################################### # 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 34755 _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 $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-13C HSQC aliphatic' . . . 34755 1 2 '2D 1H-13C HSQC aromatic' . . . 34755 1 3 '2D 1H-1H TOCSY' . . . 34755 1 4 '2D 1H-1H NOESY' . . . 34755 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 1 1 PHE HA H 1 4.1600 0.0000 . 1 . . . . A 1 PHE HA . 34755 1 2 . 1 . 1 1 1 PHE HB2 H 1 3.1600 0.0000 . 2 . . . . A 1 PHE HB2 . 34755 1 3 . 1 . 1 1 1 PHE HB3 H 1 3.3800 0.0000 . 2 . . . . A 1 PHE HB3 . 34755 1 4 . 1 . 1 1 1 PHE HD1 H 1 7.2100 0.0000 . 3 . . . . A 1 PHE HD1 . 34755 1 5 . 1 . 1 1 1 PHE HD2 H 1 7.1300 0.0000 . 3 . . . . A 1 PHE HD2 . 34755 1 6 . 1 . 1 1 1 PHE HE1 H 1 7.2100 0.0000 . 3 . . . . A 1 PHE HE1 . 34755 1 7 . 1 . 1 1 1 PHE HE2 H 1 7.2100 0.0000 . 3 . . . . A 1 PHE HE2 . 34755 1 8 . 1 . 1 1 1 PHE HZ H 1 7.1300 0.0000 . 1 . . . . A 1 PHE HZ . 34755 1 9 . 1 . 1 1 1 PHE CA C 13 59.0000 0.0000 . 1 . . . . A 1 PHE CA . 34755 1 10 . 1 . 1 1 1 PHE CB C 13 39.7000 0.0000 . 1 . . . . A 1 PHE CB . 34755 1 11 . 1 . 1 1 1 PHE CD1 C 13 132.0000 0.0000 . 3 . . . . A 1 PHE CD1 . 34755 1 12 . 1 . 1 1 1 PHE CD2 C 13 132.0000 0.0000 . 3 . . . . A 1 PHE CD2 . 34755 1 13 . 1 . 1 1 1 PHE CE1 C 13 131.0000 0.0000 . 3 . . . . A 1 PHE CE1 . 34755 1 14 . 1 . 1 1 1 PHE CE2 C 13 131.0000 0.0000 . 3 . . . . A 1 PHE CE2 . 34755 1 15 . 1 . 1 1 1 PHE CZ C 13 129.5000 0.0000 . 1 . . . . A 1 PHE CZ . 34755 1 16 . 1 . 1 2 2 LEU HA H 1 3.8300 0.0000 . 1 . . . . A 2 LEU HA . 34755 1 17 . 1 . 1 2 2 LEU HB2 H 1 1.5700 0.0000 . 2 . . . . A 2 LEU HB2 . 34755 1 18 . 1 . 1 2 2 LEU HB3 H 1 1.7200 0.0000 . 2 . . . . A 2 LEU HB3 . 34755 1 19 . 1 . 1 2 2 LEU HG H 1 1.7200 0.0000 . 1 . . . . A 2 LEU HG . 34755 1 20 . 1 . 1 2 2 LEU HD11 H 1 0.7800 0.0000 . 2 . . . . A 2 LEU HD11 . 34755 1 21 . 1 . 1 2 2 LEU HD12 H 1 0.7800 0.0000 . 2 . . . . A 2 LEU HD12 . 34755 1 22 . 1 . 1 2 2 LEU HD13 H 1 0.7800 0.0000 . 2 . . . . A 2 LEU HD13 . 34755 1 23 . 1 . 1 2 2 LEU HD21 H 1 0.8500 0.0000 . 2 . . . . A 2 LEU HD21 . 34755 1 24 . 1 . 1 2 2 LEU HD22 H 1 0.8500 0.0000 . 2 . . . . A 2 LEU HD22 . 34755 1 25 . 1 . 1 2 2 LEU HD23 H 1 0.8500 0.0000 . 2 . . . . A 2 LEU HD23 . 34755 1 26 . 1 . 1 2 2 LEU CA C 13 57.6000 0.0000 . 1 . . . . A 2 LEU CA . 34755 1 27 . 1 . 1 2 2 LEU CB C 13 41.3000 0.0000 . 1 . . . . A 2 LEU CB . 34755 1 28 . 1 . 1 2 2 LEU CG C 13 26.9000 0.0000 . 1 . . . . A 2 LEU CG . 34755 1 29 . 1 . 