################################### # 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 16504 _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-1H TOCSY' . . . 16504 1 2 '2D 1H-1H NOESY' . . . 16504 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 THR HA H 1 4.374 0.020 . . . . . . 1 THR HA . 16504 1 2 . 1 1 1 1 THR HB H 1 4.081 0.020 . . . . . . 1 THR HB . 16504 1 3 . 1 1 1 1 THR HG21 H 1 1.378 0.020 . . . . . . 1 THR QG2 . 16504 1 4 . 1 1 1 1 THR HG22 H 1 1.378 0.020 . . . . . . 1 THR QG2 . 16504 1 5 . 1 1 1 1 THR HG23 H 1 1.378 0.020 . . . . . . 1 THR QG2 . 16504 1 6 . 1 1 2 2 VAL H H 1 8.629 0.020 . . . . . . 2 VAL H . 16504 1 7 . 1 1 2 2 VAL HA H 1 4.148 0.020 . . . . . . 2 VAL HA . 16504 1 8 . 1 1 2 2 VAL HB H 1 2.114 0.020 . . . . . . 2 VAL HB . 16504 1 9 . 1 1 2 2 VAL HG11 H 1 0.991 0.020 . . . . . . 2 VAL QG1 . 16504 1 10 . 1 1 2 2 VAL HG12 H 1 0.991 0.020 . . . . . . 2 VAL QG1 . 16504 1 11 . 1 1 2 2 VAL HG13 H 1 0.991 0.020 . . . . . . 2 VAL QG1 . 16504 1 12 . 1 1 2 2 VAL HG21 H 1 0.921 0.020 . . . . . . 2 VAL QG2 . 16504 1 13 . 1 1 2 2 VAL HG22 H 1 0.921 0.020 . . . . . . 2 VAL QG2 . 16504 1 14 . 1 1 2 2 VAL HG23 H 1 0.921 0.020 . . . . . . 2 VAL QG2 . 16504 1 15 . 1 1 3 3 PHE H H 1 7.868 0.020 . . . . . . 3 PHE H . 16504 1 16 . 1 1 3 3 PHE HA H 1 4.503 0.020 . . . . . . 3 PHE HA . 16504 1 17 . 1 1 3 3 PHE HB2 H 1 3.053 0.020 . . . . . . 3 PHE HB2 . 16504 1 18 . 1 1 3 3 PHE HB3 H 1 3.125 0.020 . . . . . . 3 PHE HB3 . 16504 1 19 . 1 1 3 3 PHE HD1 H 1 7.272 0.020 . . . . . . 3 PHE QD . 16504 1 20 . 1 1 3 3 PHE HD2 H 1 7.272 0.020 . . . . . . 3 PHE QD . 16504 1 21 . 1 1 4 4 ALA H H 1 7.937 0.020 . . . . . . 4 ALA H . 16504 1 22 . 1 1 4 4 ALA HA H 1 4.160 0.020 . . . . . . 4 ALA HA . 16504 1 23 . 1 1 4 4 ALA HB1 H 1 1.455 0.020 . . . . . . 4 ALA QB . 16504 1 24 . 1 1 4 4 ALA HB2 H 1 1.455 0.020 . . . . . . 4 ALA QB . 16504 1 25 . 1 1 4 4 ALA HB3 H 1 1.455 0.020 . . . . . . 4 ALA QB . 16504 1 26 . 1 1 5 5 PHE H H 1 7.561 0.020 . . . . . . 5 PHE H . 16504 1 27 . 1 1 5 5 PHE HA H 1 4.426 0.020 . . . . . . 5 PHE HA . 16504 1 28 . 1 1 5 5 PHE HB2 H 1 3.168 0.020 . . . . . . 5 PHE QB . 16504 1 29 . 1 1 5 5 PHE HB3 H 1 3.168 0.020 . . . . . . 5 PHE QB . 16504 1 30 . 1 1 5 5 PHE HD1 H 1 7.221 0.020 . . . . . . 5 PHE QD . 16504 1 31 . 1 1 5 5 PHE HD2 H 1 7.221 0.020 . . . . . . 5 PHE QD . 