################################### # 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 19712 _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 NOESY . . . 19712 1 2 TOCSY . . . 19712 1 3 COSY . . . 19712 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 $CNS . . 19712 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 GLU H H 1 8.768 0.02 . . . . . A 1 GLU HN . 19712 1 2 . 1 1 1 1 GLU HA H 1 4.263 0.02 . . . . . A 1 GLU HA . 19712 1 3 . 1 1 1 1 GLU HB2 H 1 1.988 0.02 . . . . . A 1 GLU HB2 . 19712 1 4 . 1 1 1 1 GLU HB3 H 1 2.049 0.02 . . . . . A 1 GLU HB3 . 19712 1 5 . 1 1 1 1 GLU HG2 H 1 2.281 0.02 . . . . . A 1 GLU HG2 . 19712 1 6 . 1 1 1 1 GLU HG3 H 1 2.340 0.02 . . . . . A 1 GLU HG3 . 19712 1 7 . 1 1 2 2 GLY H H 1 8.546 0.02 . . . . . A 2 GLY HN . 19712 1 8 . 1 1 2 2 GLY HA2 H 1 3.962 0.02 . . . . . A 2 GLY HA2 . 19712 1 9 . 1 1 2 2 GLY HA3 H 1 3.962 0.02 . . . . . A 2 GLY HA3 . 19712 1 10 . 1 1 3 3 THR H H 1 7.955 0.02 . . . . . A 3 THR HN . 19712 1 11 . 1 1 3 3 THR HA H 1 4.288 0.02 . . . . . A 3 THR HA . 19712 1 12 . 1 1 3 3 THR HB H 1 4.101 0.02 . . . . . A 3 THR HB . 19712 1 13 . 1 1 3 3 THR HG21 H 1 1.081 0.02 . . . . . A 3 THR HG21 . 19712 1 14 . 1 1 3 3 THR HG22 H 1 1.081 0.02 . . . . . A 3 THR HG22 . 19712 1 15 . 1 1 3 3 THR HG23 H 1 1.081 0.02 . . . . . A 3 THR HG23 . 19712 1 16 . 1 1 4 4 PHE H H 1 8.373 0.02 . . . . . A 4 PHE HN . 19712 1 17 . 1 1 4 4 PHE HA H 1 4.727 0.02 . . . . . A 4 PHE HA . 19712 1 18 . 1 1 4 4 PHE HB2 H 1 3.031 0.02 . . . . . A 4 PHE HB2 . 19712 1 19 . 1 1 4 4 PHE HB3 H 1 3.165 0.02 . . . . . A 4 PHE HB3 . 19712 1 20 . 1 1 4 4 PHE HD1 H 1 7.237 0.02 . . . . . A 4 PHE HD2 . 19712 1 21 . 1 1 4 4 PHE HD2 H 1 7.237 0.02 . . . . . A 4 PHE HD . 19712 1 22 . 1 1 4 4 PHE HE1 H 1 7.315 0.02 . . . . . A 4 PHE HE1 . 19712 1 23 . 1 1 4 4 PHE HE2 H 1 7.315 0.02 . . . . . A 4 PHE HE2 . 19712 1 24 . 1 1 5 5 THR H H 1 8.058 0.02 . . . . . A 5 THR HN . 19712 1 25 . 1 1 5 5 THR HA H 1 4.324 0.02 . . . . . A 5 THR HA . 19712 1 26 . 1 1 5 5 THR HB H 1 4.208 0.02 . . . . . A 5 THR HB . 19712 1 27 . 1 1 5 5 THR HG21 H 1 1.170 0.02 . . . . . A 5 THR HG21 . 19712 1 28 . 1 1 5 5 THR HG22 H 1 1.170 0.02 . . . . . A 5 THR HG22 . 19712 1 29 . 1 1 5 5 THR HG23 H 1 1.170 0.02 . . . . . A 5 THR HG23 . 