1 2 2 LEU CD1 C 13 23.3000 0.0000 . 2 . . . . A 2 LEU CD1 . 34755 1 30 . 1 . 1 2 2 LEU CD2 C 13 25.2000 0.0000 . 2 . . . . A 2 LEU CD2 . 34755 1 31 . 1 . 1 3 3 GLY H H 1 8.8400 0.0000 . 1 . . . . A 3 GLY H . 34755 1 32 . 1 . 1 3 3 GLY HA2 H 1 3.9300 0.0000 . 2 . . . . A 3 GLY HA2 . 34755 1 33 . 1 . 1 3 3 GLY HA3 H 1 3.5700 0.0000 . 2 . . . . A 3 GLY HA3 . 34755 1 34 . 1 . 1 4 4 MET H H 1 7.9300 0.0000 . 1 . . . . A 4 MET H . 34755 1 35 . 1 . 1 4 4 MET HA H 1 4.2000 0.0000 . 1 . . . . A 4 MET HA . 34755 1 36 . 1 . 1 4 4 MET HB2 H 1 2.0400 0.0000 . 2 . . . . A 4 MET HB2 . 34755 1 37 . 1 . 1 4 4 MET HB3 H 1 2.0700 0.0000 . 2 . . . . A 4 MET HB3 . 34755 1 38 . 1 . 1 4 4 MET HG2 H 1 2.4400 0.0000 . 2 . . . . A 4 MET HG2 . 34755 1 39 . 1 . 1 4 4 MET HG3 H 1 2.6200 0.0000 . 2 . . . . A 4 MET HG3 . 34755 1 40 . 1 . 1 4 4 MET HE1 H 1 1.9900 0.0000 . 1 . . . . A 4 MET HE1 . 34755 1 41 . 1 . 1 4 4 MET HE2 H 1 1.9900 0.0000 . 1 . . . . A 4 MET HE2 . 34755 1 42 . 1 . 1 4 4 MET HE3 H 1 1.9900 0.0000 . 1 . . . . A 4 MET HE3 . 34755 1 43 . 1 . 1 4 4 MET CA C 13 57.8000 0.0000 . 1 . . . . A 4 MET CA . 34755 1 44 . 1 . 1 4 4 MET CB C 13 31.8000 0.0000 . 1 . . . . A 4 MET CB . 34755 1 45 . 1 . 1 4 4 MET CG C 13 31.7000 0.0000 . 1 . . . . A 4 MET CG . 34755 1 46 . 1 . 1 4 4 MET CE C 13 16.9000 0.0000 . 1 . . . . A 4 MET CE . 34755 1 47 . 1 . 1 5 5 LEU H H 1 7.8300 0.0000 . 1 . . . . A 5 LEU H . 34755 1 48 . 1 . 1 5 5 LEU HA H 1 4.0100 0.0000 . 1 . . . . A 5 LEU HA . 34755 1 49 . 1 . 1 5 5 LEU HB2 H 1 1.5300 0.0000 . 2 . . . . A 5 LEU HB2 . 34755 1 50 . 1 . 1 5 5 LEU HB3 H 1 1.6200 0.0000 . 2 . . . . A 5 LEU HB3 . 34755 1 51 . 1 . 1 5 5 LEU HG H 1 1.5500 0.0000 . 1 . . . . A 5 LEU HG . 34755 1 52 . 1 . 1 5 5 LEU HD11 H 1 0.8900 0.0000 . 2 . . . . A 5 LEU HD11 . 34755 1 53 . 1 . 1 5 5 LEU HD12 H 1 0.8900 0.0000 . 2 . . . . A 5 LEU HD12 . 34755 1 54 . 1 . 1 5 5 LEU HD13 H 1 0.8900 0.0000 . 2 . . . . A 5 LEU HD13 . 34755 1 55 . 1 . 1 5 5 LEU HD21 H 1 0.8400 0.0000 . 2 . . . . A 5 LEU HD21 . 34755 1 56 . 1 . 1 5 5 LEU HD22 H 1 0.8400 0.0000 . 2 . . . . A 5 LEU HD22 . 34755 1 57 . 1 . 1 5 5 LEU HD23 H 1 0.8400 0.0000 . 2 . . . . A 5 LEU HD23 . 34755 1 58 . 1 . 1 5 5 LEU CA C 13 57.6000 0.0000 . 1 . . . . A 5 LEU CA . 34755 1 59 . 1 . 1 5 5 LEU CB C 13 41.7000 0.0000 . 1 . . . . A 5 LEU CB . 34755 1 60 . 1 . 1 5 5 LEU CG C 13 26.8000 0.0000 . 1 . . . . A 5 LEU CG . 34755 1 61 . 1 . 1 5 5 LEU CD1 C 13 24.9000 0.0000 . 2 . . . . A 5 LEU CD1 . 34755 1 62 . 1 . 1 5 5 LEU CD2 C 13 24.2000 0.0000 . 