################################### # 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 34804 _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-1H NOESY' . . . 34804 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 LYS H H 1 8.011 . . . . . . . A 1731 LYS H1 . 34804 1 2 . 1 . 1 1 1 LYS HA H 1 4.145 . . . . . . . A 1731 LYS HA . 34804 1 3 . 1 . 1 1 1 LYS HB2 H 1 1.847 . . . . . . . A 1731 LYS HB2 . 34804 1 4 . 1 . 1 1 1 LYS HG2 H 1 1.469 . . . . . . . A 1731 LYS HG2 . 34804 1 5 . 1 . 1 1 1 LYS HG3 H 1 1.560 . . . . . . . A 1731 LYS HG3 . 34804 1 6 . 1 . 1 1 1 LYS HD2 H 1 1.740 . . . . . . . A 1731 LYS HD2 . 34804 1 7 . 1 . 1 1 1 LYS HE2 H 1 3.000 . . . . . . . A 1731 LYS HE2 . 34804 1 8 . 1 . 1 1 1 LYS CA C 13 57.932 . . . . . . . A 1731 LYS CA . 34804 1 9 . 1 . 1 1 1 LYS CB C 13 32.127 . . . . . . . A 1731 LYS CB . 34804 1 10 . 1 . 1 1 1 LYS CG C 13 24.501 . . . . . . . A 1731 LYS CG . 34804 1 11 . 1 . 1 1 1 LYS CD C 13 28.562 . . . . . . . A 1731 LYS CD . 34804 1 12 . 1 . 1 1 1 LYS CE C 13 41.528 . . . . . . . A 1731 LYS CE . 34804 1 13 . 1 . 1 2 2 LYS H H 1 8.209 . . . . . . . A 1732 LYS H . 34804 1 14 . 1 . 1 2 2 LYS HA H 1 4.161 . . . . . . . A 1732 LYS HA . 34804 1 15 . 1 . 1 2 2 LYS HB2 H 1 1.876 . . . . . . . A 1732 LYS HB2 . 34804 1 16 . 1 . 1 2 2 LYS HG2 H 1 1.467 . . . . . . . A 1732 LYS HG2 . 34804 1 17 . 1 . 1 2 2 LYS HG3 H 1 1.571 . . . . . . . A 1732 LYS HG3 . 34804 1 18 . 1 . 1 2 2 LYS HD2 H 1 1.739 . . . . . . . A 1732 LYS HD2 . 34804 1 19 . 1 . 1 2 2 LYS HE2 H 1 3.000 . . . . . . . A 1732 LYS HE2 . 34804 1 20 . 1 . 1 2 2 LYS CA C 13 58.210 . . . . . . . A 1732 LYS CA . 34804 1 21 . 1 . 1 2 2 LYS CB C 13 31.805 . . . . . . . A 1732 LYS CB . 34804 1 22 . 1 . 1 2 2 LYS CG C 13 24.501 . . . . . . . A 1732 LYS CG . 34804 1 23 . 1 . 1 2 2 LYS CD C 13 28.562 . . . . . . . A 1732 LYS CD . 34804 1 24 . 1 . 1 2 2 LYS CE C 13 41.528 . . . . . . . A 1732 LYS CE . 34804 1 25 . 1 . 1 3 3 LYS H H 1 7.784 . . . . . . . A 1733 LYS H . 34804 1 26 . 1 . 1 3 3 LYS HA H 1 4.214 . . . . . . . A 1733 LYS HA . 34804 1 27 . 1 . 1 3 3 LYS HB2 H 1 1.905 . . . . . . . A 1733 LYS HB2 . 34804 1 28 . 1 . 1 3 3 LYS HG2 H 1 1.481 . . . . . . . A 1733 LYS HG2 . 34804 1 29 . 1 . 1 3 3 LYS HG3 H 1 1.565 . . . . . . . A 1733 LYS HG3 . 34804 1 30 . 1 . 1 3 3 LYS HD2 H 1 1.740 . . . . . . . A 1733 LYS HD2 . 34804 1 31 . 1 . 1 3 3 LYS HE2 H 1 3.000 . . . . . . . A 1733 LYS HE2 . 34804 1 32 . 1 . 1 3 3 LYS CA C 13 58.034 . . . . . . . A 1733 LYS CA . 34804 1 33 . 1 . 1 3 3 LYS CB C 13 31.829 . . . . . . . A 1733 LYS CB . 34804 1 34 . 1 . 1 3 3 LYS CG C 13 24.501 . . . . . . . A 1733 LYS CG . 34804 1 35 . 1 . 1 3 3 LYS CD C 13 28.562 . . . . . . . A 1733 LYS CD . 34804 1 36 . 1 . 1 3 3 LYS CE C 13 41.528 . . . . . . . A 1733 LYS CE . 34804 1 37 . 1 . 1 4 4 LEU H H 1 7.738 . . . . . . . A 1734 LEU H . 34804 1 38 . 