19712 1 30 . 1 1 6 6 SER H H 1 8.286 0.02 . . . . . A 6 SER HN . 19712 1 31 . 1 1 6 6 SER HA H 1 4.412 0.02 . . . . . A 6 SER HA . 19712 1 32 . 1 1 6 6 SER HB2 H 1 3.857 0.02 . . . . . A 6 SER HB2 . 19712 1 33 . 1 1 6 6 SER HB3 H 1 3.936 0.02 . . . . . A 6 SER HB3 . 19712 1 34 . 1 1 7 7 ASP H H 1 8.387 0.02 . . . . . A 7 ASP HN . 19712 1 35 . 1 1 7 7 ASP HA H 1 4.599 0.02 . . . . . A 7 ASP HA . 19712 1 36 . 1 1 7 7 ASP HB2 H 1 2.635 0.02 . . . . . A 7 ASP HB2 . 19712 1 37 . 1 1 7 7 ASP HB3 H 1 2.740 0.02 . . . . . A 7 ASP HB3 . 19712 1 38 . 1 1 8 8 LEU H H 1 8.244 0.02 . . . . . A 8 LEU HN . 19712 1 39 . 1 1 8 8 LEU HA H 1 4.284 0.02 . . . . . A 8 LEU HA . 19712 1 40 . 1 1 8 8 LEU HB2 H 1 1.649 0.02 . . . . . A 8 LEU HB2 . 19712 1 41 . 1 1 8 8 LEU HB3 H 1 1.649 0.02 . . . . . A 8 LEU HB3 . 19712 1 42 . 1 1 8 8 LEU HD11 H 1 0.909 0.02 . . . . . A 8 LEU HD11 . 19712 1 43 . 1 1 8 8 LEU HD12 H 1 0.909 0.02 . . . . . A 8 LEU HD12 . 19712 1 44 . 1 1 8 8 LEU HD13 H 1 0.909 0.02 . . . . . A 8 LEU HD13 . 19712 1 45 . 1 1 8 8 LEU HD21 H 1 0.851 0.02 . . . . . A 8 LEU HD21 . 19712 1 46 . 1 1 8 8 LEU HD22 H 1 0.851 0.02 . . . . . A 8 LEU HD22 . 19712 1 47 . 1 1 8 8 LEU HD23 H 1 0.851 0.02 . . . . . A 8 LEU HD23 . 19712 1 48 . 1 1 9 9 SER H H 1 8.252 0.02 . . . . . A 9 SER HN . 19712 1 49 . 1 1 9 9 SER HA H 1 4.291 0.02 . . . . . A 9 SER HA . 19712 1 50 . 1 1 9 9 SER HB2 H 1 3.942 0.02 . . . . . A 9 SER HB2 . 19712 1 51 . 1 1 9 9 SER HB3 H 1 4.004 0.02 . . . . . A 9 SER HB3 . 19712 1 52 . 1 1 10 10 LYS H H 1 8.093 0.02 . . . . . A 10 LYS HN . 19712 1 53 . 1 1 10 10 LYS HA H 1 4.218 0.02 . . . . . A 10 LYS HA . 19712 1 54 . 1 1 10 10 LYS HB2 H 1 1.840 0.02 . . . . . A 10 LYS HB2 . 19712 1 55 . 1 1 10 10 LYS HB3 H 1 1.890 0.02 . . . . . A 10 LYS HB3 . 19712 1 56 . 1 1 10 10 LYS HG2 H 1 1.417 0.02 . . . . . A 10 LYS HG2 . 19712 1 57 . 1 1 10 10 LYS HG3 H 1 1.484 0.02 . . . . . A 10 LYS HG3 . 19712 1 58 . 1 1 10 10 LYS HD2 H 1 1.685 0.02 . . . . . A 10 LYS HD2 . 19712 1 59 . 1 1 10 10 LYS HD3 H 1 1.685 0.02 . . . . . A 10 LYS HD3 . 19712 1 60 . 1 1 10 10 LYS HE2 H 1 2.986 0.02 . . . . . A 10 LYS HE2 . 19712 1 61 . 1 1 10 10 LYS HE3 H 1 2.986 0.02 . . . . . A 10 LYS HE . 19712 1 62 . 