2 . . . . A 5 LEU CD2 . 34755 1 63 . 1 . 1 6 6 LEU H H 1 8.3000 0.0000 . 1 . . . . A 6 LEU H . 34755 1 64 . 1 . 1 6 6 LEU HA H 1 3.9500 0.0000 . 1 . . . . A 6 LEU HA . 34755 1 65 . 1 . 1 6 6 LEU HB2 H 1 1.4900 0.0000 . 2 . . . . A 6 LEU HB2 . 34755 1 66 . 1 . 1 6 6 LEU HB3 H 1 1.7500 0.0000 . 2 . . . . A 6 LEU HB3 . 34755 1 67 . 1 . 1 6 6 LEU HG H 1 1.5500 0.0000 . 1 . . . . A 6 LEU HG . 34755 1 68 . 1 . 1 6 6 LEU HD11 H 1 0.8200 0.0000 . 2 . . . . A 6 LEU HD11 . 34755 1 69 . 1 . 1 6 6 LEU HD12 H 1 0.8200 0.0000 . 2 . . . . A 6 LEU HD12 . 34755 1 70 . 1 . 1 6 6 LEU HD13 H 1 0.8200 0.0000 . 2 . . . . A 6 LEU HD13 . 34755 1 71 . 1 . 1 6 6 LEU HD21 H 1 0.7900 0.0000 . 2 . . . . A 6 LEU HD21 . 34755 1 72 . 1 . 1 6 6 LEU HD22 H 1 0.7900 0.0000 . 2 . . . . A 6 LEU HD22 . 34755 1 73 . 1 . 1 6 6 LEU HD23 H 1 0.7900 0.0000 . 2 . . . . A 6 LEU HD23 . 34755 1 74 . 1 . 1 6 6 LEU CA C 13 57.4000 0.0000 . 1 . . . . A 6 LEU CA . 34755 1 75 . 1 . 1 6 6 LEU CB C 13 41.2000 0.0000 . 1 . . . . A 6 LEU CB . 34755 1 76 . 1 . 1 6 6 LEU CG C 13 26.8000 0.0000 . 1 . . . . A 6 LEU CG . 34755 1 77 . 1 . 1 6 6 LEU CD1 C 13 24.9000 0.0000 . 2 . . . . A 6 LEU CD1 . 34755 1 78 . 1 . 1 6 6 LEU CD2 C 13 24.5000 0.0000 . 2 . . . . A 6 LEU CD2 . 34755 1 79 . 1 . 1 7 7 HIS H H 1 8.2200 0.0000 . 1 . . . . A 7 HIS H . 34755 1 80 . 1 . 1 7 7 HIS HA H 1 4.3800 0.0000 . 1 . . . . A 7 HIS HA . 34755 1 81 . 1 . 1 7 7 HIS HB2 H 1 3.2600 0.0000 . 2 . . . . A 7 HIS HB2 . 34755 1 82 . 1 . 1 7 7 HIS HD2 H 1 7.2370 0.0000 . 1 . . . . A 7 HIS HD2 . 34755 1 83 . 1 . 1 7 7 HIS HE1 H 1 8.4900 0.0000 . 1 . . . . A 7 HIS HE1 . 34755 1 84 . 1 . 1 7 7 HIS CA C 13 58.3000 0.0000 . 1 . . . . A 7 HIS CA . 34755 1 85 . 1 . 1 7 7 HIS CB C 13 28.2000 0.0000 . 1 . . . . A 7 HIS CB . 34755 1 86 . 1 . 1 7 7 HIS CD2 C 13 120.1000 0.0000 . 1 . . . . A 7 HIS CD2 . 34755 1 87 . 1 . 1 7 7 HIS CE1 C 13 136.4000 0.0000 . 1 . . . . A 7 HIS CE1 . 34755 1 88 . 1 . 1 8 8 GLY H H 1 8.4000 0.0000 . 1 . . . . A 8 GLY H . 34755 1 89 . 1 . 1 8 8 GLY HA2 H 1 3.9500 0.0000 . 2 . . . . A 8 GLY HA2 . 34755 1 90 . 1 . 1 8 8 GLY HA3 H 1 3.8700 0.0000 . 2 . . . . A 8 GLY HA3 . 34755 1 91 . 1 . 1 8 8 GLY CA C 13 47.0000 0.0000 . 1 . . . . A 8 GLY CA . 34755 1 92 . 1 . 1 9 9 VAL H H 1 8.4800 0.0000 . 1 . . . . A 9 VAL H . 34755 1 93 . 1 . 1 9 9 VAL HA H 1 3.7100 0.0000 . 1 . . . . A 9 VAL HA . 34755 1 94 . 1 . 1 9 9 VAL HB H 1 2.1900 0.0000 . 1 . . . . A 9 VAL HB . 34755 1 95 . 1 . 1 9 9 VAL HG11 H 1 1.0200 0.0000 . 2 . . . . A 9 VAL HG11 . 34755 1 96 . 1 . 