1 . 1 4 4 LEU HA H 1 4.229 . . . . . . . A 1734 LEU HA . 34804 1 39 . 1 . 1 4 4 LEU HB2 H 1 1.624 . . . . . . . A 1734 LEU HB2 . 34804 1 40 . 1 . 1 4 4 LEU HB3 H 1 1.740 . . . . . . . A 1734 LEU HB3 . 34804 1 41 . 1 . 1 4 4 LEU HD11 H 1 0.953 . . . . . . . A 1734 LEU HD11 . 34804 1 42 . 1 . 1 4 4 LEU HD12 H 1 0.953 . . . . . . . A 1734 LEU HD12 . 34804 1 43 . 1 . 1 4 4 LEU HD13 H 1 0.953 . . . . . . . A 1734 LEU HD13 . 34804 1 44 . 1 . 1 4 4 LEU HD21 H 1 0.913 . . . . . . . A 1734 LEU HD21 . 34804 1 45 . 1 . 1 4 4 LEU HD22 H 1 0.913 . . . . . . . A 1734 LEU HD22 . 34804 1 46 . 1 . 1 4 4 LEU HD23 H 1 0.913 . . . . . . . A 1734 LEU HD23 . 34804 1 47 . 1 . 1 4 4 LEU CA C 13 58.034 . . . . . . . A 1734 LEU CA . 34804 1 48 . 1 . 1 4 4 LEU CB C 13 41.248 . . . . . . . A 1734 LEU CB . 34804 1 49 . 1 . 1 4 4 LEU CD1 C 13 23.390 . . . . . . . A 1734 LEU CD1 . 34804 1 50 . 1 . 1 4 4 LEU CD2 C 13 22.429 . . . . . . . A 1734 LEU CD2 . 34804 1 51 . 1 . 1 5 5 HIS H H 1 7.992 . . . . . . . A 1735 HIS H . 34804 1 52 . 1 . 1 5 5 HIS HA H 1 4.372 . . . . . . . A 1735 HIS HA . 34804 1 53 . 1 . 1 5 5 HIS HB2 H 1 3.201 . . . . . . . A 1735 HIS HB2 . 34804 1 54 . 1 . 1 5 5 HIS HD2 H 1 6.807 . . . . . . . A 1735 HIS HD2 . 34804 1 55 . 1 . 1 5 5 HIS CA C 13 58.678 . . . . . . . A 1735 HIS CA . 34804 1 56 . 1 . 1 5 5 HIS CB C 13 29.111 . . . . . . . A 1735 HIS CB . 34804 1 57 . 1 . 1 6 6 PHE H H 1 7.865 . . . . . . . A 1736 PHE H . 34804 1 58 . 1 . 1 6 6 PHE HA H 1 4.257 . . . . . . . A 1736 PHE HA . 34804 1 59 . 1 . 1 6 6 PHE HB2 H 1 3.219 . . . . . . . A 1736 PHE HB2 . 34804 1 60 . 1 . 1 6 6 PHE HD1 H 1 7.237 . . . . . . . A 1736 PHE HD1 . 34804 1 61 . 1 . 1 6 6 PHE HD2 H 1 7.237 . . . . . . . A 1736 PHE HD2 . 34804 1 62 . 1 . 1 6 6 PHE HE1 H 1 7.305 . . . . . . . A 1736 PHE HE1 . 34804 1 63 . 1 . 1 6 6 PHE HE2 H 1 7.305 . . . . . . . A 1736 PHE HE2 . 34804 1 64 . 1 . 1 6 6 PHE CA C 13 60.826 . . . . . . . A 1736 PHE CA . 34804 1 65 . 1 . 1 6 6 PHE CB C 13 38.111 . . . . . . . A 1736 PHE CB . 34804 1 66 . 1 . 1 7 7 MET H H 1 8.170 . . . . . . . A 1737 MET H . 34804 1 67 . 1 . 1 7 7 MET HA H 1 4.096 . . . . . . . A 1737 MET HA . 34804 1 68 . 1 . 1 7 7 MET HB2 H 1 2.101 . . . . . . . A 1737 MET HB2 . 34804 1 69 . 1 . 1 7 7 MET HB3 H 1 2.184 . . . . . . . A 1737 MET HB3 . 34804 1 70 . 1 . 1 7 7 MET HG2 H 1 2.527 . . . . . . . A 1737 MET HG2 . 34804 1 71 . 1 . 1 7 7 MET HG3 H 1 2.662 . . . . . . . A 1737 MET HG3 . 34804 1 72 . 1 . 1 7 7 MET CA C 13 57.962 . . . . . . . A 1737 MET CA . 34804 1 73 . 1 . 1 7 7 MET CB C 13 31.589 . . . . . . . A 1737 MET CB . 34804 1 74 . 1 . 1 7 7 MET CG C 13 31.393 . . . . . . . A 1737 MET CG . 34804 1 75 . 1 . 1 8 8 TYR H H 1 7.943 . . . . . . . A 1738 TYR H . 34804 1 76 . 1 . 1 8 8 TYR HA H 1 4.260 . . . . . . . A 1738 TYR HA . 34804 1 77 . 1 . 1 8 8 TYR HB2 H 1 3.125 . . . . . . . A 1738 TYR HB2 . 