16504 1 32 . 1 1 6 6 ALA H H 1 8.210 0.020 . . . . . . 6 ALA H . 16504 1 33 . 1 1 6 6 ALA HA H 1 4.013 0.020 . . . . . . 6 ALA HA . 16504 1 34 . 1 1 6 6 ALA HB1 H 1 1.496 0.020 . . . . . . 6 ALA QB . 16504 1 35 . 1 1 6 6 ALA HB2 H 1 1.496 0.020 . . . . . . 6 ALA QB . 16504 1 36 . 1 1 6 6 ALA HB3 H 1 1.496 0.020 . . . . . . 6 ALA QB . 16504 1 37 . 1 1 7 7 SER H H 1 7.973 0.020 . . . . . . 7 SER H . 16504 1 38 . 1 1 7 7 SER HA H 1 4.158 0.020 . . . . . . 7 SER HA . 16504 1 39 . 1 1 7 7 SER HB2 H 1 3.835 0.020 . . . . . . 7 SER HB2 . 16504 1 40 . 1 1 7 7 SER HB3 H 1 3.989 0.020 . . . . . . 7 SER HB3 . 16504 1 41 . 1 1 8 8 MET H H 1 7.786 0.020 . . . . . . 8 MET H . 16504 1 42 . 1 1 8 8 MET HA H 1 4.276 0.020 . . . . . . 8 MET HA . 16504 1 43 . 1 1 8 8 MET HB2 H 1 2.085 0.020 . . . . . . 8 MET HB2 . 16504 1 44 . 1 1 8 8 MET HB3 H 1 2.190 0.020 . . . . . . 8 MET HB3 . 16504 1 45 . 1 1 8 8 MET HG2 H 1 2.557 0.020 . . . . . . 8 MET HG2 . 16504 1 46 . 1 1 8 8 MET HG3 H 1 2.628 0.020 . . . . . . 8 MET HG3 . 16504 1 47 . 1 1 9 9 LEU H H 1 8.056 0.020 . . . . . . 9 LEU H . 16504 1 48 . 1 1 9 9 LEU HA H 1 4.015 0.020 . . . . . . 9 LEU HA . 16504 1 49 . 1 1 9 9 LEU HB2 H 1 1.779 0.020 . . . . . . 9 LEU HB2 . 16504 1 50 . 1 1 9 9 LEU HB3 H 1 1.583 0.020 . . . . . . 9 LEU HB3 . 16504 1 51 . 1 1 9 9 LEU HD11 H 1 0.822 0.020 . . . . . . 9 LEU QQD . 16504 1 52 . 1 1 9 9 LEU HD12 H 1 0.822 0.020 . . . . . . 9 LEU QQD . 16504 1 53 . 1 1 9 9 LEU HD13 H 1 0.822 0.020 . . . . . . 9 LEU QQD . 16504 1 54 . 1 1 9 9 LEU HD21 H 1 0.822 0.020 . . . . . . 9 LEU QQD . 16504 1 55 . 1 1 9 9 LEU HD22 H 1 0.822 0.020 . . . . . . 9 LEU QQD . 16504 1 56 . 1 1 9 9 LEU HD23 H 1 0.822 0.020 . . . . . . 9 LEU QQD . 16504 1 57 . 1 1 9 9 LEU HG H 1 1.522 0.020 . . . . . . 9 LEU HG . 16504 1 58 . 1 1 10 10 CYS H H 1 8.043 0.020 . . . . . . 10 CYS H . 16504 1 59 . 1 1 10 10 CYS HA H 1 4.004 0.020 . . . . . . 10 CYS HA . 16504 1 60 . 1 1 10 10 CYS HB2 H 1 3.147 0.020 . . . . . . 10 CYS HB2 . 16504 1 61 . 1 1 10 10 CYS HB3 H 1 2.964 0.020 . . . . . . 10 CYS HB3 . 16504 1 62 . 1 1 11 11 LEU H H 1 8.044 0.020 . . . . . . 11 LEU H . 16504 1 63 . 1 1 11 11 LEU HA H 1 4.162 0.020 . . . . . . 11 LEU HA . 16504 1 64 . 1 1 11 11 LEU HB2 H 1 1.858 0.020 . . . . . . 11 LEU QB . 16504 1 65 . 1 1 11 11 LEU HB3 H 1 1.858 0.020 . . . . . . 11 LEU QB . 