1 9 9 VAL HG12 H 1 1.0200 0.0000 . 2 . . . . A 9 VAL HG12 . 34755 1 97 . 1 . 1 9 9 VAL HG13 H 1 1.0200 0.0000 . 2 . . . . A 9 VAL HG13 . 34755 1 98 . 1 . 1 9 9 VAL HG21 H 1 0.9000 0.0000 . 2 . . . . A 9 VAL HG21 . 34755 1 99 . 1 . 1 9 9 VAL HG22 H 1 0.9000 0.0000 . 2 . . . . A 9 VAL HG22 . 34755 1 100 . 1 . 1 9 9 VAL HG23 H 1 0.9000 0.0000 . 2 . . . . A 9 VAL HG23 . 34755 1 101 . 1 . 1 9 9 VAL CA C 13 66.2000 0.0000 . 1 . . . . A 9 VAL CA . 34755 1 102 . 1 . 1 9 9 VAL CB C 13 31.4000 0.0000 . 1 . . . . A 9 VAL CB . 34755 1 103 . 1 . 1 9 9 VAL CG1 C 13 22.9000 0.0000 . 2 . . . . A 9 VAL CG1 . 34755 1 104 . 1 . 1 9 9 VAL CG2 C 13 21.7000 0.0000 . 2 . . . . A 9 VAL CG2 . 34755 1 105 . 1 . 1 10 10 GLY H H 1 8.5300 0.0000 . 1 . . . . A 10 GLY H . 34755 1 106 . 1 . 1 10 10 GLY HA2 H 1 3.5900 0.0000 . 2 . . . . A 10 GLY HA2 . 34755 1 107 . 1 . 1 10 10 GLY HA3 H 1 3.9400 0.0000 . 2 . . . . A 10 GLY HA3 . 34755 1 108 . 1 . 1 10 10 GLY CA C 13 47.3000 0.0000 . 1 . . . . A 10 GLY CA . 34755 1 109 . 1 . 1 11 11 HIS H H 1 8.3000 0.0000 . 1 . . . . A 11 HIS H . 34755 1 110 . 1 . 1 11 11 HIS HA H 1 4.3800 0.0000 . 1 . . . . A 11 HIS HA . 34755 1 111 . 1 . 1 11 11 HIS HB2 H 1 3.2200 0.0000 . 2 . . . . A 11 HIS HB2 . 34755 1 112 . 1 . 1 11 11 HIS HB3 H 1 3.2900 0.0000 . 2 . . . . A 11 HIS HB3 . 34755 1 113 . 1 . 1 11 11 HIS HD2 H 1 7.2570 0.0000 . 1 . . . . A 11 HIS HD2 . 34755 1 114 . 1 . 1 11 11 HIS HE1 H 1 8.4600 0.0000 . 1 . . . . A 11 HIS HE1 . 34755 1 115 . 1 . 1 11 11 HIS CA C 13 58.7000 0.0000 . 1 . . . . A 11 HIS CA . 34755 1 116 . 1 . 1 11 11 HIS CB C 13 28.2000 0.0000 . 1 . . . . A 11 HIS CB . 34755 1 117 . 1 . 1 11 11 HIS CD2 C 13 120.0000 0.0000 . 1 . . . . A 11 HIS CD2 . 34755 1 118 . 1 . 1 11 11 HIS CE1 C 13 136.7000 0.0000 . 1 . . . . A 11 HIS CE1 . 34755 1 119 . 1 . 1 12 12 ALA H H 1 8.0400 0.0000 . 1 . . . . A 12 ALA H . 34755 1 120 . 1 . 1 12 12 ALA HA H 1 4.1600 0.0000 . 1 . . . . A 12 ALA HA . 34755 1 121 . 1 . 1 12 12 ALA HB1 H 1 1.5200 0.0000 . 1 . . . . A 12 ALA HB1 . 34755 1 122 . 1 . 1 12 12 ALA HB2 H 1 1.5200 0.0000 . 1 . . . . A 12 ALA HB2 . 34755 1 123 . 1 . 1 12 12 ALA HB3 H 1 1.5200 0.0000 . 1 . . . . A 12 ALA HB3 . 34755 1 124 . 1 . 1 12 12 ALA CA C 13 54.7000 0.0000 . 1 . . . . A 12 ALA CA . 34755 1 125 . 1 . 1 12 12 ALA CB C 13 18.3000 0.0000 . 1 . . . . A 12 ALA CB . 34755 1 126 . 1 . 1 13 13 ILE H H 1 8.3200 0.0000 . 1 . . . . A 13 ILE H . 34755 1 127 . 1 . 1 13 13 ILE HA H 1 3.7000 0.0000 . 1 . . . . A 13 ILE HA . 34755 1 128 . 1 . 