34804 1 78 . 1 . 1 8 8 TYR HB3 H 1 3.157 . . . . . . . A 1738 TYR HB3 . 34804 1 79 . 1 . 1 8 8 TYR HD1 H 1 7.088 . . . . . . . A 1738 TYR HD1 . 34804 1 80 . 1 . 1 8 8 TYR HD2 H 1 7.088 . . . . . . . A 1738 TYR HD2 . 34804 1 81 . 1 . 1 8 8 TYR HE1 H 1 6.778 . . . . . . . A 1738 TYR HE1 . 34804 1 82 . 1 . 1 8 8 TYR HE2 H 1 6.778 . . . . . . . A 1738 TYR HE2 . 34804 1 83 . 1 . 1 8 8 TYR CA C 13 60.351 . . . . . . . A 1738 TYR CA . 34804 1 84 . 1 . 1 8 8 TYR CB C 13 37.434 . . . . . . . A 1738 TYR CB . 34804 1 85 . 1 . 1 9 9 VAL H H 1 7.846 . . . . . . . A 1739 VAL H . 34804 1 86 . 1 . 1 9 9 VAL HA H 1 3.627 . . . . . . . A 1739 VAL HA . 34804 1 87 . 1 . 1 9 9 VAL HB H 1 2.073 . . . . . . . A 1739 VAL HB . 34804 1 88 . 1 . 1 9 9 VAL HG11 H 1 0.960 . . . . . . . A 1739 VAL HG11 . 34804 1 89 . 1 . 1 9 9 VAL HG12 H 1 0.960 . . . . . . . A 1739 VAL HG12 . 34804 1 90 . 1 . 1 9 9 VAL HG13 H 1 0.960 . . . . . . . A 1739 VAL HG13 . 34804 1 91 . 1 . 1 9 9 VAL HG21 H 1 0.930 . . . . . . . A 1739 VAL HG21 . 34804 1 92 . 1 . 1 9 9 VAL HG22 H 1 0.930 . . . . . . . A 1739 VAL HG22 . 34804 1 93 . 1 . 1 9 9 VAL HG23 H 1 0.930 . . . . . . . A 1739 VAL HG23 . 34804 1 94 . 1 . 1 9 9 VAL CA C 13 65.445 . . . . . . . A 1739 VAL CA . 34804 1 95 . 1 . 1 9 9 VAL CB C 13 31.110 . . . . . . . A 1739 VAL CB . 34804 1 96 . 1 . 1 9 9 VAL CG1 C 13 20.997 . . . . . . . A 1739 VAL CG1 . 34804 1 97 . 1 . 1 9 9 VAL CG2 C 13 19.902 . . . . . . . A 1739 VAL CG2 . 34804 1 98 . 1 . 1 10 10 ALA H H 1 8.072 . . . . . . . A 1740 ALA H . 34804 1 99 . 1 . 1 10 10 ALA HA H 1 3.994 . . . . . . . A 1740 ALA HA . 34804 1 100 . 1 . 1 10 10 ALA HB1 H 1 1.316 . . . . . . . A 1740 ALA HB1 . 34804 1 101 . 1 . 1 10 10 ALA HB2 H 1 1.316 . . . . . . . A 1740 ALA HB2 . 34804 1 102 . 1 . 1 10 10 ALA HB3 H 1 1.316 . . . . . . . A 1740 ALA HB3 . 34804 1 103 . 1 . 1 10 10 ALA CA C 13 54.277 . . . . . . . A 1740 ALA CA . 34804 1 104 . 1 . 1 10 10 ALA CB C 13 16.866 . . . . . . . A 1740 ALA CB . 34804 1 105 . 1 . 1 11 11 ALA H H 1 7.879 . . . . . . . A 1741 ALA H . 34804 1 106 . 1 . 1 11 11 ALA HA H 1 4.155 . . . . . . . A 1741 ALA HA . 34804 1 107 . 1 . 1 11 11 ALA HB1 H 1 1.475 . . . . . . . A 1741 ALA HB1 . 34804 1 108 . 1 . 1 11 11 ALA HB2 H 1 1.475 . . . . . . . A 1741 ALA HB2 . 34804 1 109 . 1 . 1 11 11 ALA HB3 H 1 1.475 . . . . . . . A 1741 ALA HB3 . 34804 1 110 . 1 . 1 11 11 ALA CA C 13 54.277 . . . . . . . A 1741 ALA CA . 34804 1 111 . 1 . 1 11 11 ALA CB C 13 17.061 . . . . . . . A 1741 ALA CB . 34804 1 112 . 1 . 1 12 12 ALA H H 1 7.902 . . . . . . . A 1742 ALA H . 34804 1 113 . 1 . 1 12 12 ALA HA H 1 4.046 . . . . . . . A 1742 ALA HA . 34804 1 114 . 1 . 1 12 12 ALA HB1 H 1 1.422 . . . . . . . A 1742 ALA HB1 . 34804 1 115 . 1 . 1 12 12 ALA HB2 H 1 1.422 . . . . . . . A 1742 ALA HB2 . 34804 1 116 . 1 . 1 12 12 ALA HB3 H 1 1.422 . . . . . . . A 1742 ALA HB3 . 