1 1 11 11 GLN H H 1 8.149 0.02 . . . . . A 11 GLN HN . 19712 1 63 . 1 1 11 11 GLN HA H 1 4.201 0.02 . . . . . A 11 GLN HA . 19712 1 64 . 1 1 11 11 GLN HB2 H 1 2.125 0.02 . . . . . A 11 GLN HB2 . 19712 1 65 . 1 1 11 11 GLN HB3 H 1 2.125 0.02 . . . . . A 11 GLN HB3 . 19712 1 66 . 1 1 11 11 GLN HG2 H 1 2.424 0.02 . . . . . A 11 GLN HG2 . 19712 1 67 . 1 1 11 11 GLN HG3 H 1 2.424 0.02 . . . . . A 11 GLN HG3 . 19712 1 68 . 1 1 11 11 GLN HE21 H 1 6.836 0.02 . . . . . A 11 GLN HE21 . 19712 1 69 . 1 1 11 11 GLN HE22 H 1 7.964 0.02 . . . . . A 11 GLN HE22 . 19712 1 70 . 1 1 12 12 MET H H 1 8.196 0.02 . . . . . A 12 MET HN . 19712 1 71 . 1 1 12 12 MET HA H 1 4.317 0.02 . . . . . A 12 MET HA . 19712 1 72 . 1 1 12 12 MET HB2 H 1 2.132 0.02 . . . . . A 12 MET HB2 . 19712 1 73 . 1 1 12 12 MET HB3 H 1 2.132 0.02 . . . . . A 12 MET HB3 . 19712 1 74 . 1 1 12 12 MET HG2 H 1 2.577 0.02 . . . . . A 12 MET HG2 . 19712 1 75 . 1 1 12 12 MET HG3 H 1 2.694 0.02 . . . . . A 12 MET HG3 . 19712 1 76 . 1 1 12 12 MET HE1 H 1 2.058 0.02 . . . . . A 12 MET HE1 . 19712 1 77 . 1 1 12 12 MET HE2 H 1 2.058 0.02 . . . . . A 12 MET HE2 . 19712 1 78 . 1 1 12 12 MET HE3 H 1 2.058 0.02 . . . . . A 12 MET HE3 . 19712 1 79 . 1 1 13 13 GLU H H 1 8.288 0.02 . . . . . A 13 GLU HN . 19712 1 80 . 1 1 13 13 GLU HA H 1 4.128 0.02 . . . . . A 13 GLU HA . 19712 1 81 . 1 1 13 13 GLU HB2 H 1 2.140 0.02 . . . . . A 13 GLU HB2 . 19712 1 82 . 1 1 13 13 GLU HB3 H 1 2.140 0.02 . . . . . A 13 GLU HB3 . 19712 1 83 . 1 1 13 13 GLU HG2 H 1 2.234 0.02 . . . . . A 13 GLU HG2 . 19712 1 84 . 1 1 13 13 GLU HG3 H 1 2.347 0.02 . . . . . A 13 GLU HG3 . 19712 1 85 . 1 1 14 14 GLU H H 1 8.322 0.02 . . . . . A 14 GLU HN . 19712 1 86 . 1 1 14 14 GLU HA H 1 4.059 0.02 . . . . . A 14 GLU HA . 19712 1 87 . 1 1 14 14 GLU HB2 H 1 2.169 0.02 . . . . . A 14 GLU HB2 . 19712 1 88 . 1 1 14 14 GLU HB3 H 1 2.169 0.02 . . . . . A 14 GLU HB3 . 19712 1 89 . 1 1 14 14 GLU HG2 H 1 2.311 0.02 . . . . . A 14 GLU HG2 . 19712 1 90 . 1 1 14 14 GLU HG3 H 1 2.477 0.02 . . . . . A 14 GLU HG3 . 19712 1 91 . 1 1 15 15 GLU H H 1 8.294 0.02 . . . . . A 15 GLU HN . 19712 1 92 . 1 1 15 15 GLU HA H 1 4.205 0.02 . . . . . A 15 GLU HA . 19712 1 93 . 1 1 15 15 GLU HB2 H 1 2.062 0.02 . . . . . A 15 GLU HB2 . 19712 1 94 . 