16504 1 66 . 1 1 11 11 LEU HD11 H 1 0.918 0.020 . . . . . . 11 LEU QQD . 16504 1 67 . 1 1 11 11 LEU HD12 H 1 0.918 0.020 . . . . . . 11 LEU QQD . 16504 1 68 . 1 1 11 11 LEU HD13 H 1 0.918 0.020 . . . . . . 11 LEU QQD . 16504 1 69 . 1 1 11 11 LEU HD21 H 1 0.918 0.020 . . . . . . 11 LEU QQD . 16504 1 70 . 1 1 11 11 LEU HD22 H 1 0.918 0.020 . . . . . . 11 LEU QQD . 16504 1 71 . 1 1 11 11 LEU HD23 H 1 0.918 0.020 . . . . . . 11 LEU QQD . 16504 1 72 . 1 1 11 11 LEU HG H 1 1.706 0.020 . . . . . . 11 LEU HG . 16504 1 73 . 1 1 12 12 LEU H H 1 8.618 0.020 . . . . . . 12 LEU H . 16504 1 74 . 1 1 12 12 LEU HA H 1 4.129 0.020 . . . . . . 12 LEU HA . 16504 1 75 . 1 1 12 12 LEU HB2 H 1 1.838 0.020 . . . . . . 12 LEU QB . 16504 1 76 . 1 1 12 12 LEU HB3 H 1 1.838 0.020 . . . . . . 12 LEU QB . 16504 1 77 . 1 1 12 12 LEU HD11 H 1 0.911 0.020 . . . . . . 12 LEU QQD . 16504 1 78 . 1 1 12 12 LEU HD12 H 1 0.911 0.020 . . . . . . 12 LEU QQD . 16504 1 79 . 1 1 12 12 LEU HD13 H 1 0.911 0.020 . . . . . . 12 LEU QQD . 16504 1 80 . 1 1 12 12 LEU HD21 H 1 0.911 0.020 . . . . . . 12 LEU QQD . 16504 1 81 . 1 1 12 12 LEU HD22 H 1 0.911 0.020 . . . . . . 12 LEU QQD . 16504 1 82 . 1 1 12 12 LEU HD23 H 1 0.911 0.020 . . . . . . 12 LEU QQD . 16504 1 83 . 1 1 12 12 LEU HG H 1 1.650 0.020 . . . . . . 12 LEU HG . 16504 1 84 . 1 1 13 13 ASN H H 1 8.246 0.020 . . . . . . 13 ASN H . 16504 1 85 . 1 1 13 13 ASN HA H 1 4.644 0.020 . . . . . . 13 ASN HA . 16504 1 86 . 1 1 13 13 ASN HB2 H 1 2.888 0.020 . . . . . . 13 ASN QB . 16504 1 87 . 1 1 13 13 ASN HB3 H 1 2.888 0.020 . . . . . . 13 ASN QB . 16504 1 88 . 1 1 13 13 ASN HD21 H 1 7.530 0.020 . . . . . . 13 ASN HD21 . 16504 1 89 . 1 1 13 13 ASN HD22 H 1 6.501 0.020 . . . . . . 13 ASN HD22 . 16504 1 90 . 1 1 14 14 SER H H 1 7.990 0.020 . . . . . . 14 SER H . 16504 1 91 . 1 1 14 14 SER HA H 1 4.496 0.020 . . . . . . 14 SER HA . 16504 1 92 . 1 1 14 14 SER HB2 H 1 4.130 0.020 . . . . . . 14 SER HB2 . 16504 1 93 . 1 1 14 14 SER HB3 H 1 4.083 0.020 . . . . . . 14 SER HB3 . 16504 1 94 . 1 1 15 15 THR H H 1 7.784 0.020 . . . . . . 15 THR H . 16504 1 95 . 1 1 15 15 THR HA H 1 4.418 0.020 . . . . . . 15 THR HA . 16504 1 96 . 1 1 15 15 THR HB H 1 4.335 0.020 . . . . . . 15 THR HB . 16504 1 97 . 1 1 15 15 THR HG21 H 1 1.296 0.020 . . . . . . 15 THR QG2 . 16504 1 98 . 1 1 15 15 THR HG22 H 1 1.296 0.020 . . . . . . 