34804 1 117 . 1 . 1 12 12 ALA CA C 13 54.373 . . . . . . . A 1742 ALA CA . 34804 1 118 . 1 . 1 12 12 ALA CB C 13 16.792 . . . . . . . A 1742 ALA CB . 34804 1 119 . 1 . 1 13 13 ALA H H 1 8.142 . . . . . . . A 1743 ALA H . 34804 1 120 . 1 . 1 13 13 ALA HA H 1 4.073 . . . . . . . A 1743 ALA HA . 34804 1 121 . 1 . 1 13 13 ALA HB1 H 1 1.456 . . . . . . . A 1743 ALA HB1 . 34804 1 122 . 1 . 1 13 13 ALA HB2 H 1 1.456 . . . . . . . A 1743 ALA HB2 . 34804 1 123 . 1 . 1 13 13 ALA HB3 H 1 1.456 . . . . . . . A 1743 ALA HB3 . 34804 1 124 . 1 . 1 13 13 ALA CA C 13 54.467 . . . . . . . A 1743 ALA CA . 34804 1 125 . 1 . 1 13 13 ALA CB C 13 16.777 . . . . . . . A 1743 ALA CB . 34804 1 126 . 1 . 1 14 14 PHE H H 1 7.886 . . . . . . . A 1744 PHE H . 34804 1 127 . 1 . 1 14 14 PHE HA H 1 4.241 . . . . . . . A 1744 PHE HA . 34804 1 128 . 1 . 1 14 14 PHE HB2 H 1 3.306 . . . . . . . A 1744 PHE HB2 . 34804 1 129 . 1 . 1 14 14 PHE HB3 H 1 3.257 . . . . . . . A 1744 PHE HB3 . 34804 1 130 . 1 . 1 14 14 PHE HD1 H 1 7.219 . . . . . . . A 1744 PHE HD1 . 34804 1 131 . 1 . 1 14 14 PHE HD2 H 1 7.219 . . . . . . . A 1744 PHE HD2 . 34804 1 132 . 1 . 1 14 14 PHE CA C 13 60.821 . . . . . . . A 1744 PHE CA . 34804 1 133 . 1 . 1 14 14 PHE CB C 13 38.295 . . . . . . . A 1744 PHE CB . 34804 1 134 . 1 . 1 15 15 VAL H H 1 8.012 . . . . . . . A 1745 VAL H . 34804 1 135 . 1 . 1 15 15 VAL HA H 1 3.656 . . . . . . . A 1745 VAL HA . 34804 1 136 . 1 . 1 15 15 VAL HB H 1 2.260 . . . . . . . A 1745 VAL HB . 34804 1 137 . 1 . 1 15 15 VAL HG11 H 1 1.153 . . . . . . . A 1745 VAL HG11 . 34804 1 138 . 1 . 1 15 15 VAL HG12 H 1 1.153 . . . . . . . A 1745 VAL HG12 . 34804 1 139 . 1 . 1 15 15 VAL HG13 H 1 1.153 . . . . . . . A 1745 VAL HG13 . 34804 1 140 . 1 . 1 15 15 VAL HG21 H 1 1.033 . . . . . . . A 1745 VAL HG21 . 34804 1 141 . 1 . 1 15 15 VAL HG22 H 1 1.033 . . . . . . . A 1745 VAL HG22 . 34804 1 142 . 1 . 1 15 15 VAL HG23 H 1 1.033 . . . . . . . A 1745 VAL HG23 . 34804 1 143 . 1 . 1 15 15 VAL CA C 13 65.859 . . . . . . . A 1745 VAL CA . 34804 1 144 . 1 . 1 15 15 VAL CB C 13 31.185 . . . . . . . A 1745 VAL CB . 34804 1 145 . 1 . 1 15 15 VAL CG1 C 13 21.407 . . . . . . . A 1745 VAL CG1 . 34804 1 146 . 1 . 1 15 15 VAL CG2 C 13 20.922 . . . . . . . A 1745 VAL CG2 . 34804 1 147 . 1 . 1 16 16 LEU H H 1 8.014 . . . . . . . A 1746 LEU H . 34804 1 148 . 1 . 1 16 16 LEU HA H 1 4.223 . . . . . . . A 1746 LEU HA . 34804 1 149 . 1 . 1 16 16 LEU HB2 H 1 1.767 . . . . . . . A 1746 LEU HB2 . 34804 1 150 . 1 . 1 16 16 LEU HB3 H 1 1.810 . . . . . . . A 1746 LEU HB3 . 34804 1 151 . 1 . 1 16 16 LEU HD11 H 1 0.946 . . . . . . . A 1746 LEU HD11 . 34804 1 152 . 1 . 1 16 16 LEU HD12 H 1 0.946 . . . . . . . A 1746 LEU HD12 . 34804 1 153 . 1 . 1 16 16 LEU HD13 H 1 0.946 . . . . . . . A 1746 LEU HD13 . 34804 1 154 . 1 . 1 16 16 LEU HD21 H 1 0.922 . . . . . . . A 1746 LEU HD21 . 