1 13 13 ILE HB H 1 1.9400 0.0000 . 1 . . . . A 13 ILE HB . 34755 1 129 . 1 . 1 13 13 ILE HG12 H 1 1.1000 0.0000 . 2 . . . . A 13 ILE HG12 . 34755 1 130 . 1 . 1 13 13 ILE HG13 H 1 1.4600 0.0000 . 2 . . . . A 13 ILE HG13 . 34755 1 131 . 1 . 1 13 13 ILE HG21 H 1 0.8500 0.0000 . 1 . . . . A 13 ILE HG21 . 34755 1 132 . 1 . 1 13 13 ILE HG22 H 1 0.8500 0.0000 . 1 . . . . A 13 ILE HG22 . 34755 1 133 . 1 . 1 13 13 ILE HG23 H 1 0.8500 0.0000 . 1 . . . . A 13 ILE HG23 . 34755 1 134 . 1 . 1 13 13 ILE HD11 H 1 0.7600 0.0000 . 1 . . . . A 13 ILE HD11 . 34755 1 135 . 1 . 1 13 13 ILE HD12 H 1 0.7600 0.0000 . 1 . . . . A 13 ILE HD12 . 34755 1 136 . 1 . 1 13 13 ILE HD13 H 1 0.7600 0.0000 . 1 . . . . A 13 ILE HD13 . 34755 1 137 . 1 . 1 13 13 ILE CA C 13 64.5000 0.0000 . 1 . . . . A 13 ILE CA . 34755 1 138 . 1 . 1 13 13 ILE CB C 13 37.5000 0.0000 . 1 . . . . A 13 ILE CB . 34755 1 139 . 1 . 1 13 13 ILE CG1 C 13 27.6000 0.0000 . 1 . . . . A 13 ILE CG1 . 34755 1 140 . 1 . 1 13 13 ILE CG2 C 13 17.6000 0.0000 . 1 . . . . A 13 ILE CG2 . 34755 1 141 . 1 . 1 13 13 ILE CD1 C 13 13.5000 0.0000 . 1 . . . . A 13 ILE CD1 . 34755 1 142 . 1 . 1 14 14 HIS H H 1 8.0290 0.0000 . 1 . . . . A 14 HIS H . 34755 1 143 . 1 . 1 14 14 HIS HA H 1 4.1700 0.0000 . 1 . . . . A 14 HIS HA . 34755 1 144 . 1 . 1 14 14 HIS HB2 H 1 3.3000 0.0000 . 2 . . . . A 14 HIS HB2 . 34755 1 145 . 1 . 1 14 14 HIS HD2 H 1 7.1900 0.0000 . 1 . . . . A 14 HIS HD2 . 34755 1 146 . 1 . 1 14 14 HIS HE1 H 1 8.3000 0.0000 . 1 . . . . A 14 HIS HE1 . 34755 1 147 . 1 . 1 14 14 HIS CA C 13 59.6000 0.0000 . 1 . . . . A 14 HIS CA . 34755 1 148 . 1 . 1 14 14 HIS CB C 13 28.4000 0.0000 . 1 . . . . A 14 HIS CB . 34755 1 149 . 1 . 1 14 14 HIS CD2 C 13 120.0000 0.0000 . 1 . . . . A 14 HIS CD2 . 34755 1 150 . 1 . 1 14 14 HIS CE1 C 13 136.6000 0.0000 . 1 . . . . A 14 HIS CE1 . 34755 1 151 . 1 . 1 15 15 GLY H H 1 8.0200 0.0000 . 1 . . . . A 15 GLY H . 34755 1 152 . 1 . 1 15 15 GLY HA2 H 1 3.8200 0.0000 . 2 . . . . A 15 GLY HA2 . 34755 1 153 . 1 . 1 15 15 GLY CA C 13 46.5000 0.0000 . 1 . . . . A 15 GLY CA . 34755 1 154 . 1 . 1 16 16 LEU H H 1 7.7100 0.0000 . 1 . . . . A 16 LEU H . 34755 1 155 . 1 . 1 16 16 LEU HA H 1 4.1700 0.0000 . 1 . . . . A 16 LEU HA . 34755 1 156 . 1 . 1 16 16 LEU HB2 H 1 1.5640 0.0000 . 2 . . . . A 16 LEU HB2 . 34755 1 157 . 1 . 1 16 16 LEU HB3 H 1 1.8300 0.0000 . 2 . . . . A 16 LEU HB3 . 34755 1 158 . 1 . 1 16 16 LEU HG H 1 1.7470 0.0000 . 1 . . . . A 16 LEU HG . 34755 1 159 . 1 . 1 16 16 LEU HD11 H 1 0.8500 0.0000 . 2 . . . . A 16 LEU HD11 . 