15 THR QG2 . 16504 1 99 . 1 1 15 15 THR HG23 H 1 1.296 0.020 . . . . . . 15 THR QG2 . 16504 1 100 . 1 1 16 16 VAL H H 1 7.895 0.020 . . . . . . 16 VAL H . 16504 1 101 . 1 1 16 16 VAL HA H 1 4.136 0.020 . . . . . . 16 VAL HA . 16504 1 102 . 1 1 16 16 VAL HB H 1 2.182 0.020 . . . . . . 16 VAL HB . 16504 1 103 . 1 1 16 16 VAL HG11 H 1 0.948 0.020 . . . . . . 16 VAL QG1 . 16504 1 104 . 1 1 16 16 VAL HG12 H 1 0.948 0.020 . . . . . . 16 VAL QG1 . 16504 1 105 . 1 1 16 16 VAL HG13 H 1 0.948 0.020 . . . . . . 16 VAL QG1 . 16504 1 106 . 1 1 16 16 VAL HG21 H 1 1.019 0.020 . . . . . . 16 VAL QG2 . 16504 1 107 . 1 1 16 16 VAL HG22 H 1 1.019 0.020 . . . . . . 16 VAL QG2 . 16504 1 108 . 1 1 16 16 VAL HG23 H 1 1.019 0.020 . . . . . . 16 VAL QG2 . 16504 1 109 . 1 1 17 17 ASN H H 1 7.755 0.020 . . . . . . 17 ASN H . 16504 1 110 . 1 1 17 17 ASN HA H 1 4.930 0.020 . . . . . . 17 ASN HA . 16504 1 111 . 1 1 17 17 ASN HB2 H 1 2.950 0.020 . . . . . . 17 ASN QB . 16504 1 112 . 1 1 17 17 ASN HB3 H 1 2.950 0.020 . . . . . . 17 ASN QB . 16504 1 113 . 1 1 17 17 ASN HD21 H 1 7.642 0.020 . . . . . . 17 ASN HD21 . 16504 1 114 . 1 1 17 17 ASN HD22 H 1 6.430 0.020 . . . . . . 17 ASN HD22 . 16504 1 115 . 1 1 18 18 PRO HA H 1 4.479 0.020 . . . . . . 18 PRO HA . 16504 1 116 . 1 1 18 18 PRO HB2 H 1 2.350 0.020 . . . . . . 18 PRO QB . 16504 1 117 . 1 1 18 18 PRO HB3 H 1 2.350 0.020 . . . . . . 18 PRO QB . 16504 1 118 . 1 1 18 18 PRO HD2 H 1 3.610 0.020 . . . . . . 18 PRO HD2 . 16504 1 119 . 1 1 18 18 PRO HD3 H 1 3.820 0.020 . . . . . . 18 PRO HD3 . 16504 1 120 . 1 1 18 18 PRO HG2 H 1 2.007 0.020 . . . . . . 18 PRO HG2 . 16504 1 121 . 1 1 18 18 PRO HG3 H 1 2.117 0.020 . . . . . . 18 PRO HG3 . 16504 1 122 . 1 1 19 19 ILE H H 1 7.785 0.020 . . . . . . 19 ILE H . 16504 1 123 . 1 1 19 19 ILE HA H 1 3.909 0.020 . . . . . . 19 ILE HA . 16504 1 124 . 1 1 19 19 ILE HB H 1 2.085 0.020 . . . . . . 19 ILE HB . 16504 1 125 . 1 1 19 19 ILE HD11 H 1 0.945 0.020 . . . . . . 19 ILE QD1 . 16504 1 126 . 1 1 19 19 ILE HD12 H 1 0.945 0.020 . . . . . . 19 ILE QD1 . 16504 1 127 . 1 1 19 19 ILE HD13 H 1 0.945 0.020 . . . . . . 19 ILE QD1 . 16504 1 128 . 1 1 19 19 ILE HG12 H 1 1.673 0.020 . . . . . . 19 ILE QG1 . 16504 1 129 . 1 1 19 19 ILE HG13 H 1 1.673 0.020 . . . . . . 19 ILE QG1 . 16504 1 130 . 1 1 20 20 ILE H H 1 7.680 0.020 . . . . . . 20 ILE H . 16504 1 131 . 