34804 1 155 . 1 . 1 16 16 LEU HD22 H 1 0.922 . . . . . . . A 1746 LEU HD22 . 34804 1 156 . 1 . 1 16 16 LEU HD23 H 1 0.922 . . . . . . . A 1746 LEU HD23 . 34804 1 157 . 1 . 1 16 16 LEU CA C 13 58.034 . . . . . . . A 1746 LEU CA . 34804 1 158 . 1 . 1 16 16 LEU CB C 13 41.139 . . . . . . . A 1746 LEU CB . 34804 1 159 . 1 . 1 16 16 LEU CD1 C 13 22.901 . . . . . . . A 1746 LEU CD1 . 34804 1 160 . 1 . 1 16 16 LEU CD2 C 13 22.871 . . . . . . . A 1746 LEU CD2 . 34804 1 161 . 1 . 1 17 17 LEU H H 1 8.241 . . . . . . . A 1747 LEU H . 34804 1 162 . 1 . 1 17 17 LEU HA H 1 4.037 . . . . . . . A 1747 LEU HA . 34804 1 163 . 1 . 1 17 17 LEU HB2 H 1 1.473 . . . . . . . A 1747 LEU HB2 . 34804 1 164 . 1 . 1 17 17 LEU HB3 H 1 1.816 . . . . . . . A 1747 LEU HB3 . 34804 1 165 . 1 . 1 17 17 LEU HD11 H 1 0.850 . . . . . . . A 1747 LEU HD11 . 34804 1 166 . 1 . 1 17 17 LEU HD12 H 1 0.850 . . . . . . . A 1747 LEU HD12 . 34804 1 167 . 1 . 1 17 17 LEU HD13 H 1 0.850 . . . . . . . A 1747 LEU HD13 . 34804 1 168 . 1 . 1 17 17 LEU HD21 H 1 0.879 . . . . . . . A 1747 LEU HD21 . 34804 1 169 . 1 . 1 17 17 LEU HD22 H 1 0.879 . . . . . . . A 1747 LEU HD22 . 34804 1 170 . 1 . 1 17 17 LEU HD23 H 1 0.879 . . . . . . . A 1747 LEU HD23 . 34804 1 171 . 1 . 1 17 17 LEU CA C 13 57.403 . . . . . . . A 1747 LEU CA . 34804 1 172 . 1 . 1 17 17 LEU CB C 13 40.985 . . . . . . . A 1747 LEU CB . 34804 1 173 . 1 . 1 17 17 LEU CD1 C 13 21.881 . . . . . . . A 1747 LEU CD1 . 34804 1 174 . 1 . 1 17 17 LEU CD2 C 13 23.312 . . . . . . . A 1747 LEU CD2 . 34804 1 175 . 1 . 1 18 18 PHE H H 1 8.252 . . . . . . . A 1748 PHE H . 34804 1 176 . 1 . 1 18 18 PHE HA H 1 4.171 . . . . . . . A 1748 PHE HA . 34804 1 177 . 1 . 1 18 18 PHE HB2 H 1 3.111 . . . . . . . A 1748 PHE HB2 . 34804 1 178 . 1 . 1 18 18 PHE HB3 H 1 2.878 . . . . . . . A 1748 PHE HB3 . 34804 1 179 . 1 . 1 18 18 PHE HD1 H 1 6.813 . . . . . . . A 1748 PHE HD1 . 34804 1 180 . 1 . 1 18 18 PHE HD2 H 1 6.813 . . . . . . . A 1748 PHE HD2 . 34804 1 181 . 1 . 1 18 18 PHE HE1 H 1 7.097 . . . . . . . A 1748 PHE HE1 . 34804 1 182 . 1 . 1 18 18 PHE HE2 H 1 7.097 . . . . . . . A 1748 PHE HE2 . 34804 1 183 . 1 . 1 18 18 PHE CA C 13 60.674 . . . . . . . A 1748 PHE CA . 34804 1 184 . 1 . 1 18 18 PHE CB C 13 38.127 . . . . . . . A 1748 PHE CB . 34804 1 185 . 1 . 1 19 19 PHE H H 1 8.399 . . . . . . . A 1749 PHE H . 34804 1 186 . 1 . 1 19 19 PHE HA H 1 4.272 . . . . . . . A 1749 PHE HA . 34804 1 187 . 1 . 1 19 19 PHE HB2 H 1 3.287 . . . . . . . A 1749 PHE HB2 . 34804 1 188 . 1 . 1 19 19 PHE HD1 H 1 7.379 . . . . . . . A 1749 PHE HD1 . 34804 1 189 . 1 . 1 19 19 PHE HD2 H 1 7.379 . . . . . . . A 1749 PHE HD2 . 34804 1 190 . 1 . 1 19 19 PHE HE1 H 1 7.344 . . . . . . . A 1749 PHE HE1 . 34804 1 191 . 1 . 1 19 19 PHE HE2 H 1 7.344 . . . . . . . A 1749 PHE HE2 . 34804 1 192 . 1 . 1 19 19 PHE CA C 13 61.173 . . . . . . . A 1749 PHE CA . 