1 1 15 15 GLU HB3 H 1 2.139 0.02 . . . . . A 15 GLU HB3 . 19712 1 95 . 1 1 15 15 GLU HG2 H 1 2.254 0.02 . . . . . A 15 GLU HG2 . 19712 1 96 . 1 1 15 15 GLU HG3 H 1 2.349 0.02 . . . . . A 15 GLU HG3 . 19712 1 97 . 1 1 16 16 ALA H H 1 8.030 0.02 . . . . . A 16 DAL HN . 19712 1 98 . 1 1 16 16 ALA HA H 1 4.137 0.02 . . . . . A 16 DAL HA . 19712 1 99 . 1 1 16 16 ALA HB1 H 1 1.568 0.02 . . . . . A 16 DAL HB1 . 19712 1 100 . 1 1 16 16 ALA HB2 H 1 1.568 0.02 . . . . . A 16 DAL HB2 . 19712 1 101 . 1 1 16 16 ALA HB3 H 1 1.568 0.02 . . . . . A 16 DAL HB3 . 19712 1 102 . 1 1 17 17 VAL H H 1 7.982 0.02 . . . . . A 17 VAL HN . 19712 1 103 . 1 1 17 17 VAL HA H 1 3.772 0.02 . . . . . A 17 VAL HA . 19712 1 104 . 1 1 17 17 VAL HB H 1 2.257 0.02 . . . . . A 17 VAL HB . 19712 1 105 . 1 1 17 17 VAL HG11 H 1 1.133 0.02 . . . . . A 17 VAL HG11 . 19712 1 106 . 1 1 17 17 VAL HG12 H 1 1.133 0.02 . . . . . A 17 VAL HG12 . 19712 1 107 . 1 1 17 17 VAL HG13 H 1 1.133 0.02 . . . . . A 17 VAL HG13 . 19712 1 108 . 1 1 17 17 VAL HG21 H 1 1.073 0.02 . . . . . A 17 VAL HG21 . 19712 1 109 . 1 1 17 17 VAL HG22 H 1 1.073 0.02 . . . . . A 17 VAL HG22 . 19712 1 110 . 1 1 17 17 VAL HG23 H 1 1.073 0.02 . . . . . A 17 VAL HG23 . 19712 1 111 . 1 1 18 18 ARG H H 1 7.961 0.02 . . . . . A 18 ARG HN . 19712 1 112 . 1 1 18 18 ARG HA H 1 4.001 0.02 . . . . . A 18 ARG HA . 19712 1 113 . 1 1 18 18 ARG HB2 H 1 2.021 0.02 . . . . . A 18 ARG HB2 . 19712 1 114 . 1 1 18 18 ARG HB3 H 1 2.021 0.02 . . . . . A 18 ARG HB3 . 19712 1 115 . 1 1 18 18 ARG HG2 H 1 1.597 0.02 . . . . . A 18 ARG HG2 . 19712 1 116 . 1 1 18 18 ARG HG3 H 1 1.807 0.02 . . . . . A 18 ARG HG3 . 19712 1 117 . 1 1 18 18 ARG HD2 H 1 3.228 0.02 . . . . . A 18 ARG HD2 . 19712 1 118 . 1 1 18 18 ARG HD3 H 1 3.287 0.02 . . . . . A 18 ARG HD3 . 19712 1 119 . 1 1 19 19 LEU H H 1 8.391 0.02 . . . . . A 19 LEU HN . 19712 1 120 . 1 1 19 19 LEU HA H 1 4.132 0.02 . . . . . A 19 LEU HA . 19712 1 121 . 1 1 19 19 LEU HB2 H 1 1.896 0.02 . . . . . A 19 LEU HB2 . 19712 1 122 . 1 1 19 19 LEU HB3 H 1 1.976 0.02 . . . . . A 19 LEU HB3 . 19712 1 123 . 1 1 19 19 LEU HG H 1 1.413 0.02 . . . . . A 19 LEU HG . 19712 1 124 . 1 1 19 19 LEU HD11 H 1 0.947 0.02 . . . . . A 19 LEU HD11 . 19712 1 125 . 1 1 19 19 LEU HD12 H 1 0.947 0.02 . . . . . A 19 LEU HD12 . 