1 1 20 20 ILE HA H 1 3.812 0.020 . . . . . . 20 ILE HA . 16504 1 132 . 1 1 20 20 ILE HB H 1 2.008 0.020 . . . . . . 20 ILE HB . 16504 1 133 . 1 1 20 20 ILE HD11 H 1 0.957 0.020 . . . . . . 20 ILE QD1 . 16504 1 134 . 1 1 20 20 ILE HD12 H 1 0.957 0.020 . . . . . . 20 ILE QD1 . 16504 1 135 . 1 1 20 20 ILE HD13 H 1 0.957 0.020 . . . . . . 20 ILE QD1 . 16504 1 136 . 1 1 20 20 ILE HG12 H 1 1.352 0.020 . . . . . . 20 ILE QG1 . 16504 1 137 . 1 1 20 20 ILE HG13 H 1 1.352 0.020 . . . . . . 20 ILE QG1 . 16504 1 138 . 1 1 21 21 TYR H H 1 8.159 0.020 . . . . . . 21 TYR H . 16504 1 139 . 1 1 21 21 TYR HA H 1 4.400 0.020 . . . . . . 21 TYR HA . 16504 1 140 . 1 1 21 21 TYR HB2 H 1 3.134 0.020 . . . . . . 21 TYR QB . 16504 1 141 . 1 1 21 21 TYR HB3 H 1 3.134 0.020 . . . . . . 21 TYR QB . 16504 1 142 . 1 1 21 21 TYR HD1 H 1 7.127 0.020 . . . . . . 21 TYR QD . 16504 1 143 . 1 1 21 21 TYR HD2 H 1 7.127 0.020 . . . . . . 21 TYR QD . 16504 1 144 . 1 1 21 21 TYR HE1 H 1 6.830 0.020 . . . . . . 21 TYR QE . 16504 1 145 . 1 1 21 21 TYR HE2 H 1 6.830 0.020 . . . . . . 21 TYR QE . 16504 1 146 . 1 1 22 22 ALA H H 1 8.204 0.020 . . . . . . 22 ALA H . 16504 1 147 . 1 1 22 22 ALA HA H 1 3.809 0.020 . . . . . . 22 ALA HA . 16504 1 148 . 1 1 22 22 ALA HB1 H 1 1.667 0.020 . . . . . . 22 ALA QB . 16504 1 149 . 1 1 22 22 ALA HB2 H 1 1.667 0.020 . . . . . . 22 ALA QB . 16504 1 150 . 1 1 22 22 ALA HB3 H 1 1.667 0.020 . . . . . . 22 ALA QB . 16504 1 151 . 1 1 23 23 LEU H H 1 8.510 0.020 . . . . . . 23 LEU H . 16504 1 152 . 1 1 23 23 LEU HA H 1 4.108 0.020 . . . . . . 23 LEU HA . 16504 1 153 . 1 1 23 23 LEU HB2 H 1 1.950 0.020 . . . . . . 23 LEU HB2 . 16504 1 154 . 1 1 23 23 LEU HB3 H 1 1.667 0.020 . . . . . . 23 LEU HB3 . 16504 1 155 . 1 1 23 23 LEU HD11 H 1 0.900 0.020 . . . . . . 23 LEU QD1 . 16504 1 156 . 1 1 23 23 LEU HD12 H 1 0.900 0.020 . . . . . . 23 LEU QD1 . 16504 1 157 . 1 1 23 23 LEU HD13 H 1 0.900 0.020 . . . . . . 23 LEU QD1 . 16504 1 158 . 1 1 23 23 LEU HD21 H 1 0.963 0.020 . . . . . . 23 LEU QD2 . 16504 1 159 . 1 1 23 23 LEU HD22 H 1 0.963 0.020 . . . . . . 23 LEU QD2 . 16504 1 160 . 1 1 23 23 LEU HD23 H 1 0.963 0.020 . . . . . . 23 LEU QD2 . 16504 1 161 . 1 1 23 23 LEU HG H 1 1.595 0.020 . . . . . . 23 LEU HG . 16504 1 162 . 1 1 24 24 ARG H H 1 8.698 0.020 . . . . . . 24 ARG H . 16504 1 163 . 1 1 24 24 ARG HA H 1 4.098 0.020 . . . . . . 