34804 1 193 . 1 . 1 19 19 PHE CB C 13 38.172 . . . . . . . A 1749 PHE CB . 34804 1 194 . 1 . 1 20 20 VAL H H 1 8.830 . . . . . . . A 1750 VAL H . 34804 1 195 . 1 . 1 20 20 VAL HA H 1 3.718 . . . . . . . A 1750 VAL HA . 34804 1 196 . 1 . 1 20 20 VAL HB H 1 2.254 . . . . . . . A 1750 VAL HB . 34804 1 197 . 1 . 1 20 20 VAL HG11 H 1 1.121 . . . . . . . A 1750 VAL HG11 . 34804 1 198 . 1 . 1 20 20 VAL HG12 H 1 1.121 . . . . . . . A 1750 VAL HG12 . 34804 1 199 . 1 . 1 20 20 VAL HG13 H 1 1.121 . . . . . . . A 1750 VAL HG13 . 34804 1 200 . 1 . 1 20 20 VAL HG21 H 1 0.938 . . . . . . . A 1750 VAL HG21 . 34804 1 201 . 1 . 1 20 20 VAL HG22 H 1 0.938 . . . . . . . A 1750 VAL HG22 . 34804 1 202 . 1 . 1 20 20 VAL HG23 H 1 0.938 . . . . . . . A 1750 VAL HG23 . 34804 1 203 . 1 . 1 20 20 VAL CA C 13 65.929 . . . . . . . A 1750 VAL CA . 34804 1 204 . 1 . 1 20 20 VAL CB C 13 31.190 . . . . . . . A 1750 VAL CB . 34804 1 205 . 1 . 1 20 20 VAL CG1 C 13 21.382 . . . . . . . A 1750 VAL CG1 . 34804 1 206 . 1 . 1 20 20 VAL CG2 C 13 19.749 . . . . . . . A 1750 VAL CG2 . 34804 1 207 . 1 . 1 21 21 GLY H H 1 8.248 . . . . . . . A 1751 GLY H . 34804 1 208 . 1 . 1 21 21 GLY HA2 H 1 3.739 . . . . . . . A 1751 GLY HA2 . 34804 1 209 . 1 . 1 21 21 GLY HA3 H 1 3.889 . . . . . . . A 1751 GLY HA3 . 34804 1 210 . 1 . 1 21 21 GLY CA C 13 46.343 . . . . . . . A 1751 GLY CA . 34804 1 211 . 1 . 1 22 22 CYS H H 1 7.964 . . . . . . . A 1752 CYS H . 34804 1 212 . 1 . 1 22 22 CYS HA H 1 4.068 . . . . . . . A 1752 CYS HA . 34804 1 213 . 1 . 1 22 22 CYS HB2 H 1 2.926 . . . . . . . A 1752 CYS HB2 . 34804 1 214 . 1 . 1 22 22 CYS HB3 H 1 2.628 . . . . . . . A 1752 CYS HB3 . 34804 1 215 . 1 . 1 22 22 CYS CA C 13 62.404 . . . . . . . A 1752 CYS CA . 34804 1 216 . 1 . 1 22 22 CYS CB C 13 25.792 . . . . . . . A 1752 CYS CB . 34804 1 217 . 1 . 1 23 23 GLY H H 1 7.955 . . . . . . . A 1753 GLY H . 34804 1 218 . 1 . 1 23 23 GLY HA2 H 1 3.766 . . . . . . . A 1753 GLY HA2 . 34804 1 219 . 1 . 1 23 23 GLY HA3 H 1 3.847 . . . . . . . A 1753 GLY HA3 . 34804 1 220 . 1 . 1 23 23 GLY CA C 13 46.363 . . . . . . . A 1753 GLY CA . 34804 1 221 . 1 . 1 24 24 VAL H H 1 8.106 . . . . . . . A 1754 VAL H . 34804 1 222 . 1 . 1 24 24 VAL HA H 1 3.656 . . . . . . . A 1754 VAL HA . 34804 1 223 . 1 . 1 24 24 VAL HB H 1 2.221 . . . . . . . A 1754 VAL HB . 34804 1 224 . 1 . 1 24 24 VAL HG11 H 1 1.032 . . . . . . . A 1754 VAL HG11 . 34804 1 225 . 1 . 1 24 24 VAL HG12 H 1 1.032 . . . . . . . A 1754 VAL HG12 . 34804 1 226 . 1 . 1 24 24 VAL HG13 H 1 1.032 . . . . . . . A 1754 VAL HG13 . 34804 1 227 . 1 . 1 24 24 VAL HG21 H 1 0.910 . . . . . . . A 1754 VAL HG21 . 34804 1 228 . 1 . 1 24 24 VAL HG22 H 1 0.910 . . . . . . . A 1754 VAL HG22 . 34804 1 229 . 1 . 1 24 24 VAL HG23 H 1 0.910 . . . . . . . A 1754 VAL HG23 . 34804 1 230 . 1 . 1 24 24 VAL CA C 13 66.184 . . . . . . . A 1754 VAL CA . 34804 1 231 . 