19712 1 126 . 1 1 19 19 LEU HD13 H 1 0.947 0.02 . . . . . A 19 LEU HD13 . 19712 1 127 . 1 1 19 19 LEU HD21 H 1 0.907 0.02 . . . . . A 19 LEU HD21 . 19712 1 128 . 1 1 19 19 LEU HD22 H 1 0.907 0.02 . . . . . A 19 LEU HD22 . 19712 1 129 . 1 1 19 19 LEU HD23 H 1 0.907 0.02 . . . . . A 19 LEU HD23 . 19712 1 130 . 1 1 20 20 TYR H H 1 8.373 0.02 . . . . . A 20 TYR HN . 19712 1 131 . 1 1 20 20 TYR HA H 1 4.108 0.02 . . . . . A 20 TYR HA . 19712 1 132 . 1 1 20 20 TYR HB2 H 1 3.007 0.02 . . . . . A 20 TYR HB2 . 19712 1 133 . 1 1 20 20 TYR HB3 H 1 3.138 0.02 . . . . . A 20 TYR HB3 . 19712 1 134 . 1 1 20 20 TYR HD1 H 1 6.811 0.02 . . . . . A 20 TYR HD1 . 19712 1 135 . 1 1 20 20 TYR HD2 H 1 6.811 0.02 . . . . . A 20 TYR HD . 19712 1 136 . 1 1 20 20 TYR HE1 H 1 6.692 0.02 . . . . . A 20 TYR HE1 . 19712 1 137 . 1 1 20 20 TYR HE2 H 1 6.692 0.02 . . . . . A 20 TYR HE2 . 19712 1 138 . 1 1 21 21 ILE H H 1 8.691 0.02 . . . . . A 21 ILE HN . 19712 1 139 . 1 1 21 21 ILE HA H 1 3.633 0.02 . . . . . A 21 ILE HA . 19712 1 140 . 1 1 21 21 ILE HB H 1 2.040 0.02 . . . . . A 21 ILE HB . 19712 1 141 . 1 1 21 21 ILE HG12 H 1 1.878 0.02 . . . . . A 21 ILE HG12 . 19712 1 142 . 1 1 21 21 ILE HG13 H 1 1.330 0.02 . . . . . A 21 ILE HG13 . 19712 1 143 . 1 1 21 21 ILE HG21 H 1 0.950 0.02 . . . . . A 21 ILE HG21 . 19712 1 144 . 1 1 21 21 ILE HG22 H 1 0.950 0.02 . . . . . A 21 ILE HG22 . 19712 1 145 . 1 1 21 21 ILE HG23 H 1 0.950 0.02 . . . . . A 21 ILE HG23 . 19712 1 146 . 1 1 21 21 ILE HD11 H 1 0.912 0.02 . . . . . A 21 ILE HD11 . 19712 1 147 . 1 1 21 21 ILE HD12 H 1 0.912 0.02 . . . . . A 21 ILE HD12 . 19712 1 148 . 1 1 21 21 ILE HD13 H 1 0.912 0.02 . . . . . A 21 ILE HD13 . 19712 1 149 . 1 1 22 22 GLN H H 1 7.885 0.02 . . . . . A 22 GLN HN . 19712 1 150 . 1 1 22 22 GLN HA H 1 3.981 0.02 . . . . . A 22 GLN HA . 19712 1 151 . 1 1 22 22 GLN HB2 H 1 2.158 0.02 . . . . . A 22 GLN HB2 . 19712 1 152 . 1 1 22 22 GLN HB3 H 1 2.223 0.02 . . . . . A 22 GLN HB3 . 19712 1 153 . 1 1 22 22 GLN HG2 H 1 2.422 0.02 . . . . . A 22 GLN HG2 . 19712 1 154 . 1 1 22 22 GLN HG3 H 1 2.422 0.02 . . . . . A 22 GLN HG3 . 19712 1 155 . 1 1 22 22 GLN HE21 H 1 6.787 0.02 . . . . . A 22 GLN HE21 . 19712 1 156 . 1 1 22 22 GLN HE22 H 1 7.535 0.02 . . . . . A 22 GLN HE22 . 