24 ARG HA . 16504 1 164 . 1 1 24 24 ARG HB2 H 1 1.927 0.020 . . . . . . 24 ARG QB . 16504 1 165 . 1 1 24 24 ARG HB3 H 1 1.927 0.020 . . . . . . 24 ARG QB . 16504 1 166 . 1 1 24 24 ARG HD2 H 1 3.118 0.020 . . . . . . 24 ARG QD . 16504 1 167 . 1 1 24 24 ARG HD3 H 1 3.118 0.020 . . . . . . 24 ARG QD . 16504 1 168 . 1 1 24 24 ARG HG2 H 1 1.686 0.020 . . . . . . 24 ARG QG . 16504 1 169 . 1 1 24 24 ARG HG3 H 1 1.686 0.020 . . . . . . 24 ARG QG . 16504 1 170 . 1 1 25 25 SER H H 1 8.136 0.020 . . . . . . 25 SER H . 16504 1 171 . 1 1 25 25 SER HA H 1 4.148 0.020 . . . . . . 25 SER HA . 16504 1 172 . 1 1 25 25 SER HB2 H 1 3.794 0.020 . . . . . . 25 SER HB2 . 16504 1 173 . 1 1 25 25 SER HB3 H 1 3.976 0.020 . . . . . . 25 SER HB3 . 16504 1 174 . 1 1 26 26 LYS H H 1 7.916 0.020 . . . . . . 26 LYS H . 16504 1 175 . 1 1 26 26 LYS HA H 1 4.099 0.020 . . . . . . 26 LYS HA . 16504 1 176 . 1 1 26 26 LYS HB2 H 1 2.014 0.020 . . . . . . 26 LYS QB . 16504 1 177 . 1 1 26 26 LYS HB3 H 1 2.014 0.020 . . . . . . 26 LYS QB . 16504 1 178 . 1 1 26 26 LYS HD2 H 1 1.642 0.020 . . . . . . 26 LYS HD2 . 16504 1 179 . 1 1 26 26 LYS HD3 H 1 1.728 0.020 . . . . . . 26 LYS HD3 . 16504 1 180 . 1 1 26 26 LYS HE2 H 1 2.944 0.020 . . . . . . 26 LYS QE . 16504 1 181 . 1 1 26 26 LYS HE3 H 1 2.944 0.020 . . . . . . 26 LYS QE . 16504 1 182 . 1 1 26 26 LYS HG2 H 1 1.485 0.020 . . . . . . 26 LYS HG2 . 16504 1 183 . 1 1 26 26 LYS HG3 H 1 1.342 0.020 . . . . . . 26 LYS HG3 . 16504 1 184 . 1 1 27 27 ASP H H 1 8.263 0.020 . . . . . . 27 ASP H . 16504 1 185 . 1 1 27 27 ASP HA H 1 4.560 0.020 . . . . . . 27 ASP HA . 16504 1 186 . 1 1 27 27 ASP HB2 H 1 2.954 0.020 . . . . . . 27 ASP HB2 . 16504 1 187 . 1 1 27 27 ASP HB3 H 1 3.058 0.020 . . . . . . 27 ASP HB3 . 16504 1 188 . 1 1 28 28 LEU H H 1 8.328 0.020 . . . . . . 28 LEU H . 16504 1 189 . 1 1 28 28 LEU HA H 1 4.191 0.020 . . . . . . 28 LEU HA . 16504 1 190 . 1 1 28 28 LEU HB2 H 1 1.825 0.020 . . . . . . 28 LEU HB2 . 16504 1 191 . 1 1 28 28 LEU HB3 H 1 1.655 0.020 . . . . . . 28 LEU HB3 . 16504 1 192 . 1 1 28 28 LEU HD11 H 1 0.919 0.020 . . . . . . 28 LEU QQD . 16504 1 193 . 1 1 28 28 LEU HD12 H 1 0.919 0.020 . . . . . . 28 LEU QQD . 16504 1 194 . 1 1 28 28 LEU HD13 H 1 0.919 0.020 . . . . . . 28 LEU QQD . 16504 1 195 . 1 1 28 28 LEU HD21 H 1 0.919 0.020 . . . . . . 28 LEU QQD . 