1 . 1 24 24 VAL CB C 13 31.032 . . . . . . . A 1754 VAL CB . 34804 1 232 . 1 . 1 24 24 VAL CG1 C 13 20.364 . . . . . . . A 1754 VAL CG1 . 34804 1 233 . 1 . 1 24 24 VAL CG2 C 13 19.873 . . . . . . . A 1754 VAL CG2 . 34804 1 234 . 1 . 1 25 25 LEU H H 1 7.914 . . . . . . . A 1755 LEU H . 34804 1 235 . 1 . 1 25 25 LEU HA H 1 4.057 . . . . . . . A 1755 LEU HA . 34804 1 236 . 1 . 1 25 25 LEU HB2 H 1 1.825 . . . . . . . A 1755 LEU HB2 . 34804 1 237 . 1 . 1 25 25 LEU HB3 H 1 1.634 . . . . . . . A 1755 LEU HB3 . 34804 1 238 . 1 . 1 25 25 LEU HG H 1 1.702 . . . . . . . A 1755 LEU HG . 34804 1 239 . 1 . 1 25 25 LEU HD11 H 1 0.869 . . . . . . . A 1755 LEU HD11 . 34804 1 240 . 1 . 1 25 25 LEU HD12 H 1 0.869 . . . . . . . A 1755 LEU HD12 . 34804 1 241 . 1 . 1 25 25 LEU HD13 H 1 0.869 . . . . . . . A 1755 LEU HD13 . 34804 1 242 . 1 . 1 25 25 LEU HD21 H 1 0.905 . . . . . . . A 1755 LEU HD21 . 34804 1 243 . 1 . 1 25 25 LEU HD22 H 1 0.905 . . . . . . . A 1755 LEU HD22 . 34804 1 244 . 1 . 1 25 25 LEU HD23 H 1 0.905 . . . . . . . A 1755 LEU HD23 . 34804 1 245 . 1 . 1 25 25 LEU CA C 13 57.627 . . . . . . . A 1755 LEU CA . 34804 1 246 . 1 . 1 25 25 LEU CB C 13 41.219 . . . . . . . A 1755 LEU CB . 34804 1 247 . 1 . 1 25 25 LEU CG C 13 26.386 . . . . . . . A 1755 LEU CG . 34804 1 248 . 1 . 1 25 25 LEU CD1 C 13 22.262 . . . . . . . A 1755 LEU CD1 . 34804 1 249 . 1 . 1 25 25 LEU CD2 C 13 23.338 . . . . . . . A 1755 LEU CD2 . 34804 1 250 . 1 . 1 26 26 LEU H H 1 8.292 . . . . . . . A 1756 LEU H . 34804 1 251 . 1 . 1 26 26 LEU HA H 1 4.103 . . . . . . . A 1756 LEU HA . 34804 1 252 . 1 . 1 26 26 LEU HB2 H 1 1.793 . . . . . . . A 1756 LEU HB2 . 34804 1 253 . 1 . 1 26 26 LEU HB3 H 1 1.842 . . . . . . . A 1756 LEU HB3 . 34804 1 254 . 1 . 1 26 26 LEU HG H 1 1.585 . . . . . . . A 1756 LEU HG . 34804 1 255 . 1 . 1 26 26 LEU HD11 H 1 0.878 . . . . . . . A 1756 LEU HD11 . 34804 1 256 . 1 . 1 26 26 LEU HD12 H 1 0.878 . . . . . . . A 1756 LEU HD12 . 34804 1 257 . 1 . 1 26 26 LEU HD13 H 1 0.878 . . . . . . . A 1756 LEU HD13 . 34804 1 258 . 1 . 1 26 26 LEU HD21 H 1 0.887 . . . . . . . A 1756 LEU HD21 . 34804 1 259 . 1 . 1 26 26 LEU HD22 H 1 0.887 . . . . . . . A 1756 LEU HD22 . 34804 1 260 . 1 . 1 26 26 LEU HD23 H 1 0.887 . . . . . . . A 1756 LEU HD23 . 34804 1 261 . 1 . 1 26 26 LEU CA C 13 56.959 . . . . . . . A 1756 LEU CA . 34804 1 262 . 1 . 1 26 26 LEU CB C 13 41.146 . . . . . . . A 1756 LEU CB . 34804 1 263 . 1 . 1 26 26 LEU CG C 13 26.321 . . . . . . . A 1756 LEU CG . 34804 1 264 . 1 . 1 26 26 LEU CD1 C 13 21.947 . . . . . . . A 1756 LEU CD1 . 34804 1 265 . 1 . 1 26 26 LEU CD2 C 13 23.501 . . . . . . . A 1756 LEU CD2 . 34804 1 266 . 1 . 1 27 27 SER H H 1 7.920 . . . . . . . A 1757 SER H . 34804 1 267 . 1 . 1 27 27 SER HA H 1 4.223 . . . . . . . A 1757 SER HA . 34804 1 268 . 1 . 1 27 27 SER HB2 H 1 4.065 . . . . . . . A 1757 SER HB2 . 