19712 1 157 . 1 1 23 23 TRP H H 1 7.954 0.02 . . . . . A 23 TRP HN . 19712 1 158 . 1 1 23 23 TRP HA H 1 4.188 0.02 . . . . . A 23 TRP HA . 19712 1 159 . 1 1 23 23 TRP HB2 H 1 3.144 0.02 . . . . . A 23 TRP HB2 . 19712 1 160 . 1 1 23 23 TRP HB3 H 1 3.604 0.02 . . . . . A 23 TRP HB3 . 19712 1 161 . 1 1 23 23 TRP HD1 H 1 7.004 0.02 . . . . . A 23 TRP HD1 . 19712 1 162 . 1 1 23 23 TRP HE1 H 1 9.639 0.02 . . . . . A 23 TRP HE1 . 19712 1 163 . 1 1 23 23 TRP HE3 H 1 7.084 0.02 . . . . . A 23 TRP HE3 . 19712 1 164 . 1 1 23 23 TRP HZ2 H 1 7.204 0.02 . . . . . A 23 TRP HZ2 . 19712 1 165 . 1 1 23 23 TRP HZ3 H 1 7.064 0.02 . . . . . A 23 TRP HZ3 . 19712 1 166 . 1 1 23 23 TRP HH2 H 1 7.157 0.02 . . . . . A 23 TRP HH2 . 19712 1 167 . 1 1 24 24 LEU H H 1 8.488 0.02 . . . . . A 24 LEU HN . 19712 1 168 . 1 1 24 24 LEU HA H 1 3.329 0.02 . . . . . A 24 LEU HA . 19712 1 169 . 1 1 24 24 LEU HB2 H 1 1.300 0.02 . . . . . A 24 LEU HB2 . 19712 1 170 . 1 1 24 24 LEU HB3 H 1 1.931 0.02 . . . . . A 24 LEU HB3 . 19712 1 171 . 1 1 24 24 LEU HG H 1 1.564 0.02 . . . . . A 24 LEU HG . 19712 1 172 . 1 1 24 24 LEU HD11 H 1 0.857 0.02 . . . . . A 24 LEU HD11 . 19712 1 173 . 1 1 24 24 LEU HD12 H 1 0.857 0.02 . . . . . A 24 LEU HD12 . 19712 1 174 . 1 1 24 24 LEU HD13 H 1 0.857 0.02 . . . . . A 24 LEU HD13 . 19712 1 175 . 1 1 24 24 LEU HD21 H 1 0.774 0.02 . . . . . A 24 LEU HD21 . 19712 1 176 . 1 1 24 24 LEU HD22 H 1 0.774 0.02 . . . . . A 24 LEU HD22 . 19712 1 177 . 1 1 24 24 LEU HD23 H 1 0.774 0.02 . . . . . A 24 LEU HD23 . 19712 1 178 . 1 1 25 25 LYS H H 1 8.387 0.02 . . . . . A 25 LYS HN . 19712 1 179 . 1 1 25 25 LYS HA H 1 3.955 0.02 . . . . . A 25 LYS HA . 19712 1 180 . 1 1 25 25 LYS HB2 H 1 1.952 0.02 . . . . . A 25 LYS HB2 . 19712 1 181 . 1 1 25 25 LYS HB3 H 1 1.952 0.02 . . . . . A 25 LYS HB3 . 19712 1 182 . 1 1 25 25 LYS HG2 H 1 1.424 0.02 . . . . . A 25 LYS HG2 . 19712 1 183 . 1 1 25 25 LYS HG3 H 1 1.424 0.02 . . . . . A 25 LYS HG3 . 19712 1 184 . 1 1 25 25 LYS HD2 H 1 1.638 0.02 . . . . . A 25 LYS HD2 . 19712 1 185 . 1 1 25 25 LYS HD3 H 1 1.638 0.02 . . . . . A 25 LYS HD3 . 19712 1 186 . 1 1 25 25 LYS HE2 H 1 2.920 0.02 . . . . . A 25 LYS HE2 . 19712 1 187 . 1 1 25 25 LYS HE3 H 1 2.920 0.02 . . . . . A 25 LYS HE . 19712 1 188 . 