34755 1 160 . 1 . 1 16 16 LEU HD12 H 1 0.8500 0.0000 . 2 . . . . A 16 LEU HD12 . 34755 1 161 . 1 . 1 16 16 LEU HD13 H 1 0.8500 0.0000 . 2 . . . . A 16 LEU HD13 . 34755 1 162 . 1 . 1 16 16 LEU HD21 H 1 0.8400 0.0000 . 2 . . . . A 16 LEU HD21 . 34755 1 163 . 1 . 1 16 16 LEU HD22 H 1 0.8400 0.0000 . 2 . . . . A 16 LEU HD22 . 34755 1 164 . 1 . 1 16 16 LEU HD23 H 1 0.8400 0.0000 . 2 . . . . A 16 LEU HD23 . 34755 1 165 . 1 . 1 16 16 LEU CA C 13 56.8000 0.0000 . 1 . . . . A 16 LEU CA . 34755 1 166 . 1 . 1 16 16 LEU CB C 13 42.6000 0.0000 . 1 . . . . A 16 LEU CB . 34755 1 167 . 1 . 1 16 16 LEU CG C 13 26.7000 0.0000 . 1 . . . . A 16 LEU CG . 34755 1 168 . 1 . 1 16 16 LEU CD1 C 13 25.2000 0.0000 . 2 . . . . A 16 LEU CD1 . 34755 1 169 . 1 . 1 16 16 LEU CD2 C 13 23.9000 0.0000 . 2 . . . . A 16 LEU CD2 . 34755 1 170 . 1 . 1 17 17 ILE H H 1 7.6000 0.0000 . 1 . . . . A 17 ILE H . 34755 1 171 . 1 . 1 17 17 ILE HA H 1 3.8400 0.0000 . 1 . . . . A 17 ILE HA . 34755 1 172 . 1 . 1 17 17 ILE HB H 1 1.7230 0.0000 . 1 . . . . A 17 ILE HB . 34755 1 173 . 1 . 1 17 17 ILE HG12 H 1 1.4400 0.0000 . 2 . . . . A 17 ILE HG12 . 34755 1 174 . 1 . 1 17 17 ILE HG13 H 1 1.0900 0.0000 . 2 . . . . A 17 ILE HG13 . 34755 1 175 . 1 . 1 17 17 ILE HG21 H 1 0.5900 0.0000 . 1 . . . . A 17 ILE HG21 . 34755 1 176 . 1 . 1 17 17 ILE HG22 H 1 0.5900 0.0000 . 1 . . . . A 17 ILE HG22 . 34755 1 177 . 1 . 1 17 17 ILE HG23 H 1 0.5900 0.0000 . 1 . . . . A 17 ILE HG23 . 34755 1 178 . 1 . 1 17 17 ILE HD11 H 1 0.7300 0.0000 . 1 . . . . A 17 ILE HD11 . 34755 1 179 . 1 . 1 17 17 ILE HD12 H 1 0.7300 0.0000 . 1 . . . . A 17 ILE HD12 . 34755 1 180 . 1 . 1 17 17 ILE HD13 H 1 0.7300 0.0000 . 1 . . . . A 17 ILE HD13 . 34755 1 181 . 1 . 1 17 17 ILE CA C 13 62.6000 0.0000 . 1 . . . . A 17 ILE CA . 34755 1 182 . 1 . 1 17 17 ILE CB C 13 38.4000 0.0000 . 1 . . . . A 17 ILE CB . 34755 1 183 . 1 . 1 17 17 ILE CG1 C 13 27.6000 0.0000 . 1 . . . . A 17 ILE CG1 . 34755 1 184 . 1 . 1 17 17 ILE CG2 C 13 17.2000 0.0000 . 1 . . . . A 17 ILE CG2 . 34755 1 185 . 1 . 1 17 17 ILE CD1 C 13 13.4000 0.0000 . 1 . . . . A 17 ILE CD1 . 34755 1 186 . 1 . 1 18 18 HIS H H 1 8.0000 0.0000 . 1 . . . . A 18 HIS H . 34755 1 187 . 1 . 1 18 18 HIS HA H 1 4.5600 0.0000 . 1 . . . . A 18 HIS HA . 34755 1 188 . 1 . 1 18 18 HIS HB2 H 1 3.2000 0.0000 . 2 . . . . A 18 HIS HB2 . 34755 1 189 . 1 . 1 18 18 HIS HB3 H 1 2.8600 0.0000 . 2 . . . . A 18 HIS HB3 . 34755 1 190 . 1 . 1 18 18 HIS HD2 H 1 6.9700 0.0000 . 1 . . . . A 18 HIS HD2 . 34755 1 191 . 1 . 1 18 18 HIS HE1 H 1 8.5200 0.0000 . 