16504 1 196 . 1 1 28 28 LEU HD22 H 1 0.919 0.020 . . . . . . 28 LEU QQD . 16504 1 197 . 1 1 28 28 LEU HD23 H 1 0.919 0.020 . . . . . . 28 LEU QQD . 16504 1 198 . 1 1 28 28 LEU HG H 1 1.505 0.020 . . . . . . 28 LEU HG . 16504 1 199 . 1 1 29 29 ARG H H 1 8.122 0.020 . . . . . . 29 ARG H . 16504 1 200 . 1 1 29 29 ARG HA H 1 4.124 0.020 . . . . . . 29 ARG HA . 16504 1 201 . 1 1 29 29 ARG HB2 H 1 1.927 0.020 . . . . . . 29 ARG HB2 . 16504 1 202 . 1 1 29 29 ARG HB3 H 1 1.978 0.020 . . . . . . 29 ARG HB3 . 16504 1 203 . 1 1 29 29 ARG HD2 H 1 3.373 0.020 . . . . . . 29 ARG HD2 . 16504 1 204 . 1 1 29 29 ARG HD3 H 1 3.413 0.020 . . . . . . 29 ARG HD3 . 16504 1 205 . 1 1 29 29 ARG HG2 H 1 1.661 0.020 . . . . . . 29 ARG QG . 16504 1 206 . 1 1 29 29 ARG HG3 H 1 1.661 0.020 . . . . . . 29 ARG QG . 16504 1 207 . 1 1 30 30 HIS H H 1 8.150 0.020 . . . . . . 30 HIS H . 16504 1 208 . 1 1 30 30 HIS HA H 1 4.458 0.020 . . . . . . 30 HIS HA . 16504 1 209 . 1 1 30 30 HIS HB2 H 1 3.389 0.020 . . . . . . 30 HIS HB2 . 16504 1 210 . 1 1 30 30 HIS HB3 H 1 3.440 0.020 . . . . . . 30 HIS HB3 . 16504 1 211 . 1 1 30 30 HIS HD2 H 1 7.359 0.020 . . . . . . 30 HIS HD2 . 16504 1 212 . 1 1 31 31 ALA H H 1 8.277 0.020 . . . . . . 31 ALA H . 16504 1 213 . 1 1 31 31 ALA HA H 1 4.142 0.020 . . . . . . 31 ALA HA . 16504 1 214 . 1 1 31 31 ALA HB1 H 1 1.503 0.020 . . . . . . 31 ALA QB . 16504 1 215 . 1 1 31 31 ALA HB2 H 1 1.503 0.020 . . . . . . 31 ALA QB . 16504 1 216 . 1 1 31 31 ALA HB3 H 1 1.503 0.020 . . . . . . 31 ALA QB . 16504 1 217 . 1 1 32 32 PHE H H 1 8.417 0.020 . . . . . . 32 PHE H . 16504 1 218 . 1 1 32 32 PHE HA H 1 4.489 0.020 . . . . . . 32 PHE HA . 16504 1 219 . 1 1 32 32 PHE HB2 H 1 3.221 0.020 . . . . . . 32 PHE HB2 . 16504 1 220 . 1 1 32 32 PHE HB3 H 1 3.269 0.020 . . . . . . 32 PHE HB3 . 16504 1 221 . 1 1 32 32 PHE HD1 H 1 7.288 0.020 . . . . . . 32 PHE QD . 16504 1 222 . 1 1 32 32 PHE HD2 H 1 7.288 0.020 . . . . . . 32 PHE QD . 16504 1 223 . 1 1 33 33 ARG H H 1 8.077 0.020 . . . . . . 33 ARG H . 16504 1 224 . 1 1 33 33 ARG HA H 1 4.219 0.020 . . . . . . 33 ARG HA . 16504 1 225 . 1 1 33 33 ARG HB2 H 1 1.971 0.020 . . . . . . 33 ARG QB . 16504 1 226 . 1 1 33 33 ARG HB3 H 1 1.971 0.020 . . . . . . 33 ARG QB . 16504 1 227 . 1 1 33 33 ARG HG2 H 1 1.832 0.020 . . . . . . 33 ARG HG2 . 16504 1 228 . 1 1 33 33 ARG HG3 H 1 1.779 0.020 . . . . . . 