1 1 26 26 GLU H H 1 7.618 0.02 . . . . . A 26 GLU HN . 19712 1 189 . 1 1 26 26 GLU HA H 1 4.174 0.02 . . . . . A 26 GLU HA . 19712 1 190 . 1 1 26 26 GLU HB2 H 1 1.970 0.02 . . . . . A 26 GLU HB2 . 19712 1 191 . 1 1 26 26 GLU HB3 H 1 1.970 0.02 . . . . . A 26 GLU HB3 . 19712 1 192 . 1 1 26 26 GLU HG2 H 1 2.224 0.02 . . . . . A 26 GLU HG2 . 19712 1 193 . 1 1 26 26 GLU HG3 H 1 2.533 0.02 . . . . . A 26 GLU HG3 . 19712 1 194 . 1 1 27 27 GLY H H 1 7.525 0.02 . . . . . A 27 GLY HN . 19712 1 195 . 1 1 27 27 GLY HA2 H 1 3.476 0.02 . . . . . A 27 GLY HA2 . 19712 1 196 . 1 1 27 27 GLY HA3 H 1 4.124 0.02 . . . . . A 27 GLY HA3 . 19712 1 197 . 1 1 28 28 GLY H H 1 8.225 0.02 . . . . . A 28 GLY HN . 19712 1 198 . 1 1 28 28 GLY HA2 H 1 1.040 0.02 . . . . . A 28 GLY HA2 . 19712 1 199 . 1 1 28 28 GLY HA3 H 1 3.013 0.02 . . . . . A 28 GLY HA3 . 19712 1 200 . 1 1 29 29 PRO HA H 1 4.561 0.02 . . . . . A 29 PRO HA . 19712 1 201 . 1 1 29 29 PRO HB2 H 1 2.035 0.02 . . . . . A 29 PRO HB2 . 19712 1 202 . 1 1 29 29 PRO HB3 H 1 2.486 0.02 . . . . . A 29 PRO HB3 . 19712 1 203 . 1 1 29 29 PRO HG2 H 1 2.103 0.02 . . . . . A 29 PRO HG2 . 19712 1 204 . 1 1 29 29 PRO HG3 H 1 2.103 0.02 . . . . . A 29 PRO HG3 . 19712 1 205 . 1 1 29 29 PRO HD2 H 1 3.272 0.02 . . . . . A 29 PRO HD2 . 19712 1 206 . 1 1 29 29 PRO HD3 H 1 3.747 0.02 . . . . . A 29 PRO HD3 . 19712 1 207 . 1 1 30 30 SER H H 1 7.737 0.02 . . . . . A 30 SER HN . 19712 1 208 . 1 1 30 30 SER HA H 1 4.442 0.02 . . . . . A 30 SER HA . 19712 1 209 . 1 1 30 30 SER HB2 H 1 3.912 0.02 . . . . . A 30 SER HB2 . 19712 1 210 . 1 1 30 30 SER HB3 H 1 3.912 0.02 . . . . . A 30 SER HB3 . 19712 1 211 . 1 1 31 31 SER H H 1 8.130 0.02 . . . . . A 31 SER HN . 19712 1 212 . 1 1 31 31 SER HA H 1 4.213 0.02 . . . . . A 31 SER HA . 19712 1 213 . 1 1 31 31 SER HB2 H 1 3.583 0.02 . . . . . A 31 SER HB2 . 19712 1 214 . 1 1 31 31 SER HB3 H 1 3.911 0.02 . . . . . A 31 SER HB3 . 19712 1 215 . 1 1 32 32 GLY H H 1 7.927 0.02 . . . . . A 32 GLY HN . 19712 1 216 . 1 1 32 32 GLY HA2 H 1 3.824 0.02 . . . . . A 32 GLY HA2 . 19712 1 217 . 1 1 32 32 GLY HA3 H 1 4.227 0.02 . . . . . A 32 GLY HA3 . 19712 1 218 . 1 1 33 33 ARG H H 1 8.070 0.02 . . . . . A 33 ARG HN . 19712 1 219 . 1 1 33 33 ARG HA H 1 4.954 0.02 . . . . . A 33 ARG HA . 