1 . . . . A 18 HIS HE1 . 34755 1 192 . 1 . 1 18 18 HIS CA C 13 55.8000 0.0000 . 1 . . . . A 18 HIS CA . 34755 1 193 . 1 . 1 18 18 HIS CB C 13 28.9000 0.0000 . 1 . . . . A 18 HIS CB . 34755 1 194 . 1 . 1 18 18 HIS CD2 C 13 120.0000 0.0000 . 1 . . . . A 18 HIS CD2 . 34755 1 195 . 1 . 1 18 18 HIS CE1 C 13 136.4000 0.0000 . 1 . . . . A 18 HIS CE1 . 34755 1 196 . 1 . 1 19 19 GLY H H 1 8.0200 0.0000 . 1 . . . . A 19 GLY H . 34755 1 197 . 1 . 1 19 19 GLY HA2 H 1 3.9400 0.0000 . 2 . . . . A 19 GLY HA2 . 34755 1 198 . 1 . 1 19 19 GLY HA3 H 1 3.9400 0.0000 . 2 . . . . A 19 GLY HA3 . 34755 1 199 . 1 . 1 19 19 GLY CA C 13 45.2000 0.0000 . 1 . . . . A 19 GLY CA . 34755 1 200 . 1 . 1 20 20 LYS H H 1 8.2600 0.0000 . 1 . . . . A 20 LYS H . 34755 1 201 . 1 . 1 20 20 LYS HA H 1 4.2600 0.0000 . 1 . . . . A 20 LYS HA . 34755 1 202 . 1 . 1 20 20 LYS HB2 H 1 1.7000 0.0000 . 2 . . . . A 20 LYS HB2 . 34755 1 203 . 1 . 1 20 20 LYS HB3 H 1 1.7900 0.0000 . 2 . . . . A 20 LYS HB3 . 34755 1 204 . 1 . 1 20 20 LYS HG2 H 1 1.3800 0.0000 . 2 . . . . A 20 LYS HG2 . 34755 1 205 . 1 . 1 20 20 LYS HG3 H 1 1.3800 0.0000 . 2 . . . . A 20 LYS HG3 . 34755 1 206 . 1 . 1 20 20 LYS HD2 H 1 1.6300 0.0000 . 2 . . . . A 20 LYS HD2 . 34755 1 207 . 1 . 1 20 20 LYS HD3 H 1 1.6300 0.0000 . 2 . . . . A 20 LYS HD3 . 34755 1 208 . 1 . 1 20 20 LYS HE2 H 1 2.9200 0.0000 . 2 . . . . A 20 LYS HE2 . 34755 1 209 . 1 . 1 20 20 LYS HE3 H 1 2.9200 0.0000 . 2 . . . . A 20 LYS HE3 . 34755 1 210 . 1 . 1 20 20 LYS CA C 13 56.2000 0.0000 . 1 . . . . A 20 LYS CA . 34755 1 211 . 1 . 1 20 20 LYS CB C 13 32.9000 0.0000 . 1 . . . . A 20 LYS CB . 34755 1 212 . 1 . 1 20 20 LYS CG C 13 24.5000 0.0000 . 1 . . . . A 20 LYS CG . 34755 1 213 . 1 . 1 20 20 LYS CD C 13 28.9000 0.0000 . 1 . . . . A 20 LYS CD . 34755 1 214 . 1 . 1 20 20 LYS CE C 13 41.9000 0.0000 . 1 . . . . A 20 LYS CE . 34755 1 215 . 1 . 1 21 21 GLN H H 1 8.3800 0.0000 . 1 . . . . A 21 GLN H . 34755 1 216 . 1 . 1 21 21 GLN HA H 1 4.2700 0.0000 . 1 . . . . A 21 GLN HA . 34755 1 217 . 1 . 1 21 21 GLN HB2 H 1 1.9300 0.0000 . 2 . . . . A 21 GLN HB2 . 34755 1 218 . 1 . 1 21 21 GLN HB3 H 1 2.0300 0.0000 . 2 . . . . A 21 GLN HB3 . 34755 1 219 . 1 . 1 21 21 GLN HG2 H 1 2.3000 0.0000 . 2 . . . . A 21 GLN HG2 . 34755 1 220 . 1 . 1 21 21 GLN HE21 H 1 7.4600 0.0000 . 2 . . . . A 21 GLN HE21 . 34755 1 221 . 1 . 1 21 21 GLN HE22 H 1 6.7900 0.0000 . 2 . . . . A 21 GLN HE22 . 34755 1 222 . 1 . 1 21 21 GLN CA C 13 55.8000 0.0000 . 1 . . . . A 21 GLN CA . 34755 1 223 . 1 . 