33 ARG HG3 . 16504 1 229 . 1 1 34 34 SER H H 1 7.893 0.020 . . . . . . 34 SER H . 16504 1 230 . 1 1 34 34 SER HA H 1 4.384 0.020 . . . . . . 34 SER HA . 16504 1 231 . 1 1 34 34 SER HB2 H 1 3.879 0.020 . . . . . . 34 SER HB2 . 16504 1 232 . 1 1 34 34 SER HB3 H 1 3.981 0.020 . . . . . . 34 SER HB3 . 16504 1 233 . 1 1 35 35 MET H H 1 7.799 0.020 . . . . . . 35 MET H . 16504 1 234 . 1 1 35 35 MET HA H 1 4.309 0.020 . . . . . . 35 MET HA . 16504 1 235 . 1 1 35 35 MET HB2 H 1 1.886 0.020 . . . . . . 35 MET HB2 . 16504 1 236 . 1 1 35 35 MET HB3 H 1 1.781 0.020 . . . . . . 35 MET HB3 . 16504 1 237 . 1 1 35 35 MET HG2 H 1 2.364 0.020 . . . . . . 35 MET HG2 . 16504 1 238 . 1 1 35 35 MET HG3 H 1 2.472 0.020 . . . . . . 35 MET HG3 . 16504 1 239 . 1 1 36 36 PHE H H 1 7.743 0.020 . . . . . . 36 PHE H . 16504 1 240 . 1 1 36 36 PHE HA H 1 4.927 0.020 . . . . . . 36 PHE HA . 16504 1 241 . 1 1 36 36 PHE HB2 H 1 2.873 0.020 . . . . . . 36 PHE HB2 . 16504 1 242 . 1 1 36 36 PHE HB3 H 1 3.117 0.020 . . . . . . 36 PHE HB3 . 16504 1 243 . 1 1 36 36 PHE HD1 H 1 7.221 0.020 . . . . . . 36 PHE QD . 16504 1 244 . 1 1 36 36 PHE HD2 H 1 7.221 0.020 . . . . . . 36 PHE QD . 16504 1 245 . 1 1 37 37 PRO HA H 1 4.517 0.020 . . . . . . 37 PRO HA . 16504 1 246 . 1 1 37 37 PRO HB2 H 1 2.343 0.020 . . . . . . 37 PRO QB . 16504 1 247 . 1 1 37 37 PRO HB3 H 1 2.343 0.020 . . . . . . 37 PRO QB . 16504 1 248 . 1 1 37 37 PRO HD2 H 1 3.580 0.020 . . . . . . 37 PRO HD2 . 16504 1 249 . 1 1 37 37 PRO HD3 H 1 3.717 0.020 . . . . . . 37 PRO HD3 . 16504 1 250 . 1 1 37 37 PRO HG2 H 1 2.038 0.020 . . . . . . 37 PRO QG . 16504 1 251 . 1 1 37 37 PRO HG3 H 1 2.038 0.020 . . . . . . 37 PRO QG . 16504 1 252 . 1 1 38 38 SER H H 1 8.097 0.020 . . . . . . 38 SER H . 16504 1 253 . 1 1 38 38 SER HA H 1 4.531 0.020 . . . . . . 38 SER HA . 16504 1 254 . 1 1 38 38 SER HB2 H 1 3.914 0.020 . . . . . . 38 SER HB2 . 16504 1 255 . 1 1 38 38 SER HB3 H 1 3.982 0.020 . . . . . . 38 SER HB3 . 16504 1 256 . 1 1 39 39 ALA H H 1 8.217 0.020 . . . . . . 39 ALA H . 16504 1 257 . 1 1 39 39 ALA HA H 1 4.265 0.020 . . . . . . 39 ALA HA . 16504 1 258 . 1 1 39 39 ALA HB1 H 1 1.367 0.020 . . . . . . 39 ALA QB . 16504 1 259 . 1 1 39 39 ALA HB2 H 1 1.367 0.020 . . . . . . 39 ALA QB . 16504 1 260 . 1 1 39 39 ALA HB3 H 1 1.367 0.020 . . . . . . 39 ALA QB . 16504 1 stop_ save_