19712 1 220 . 1 1 33 33 ARG HB2 H 1 1.867 0.02 . . . . . A 33 ARG HB2 . 19712 1 221 . 1 1 33 33 ARG HB3 H 1 1.867 0.02 . . . . . A 33 ARG HB3 . 19712 1 222 . 1 1 33 33 ARG HG2 H 1 1.668 0.02 . . . . . A 33 ARG HG2 . 19712 1 223 . 1 1 33 33 ARG HG3 H 1 1.762 0.02 . . . . . A 33 ARG HG3 . 19712 1 224 . 1 1 33 33 ARG HD2 H 1 3.265 0.02 . . . . . A 33 ARG HD2 . 19712 1 225 . 1 1 33 33 ARG HD3 H 1 3.265 0.02 . . . . . A 33 ARG HD3 . 19712 1 226 . 1 1 34 34 PRO HA H 1 4.748 0.02 . . . . . A 34 PRO HA . 19712 1 227 . 1 1 34 34 PRO HB2 H 1 1.824 0.02 . . . . . A 34 PRO HB2 . 19712 1 228 . 1 1 34 34 PRO HB3 H 1 2.335 0.02 . . . . . A 34 PRO HB3 . 19712 1 229 . 1 1 34 34 PRO HG2 H 1 2.007 0.02 . . . . . A 34 PRO HG2 . 19712 1 230 . 1 1 34 34 PRO HG3 H 1 2.007 0.02 . . . . . A 34 PRO HG3 . 19712 1 231 . 1 1 34 34 PRO HD2 H 1 3.665 0.02 . . . . . A 34 PRO HD2 . 19712 1 232 . 1 1 34 34 PRO HD3 H 1 3.863 0.02 . . . . . A 34 PRO HD3 . 19712 1 233 . 1 1 35 35 PRO HA H 1 2.664 0.02 . . . . . A 35 PRO HA . 19712 1 234 . 1 1 35 35 PRO HB2 H 1 0.519 0.02 . . . . . A 35 PRO HB2 . 19712 1 235 . 1 1 35 35 PRO HB3 H 1 1.362 0.02 . . . . . A 35 PRO HB3 . 19712 1 236 . 1 1 35 35 PRO HG2 H 1 1.581 0.02 . . . . . A 35 PRO HG2 . 19712 1 237 . 1 1 35 35 PRO HG3 H 1 1.730 0.02 . . . . . A 35 PRO HG3 . 19712 1 238 . 1 1 35 35 PRO HD2 H 1 3.496 0.02 . . . . . A 35 PRO HD2 . 19712 1 239 . 1 1 35 35 PRO HD3 H 1 3.496 0.02 . . . . . A 35 PRO HD3 . 19712 1 240 . 1 1 36 36 PRO HA H 1 4.314 0.02 . . . . . A 36 PRO HA . 19712 1 241 . 1 1 36 36 PRO HB2 H 1 2.032 0.02 . . . . . A 36 PRO HB2 . 19712 1 242 . 1 1 36 36 PRO HB3 H 1 2.234 0.02 . . . . . A 36 PRO HB3 . 19712 1 243 . 1 1 36 36 PRO HG2 H 1 1.820 0.02 . . . . . A 36 PRO HG2 . 19712 1 244 . 1 1 36 36 PRO HG3 H 1 1.950 0.02 . . . . . A 36 PRO HG3 . 19712 1 245 . 1 1 36 36 PRO HD2 H 1 2.961 0.02 . . . . . A 36 PRO HD2 . 19712 1 246 . 1 1 36 36 PRO HD3 H 1 3.089 0.02 . . . . . A 36 PRO HD3 . 19712 1 247 . 1 1 37 37 SER H H 1 7.707 0.02 . . . . . A 37 SER HN . 19712 1 248 . 1 1 37 37 SER HA H 1 4.213 0.02 . . . . . A 37 SER HA . 19712 1 249 . 1 1 37 37 SER HB2 H 1 3.827 0.02 . . . . . A 37 SER HB2 . 19712 1 250 . 1 1 37 37 SER HB3 H 1 3.827 0.02 . . . . . A 37 SER HB3 . 19712 1 stop_ save_