 1 8.320 0.03 . 1 . . . A 25 ALA H . 17495 1 206 . 1 1 25 25 ALA HB1 H 1 1.834 0.03 . 1 . . . A 25 ALA HB1 . 17495 1 207 . 1 1 25 25 ALA HB2 H 1 1.834 0.03 . 1 . . . A 25 ALA HB2 . 17495 1 208 . 1 1 25 25 ALA HB3 H 1 1.834 0.03 . 1 . . . A 25 ALA HB3 . 17495 1 209 . 1 1 25 25 ALA CA C 13 70.189 0.3 . 1 . . . A 25 ALA CA . 17495 1 210 . 1 1 25 25 ALA CB C 13 28.069 0.3 . 1 . . . A 25 ALA CB . 17495 1 211 . 1 1 25 25 ALA N N 15 121.594 0.3 . 1 . . . A 25 ALA N . 17495 1 212 . 1 1 26 26 ALA H H 1 7.664 0.03 . 1 . . . A 26 ALA H . 17495 1 213 . 1 1 26 26 ALA HA H 1 4.265 0.03 . 1 . . . A 26 ALA HA . 17495 1 214 . 1 1 26 26 ALA HB1 H 1 1.634 0.03 . 1 . . . A 26 ALA HB1 . 17495 1 215 . 1 1 26 26 ALA HB2 H 1 1.634 0.03 . 1 . . . A 26 ALA HB2 . 17495 1 216 . 1 1 26 26 ALA HB3 H 1 1.634 0.03 . 1 . . . A 26 ALA HB3 . 17495 1 217 . 1 1 26 26 ALA CA C 13 36.367 0.3 . 1 . . . A 26 ALA CA . 17495 1 218 . 1 1 26 26 ALA CB C 13 17.216 0.3 . 1 . . . A 26 ALA CB . 17495 1 219 . 1 1 26 26 ALA N N 15 119.470 0.3 . 1 . . . A 26 ALA N . 17495 1 220 . 1 1 27 27 SER H H 1 8.324 0.03 . 1 . . . A 27 SER H . 17495 1 221 . 1 1 27 27 SER HA H 1 3.934 0.03 . 1 . . . A 27 SER HA . 17495 1 222 . 1 1 27 27 SER HB2 H 1 4.138 0.03 . 2 . . . A 27 SER HB2 . 17495 1 223 . 1 1 27 27 SER HB3 H 1 3.904 0.03 . 2 . . . A 27 SER HB3 . 17495 1 224 . 1 1 27 27 SER CA C 13 62.684 0.3 . 1 . . . A 27 SER CA . 17495 1 225 . 1 1 27 27 SER CB C 13 62.993 0.3 . 1 . . . A 27 SER CB . 17495 1 226 . 1 1 27 27 SER N N 15 114.102 0.3 . 1 . . . A 27 SER N . 17495 1 227 . 1 1 28 28 DTY CA C 13 76.082 0.3 . 1 . . . A 28 DTY CA . 17495 1 228 . 1 1 28 28 DTY CB C 13 45.007 0.3 . 1 . . . A 28 DTY CB . 17495 1 229 . 1 1 28 28 DTY H H 1 8.204 0.03 . 1 . . . A 28 DTY H . 17495 1 230 . 1 1 28 28 DTY HB2 H 1 3.164 0.03 . 1 . . . A 28 DTY HB2 . 17495 1 231 . 1 1 28 28 DTY HB3 H 1 2.624 0.03 . 1 . . . A 28 DTY HB3 . 17495 1 232 . 1 1 28 28 DTY N N 15 129.274 0.3 . 1 . . . A 28 DTY N . 17495 1 233 . 1 1 29 29 PHE H H 1 7.783 0.03 . 1 . . . A 29 PHE H . 17495 1 234 . 1 1 29 29 PHE HA H 1 4.170 0.03 . 1 . . . A 29 PHE HA . 17495 1 235 . 1 1 29 29 PHE HB2 H 1 3.389 0.03 . 2 . . . A 29 PHE HB2 . 17495 1 236 . 1 1 29 29 PHE HB3 H 1 2.905 0.03 . 2 . . . A 29 PHE HB3 . 17495 1 237 . 1 1 29 29 PHE CA C 13 60.471 0.3 . 1 . . . A 29 PHE CA . 17495 1 238 . 1 1 29 29 PHE CB C 13 39.718 0.3 . 1 . . . A 29 PHE CB . 17495 1 239 . 1 1 29 29 PHE N N 15 110.808 0.3 . 1 . . . A 29 PHE N . 17495 1 240 . 1 1 30 30 LEU H H 1 7.750 0.03 . 1 . . . A 30 LEU H . 17495 1 241 . 1 1 30 30 LEU HA H 1 4.298 0.03 . 1 . . . A 30 LEU HA . 17495 1 242 . 1 1 30 30 LEU HB2 H 1 1.801 0.03 . 2 . . . A 30 LEU HB2 . 17495 1 243 . 1 1 30 30 LEU HB3 H 1 1.560 0.03 . 2 . . . A 30 LEU HB3 . 17495 1 244 . 1 1 30 30 LEU HG H 1 1.706 0.03 . 1 . . . A 30 LEU HG . 17495 1 245 . 1 1 30 30 LEU HD11 H 1 0.885 0.03 . 1 . . . A 30 LEU HD11 . 17495 1 246 . 1 1 30 30 LEU HD12 H 1 0.885 0.03 . 1 . . . A 30 LEU HD12 . 17495 1 247 . 1 1 30 30 LEU HD13 H 1 0.885 0.03 . 1 . . . A 30 LEU HD13 . 17495 1 248 . 1 1 30 30 LEU HD21 H 1 0.848 0.03 . 1 . . . A 30 LEU HD21 . 17495 1 249 . 1 1 30 30 LEU HD22 H 1 0.848 0.03 . 1 . . . A 30 LEU HD22 . 17495 1 250 . 1 1 30 30 LEU HD23 H 1 0.848 0.03 . 1 . . . A 30 LEU HD23 . 17495 1 251 . 1 1 30 30 LEU CA C 13 54.080 0.3 . 1 . . . A 30 LEU CA . 17495 1 252 . 1 1 30 30 LEU CB C 13 42.127 0.3 . 1 . . . A 30 LEU CB . 17495 1 253 . 1 1 30 30 LEU CD1 C 13 24.759 0.3 . 1 . . . A 30 LEU CD1 . 17495 1 254 . 1 1 30 30 LEU CD2 C 13 22.545 0.3 . 1 . . . A 30 LEU CD2 . 17495 1 255 . 1 1 30 30 LEU N N 15 118.789 0.3 . 1 . . . A 30 LEU N . 17495 1 stop_ save_