34804 1 269 . 1 . 1 27 27 SER HB3 H 1 4.012 . . . . . . . A 1757 SER HB3 . 34804 1 270 . 1 . 1 27 27 SER CA C 13 60.496 . . . . . . . A 1757 SER CA . 34804 1 271 . 1 . 1 27 27 SER CB C 13 62.581 . . . . . . . A 1757 SER CB . 34804 1 272 . 1 . 1 28 28 LYS H H 1 7.858 . . . . . . . A 1758 LYS H . 34804 1 273 . 1 . 1 28 28 LYS HA H 1 4.265 . . . . . . . A 1758 LYS HA . 34804 1 274 . 1 . 1 28 28 LYS HB2 H 1 1.966 . . . . . . . A 1758 LYS HB2 . 34804 1 275 . 1 . 1 28 28 LYS HG2 H 1 1.567 . . . . . . . A 1758 LYS HG2 . 34804 1 276 . 1 . 1 28 28 LYS HD2 H 1 1.690 . . . . . . . A 1758 LYS HD2 . 34804 1 277 . 1 . 1 28 28 LYS HE2 H 1 2.928 . . . . . . . A 1758 LYS HE2 . 34804 1 278 . 1 . 1 28 28 LYS CA C 13 56.686 . . . . . . . A 1758 LYS CA . 34804 1 279 . 1 . 1 28 28 LYS CB C 13 31.564 . . . . . . . A 1758 LYS CB . 34804 1 280 . 1 . 1 28 28 LYS CG C 13 24.504 . . . . . . . A 1758 LYS CG . 34804 1 281 . 1 . 1 28 28 LYS CD C 13 28.013 . . . . . . . A 1758 LYS CD . 34804 1 282 . 1 . 1 28 28 LYS CE C 13 41.575 . . . . . . . A 1758 LYS CE . 34804 1 283 . 1 . 1 29 29 LYS H H 1 8.000 . . . . . . . A 1759 LYS H . 34804 1 284 . 1 . 1 29 29 LYS HA H 1 4.240 . . . . . . . A 1759 LYS HA . 34804 1 285 . 1 . 1 29 29 LYS HB2 H 1 1.925 . . . . . . . A 1759 LYS HB2 . 34804 1 286 . 1 . 1 29 29 LYS HG2 H 1 1.539 . . . . . . . A 1759 LYS HG2 . 34804 1 287 . 1 . 1 29 29 LYS HD2 H 1 1.701 . . . . . . . A 1759 LYS HD2 . 34804 1 288 . 1 . 1 29 29 LYS HE2 H 1 3.000 . . . . . . . A 1759 LYS HE2 . 34804 1 289 . 1 . 1 29 29 LYS CA C 13 56.593 . . . . . . . A 1759 LYS CA . 34804 1 290 . 1 . 1 29 29 LYS CB C 13 31.863 . . . . . . . A 1759 LYS CB . 34804 1 291 . 1 . 1 29 29 LYS CG C 13 24.007 . . . . . . . A 1759 LYS CG . 34804 1 292 . 1 . 1 29 29 LYS CD C 13 28.210 . . . . . . . A 1759 LYS CD . 34804 1 293 . 1 . 1 29 29 LYS CE C 13 41.528 . . . . . . . A 1759 LYS CE . 34804 1 294 . 1 . 1 30 30 LYS H H 1 7.946 . . . . . . . A 1760 LYS H . 34804 1 295 . 1 . 1 30 30 LYS HA H 1 4.272 . . . . . . . A 1760 LYS HA . 34804 1 296 . 1 . 1 30 30 LYS HB2 H 1 1.851 . . . . . . . A 1760 LYS HB2 . 34804 1 297 . 1 . 1 30 30 LYS HB3 H 1 1.904 . . . . . . . A 1760 LYS HB3 . 34804 1 298 . 1 . 1 30 30 LYS HG2 H 1 1.479 . . . . . . . A 1760 LYS HG2 . 34804 1 299 . 1 . 1 30 30 LYS HG3 H 1 1.551 . . . . . . . A 1760 LYS HG3 . 34804 1 300 . 1 . 1 30 30 LYS HD2 H 1 1.708 . . . . . . . A 1760 LYS HD2 . 34804 1 301 . 1 . 1 30 30 LYS HE2 H 1 3.000 . . . . . . . A 1760 LYS HE2 . 34804 1 302 . 1 . 1 30 30 LYS CA C 13 55.763 . . . . . . . A 1760 LYS CA . 34804 1 303 . 1 . 1 30 30 LYS CB C 13 32.308 . . . . . . . A 1760 LYS CB . 34804 1 304 . 1 . 1 30 30 LYS CG C 13 24.501 . . . . . . . A 1760 LYS CG . 34804 1 305 . 1 . 1 30 30 LYS CD C 13 28.112 . . . . . . . A 1760 LYS CD . 34804 1 306 . 1 . 1 30 30 LYS CE C 13 41.528 . . . . . . . A 1760 LYS CE . 34804 1 stop_ save_