1 21 21 GLN CB C 13 29.4000 0.0000 . 1 . . . . A 21 GLN CB . 34755 1 224 . 1 . 1 21 21 GLN CG C 13 33.7000 0.0000 . 1 . . . . A 21 GLN CG . 34755 1 225 . 1 . 1 22 22 ASN H H 1 8.4500 0.0000 . 1 . . . . A 22 ASN H . 34755 1 226 . 1 . 1 22 22 ASN HA H 1 4.6600 0.0000 . 1 . . . . A 22 ASN HA . 34755 1 227 . 1 . 1 22 22 ASN HB2 H 1 2.6900 0.0000 . 2 . . . . A 22 ASN HB2 . 34755 1 228 . 1 . 1 22 22 ASN HB3 H 1 2.7700 0.0000 . 2 . . . . A 22 ASN HB3 . 34755 1 229 . 1 . 1 22 22 ASN HD21 H 1 6.8600 0.0000 . 2 . . . . A 22 ASN HD21 . 34755 1 230 . 1 . 1 22 22 ASN HD22 H 1 7.5500 0.0000 . 2 . . . . A 22 ASN HD22 . 34755 1 231 . 1 . 1 22 22 ASN CA C 13 53.2000 0.0000 . 1 . . . . A 22 ASN CA . 34755 1 232 . 1 . 1 22 22 ASN CB C 13 38.7000 0.0000 . 1 . . . . A 22 ASN CB . 34755 1 233 . 1 . 1 23 23 VAL H H 1 8.0800 0.0000 . 1 . . . . A 23 VAL H . 34755 1 234 . 1 . 1 23 23 VAL HA H 1 4.0700 0.0000 . 1 . . . . A 23 VAL HA . 34755 1 235 . 1 . 1 23 23 VAL HB H 1 2.0600 0.0000 . 1 . . . . A 23 VAL HB . 34755 1 236 . 1 . 1 23 23 VAL HG11 H 1 0.8600 0.0000 . 2 . . . . A 23 VAL HG11 . 34755 1 237 . 1 . 1 23 23 VAL HG12 H 1 0.8600 0.0000 . 2 . . . . A 23 VAL HG12 . 34755 1 238 . 1 . 1 23 23 VAL HG13 H 1 0.8600 0.0000 . 2 . . . . A 23 VAL HG13 . 34755 1 239 . 1 . 1 23 23 VAL HG21 H 1 0.8600 0.0000 . 2 . . . . A 23 VAL HG21 . 34755 1 240 . 1 . 1 23 23 VAL HG22 H 1 0.8600 0.0000 . 2 . . . . A 23 VAL HG22 . 34755 1 241 . 1 . 1 23 23 VAL HG23 H 1 0.8600 0.0000 . 2 . . . . A 23 VAL HG23 . 34755 1 242 . 1 . 1 23 23 VAL CA C 13 62.2000 0.0000 . 1 . . . . A 23 VAL CA . 34755 1 243 . 1 . 1 23 23 VAL CB C 13 32.6000 0.0000 . 1 . . . . A 23 VAL CB . 34755 1 244 . 1 . 1 23 23 VAL CG1 C 13 20.2000 0.0000 . 2 . . . . A 23 VAL CG1 . 34755 1 245 . 1 . 1 23 23 VAL CG2 C 13 21.0000 0.0000 . 2 . . . . A 23 VAL CG2 . 34755 1 246 . 1 . 1 24 24 GLU H H 1 8.3600 0.0000 . 1 . . . . A 24 GLU H . 34755 1 247 . 1 . 1 24 24 GLU HA H 1 4.1900 0.0000 . 1 . . . . A 24 GLU HA . 34755 1 248 . 1 . 1 24 24 GLU HB2 H 1 1.9900 0.0000 . 2 . . . . A 24 GLU HB2 . 34755 1 249 . 1 . 1 24 24 GLU HB3 H 1 1.8900 0.0000 . 2 . . . . A 24 GLU HB3 . 34755 1 250 . 1 . 1 24 24 GLU HG2 H 1 2.2300 0.0000 . 2 . . . . A 24 GLU HG2 . 34755 1 251 . 1 . 1 24 24 GLU HG3 H 1 2.2300 0.0000 . 2 . . . . A 24 GLU HG3 . 34755 1 252 . 1 . 1 24 24 GLU CA C 13 56.2000 0.0000 . 1 . . . . A 24 GLU CA . 34755 1 253 . 1 . 1 24 24 GLU CB C 13 30.0000 0.0000 . 1 . . . . A 24 GLU CB . 34755 1 254 . 1 . 1 24 24 GLU CG C 13 35.6000 0.0000 . 1 . . . . A 24 GLU CG . 34755 1 stop_ save_