################################### # 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 34807 _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' . . . 34807 1 2 '2D 1H-1H TOCSY' . . . 34807 1 3 '2D 1H-13C HSQC' . . . 34807 1 4 '2D 1H-15N HSQC' . . . 34807 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 8.118 . . . . . . . A 1731 LYS H1 . 34807 1 2 . 1 . 1 1 1 LYS HA H 1 4.146 . . . . . . . A 1731 LYS HA . 34807 1 3 . 1 . 1 1 1 LYS HB2 H 1 1.809 . . . . . . . A 1731 LYS HB2 . 34807 1 4 . 1 . 1 1 1 LYS HB3 H 1 1.849 . . . . . . . A 1731 LYS HB3 . 34807 1 5 . 1 . 1 1 1 LYS HG2 H 1 1.480 . . . . . . . A 1731 LYS HG2 . 34807 1 6 . 1 . 1 1 1 LYS HG3 H 1 1.547 . . . . . . . A 1731 LYS HG3 . 34807 1 7 . 1 . 1 1 1 LYS HD2 H 1 1.732 . . . . . . . A 1731 LYS HD2 . 34807 1 8 . 1 . 1 1 1 LYS HE2 H 1 2.999 . . . . . . . A 1731 LYS HE2 . 34807 1 9 . 1 . 1 1 1 LYS CA C 13 57.853 . . . . . . . A 1731 LYS CA . 34807 1 10 . 1 . 1 1 1 LYS CB C 13 32.110 . . . . . . . A 1731 LYS CB . 34807 1 11 . 1 . 1 1 1 LYS CG C 13 24.423 . . . . . . . A 1731 LYS CG . 34807 1 12 . 1 . 1 1 1 LYS CD C 13 28.576 . . . . . . . A 1731 LYS CD . 34807 1 13 . 1 . 1 1 1 LYS CE C 13 41.563 . . . . . . . A 1731 LYS CE . 34807 1 14 . 1 . 1 1 1 LYS N N 15 125.959 . . . . . . . A 1731 LYS N . 34807 1 15 . 1 . 1 2 2 LYS H H 1 8.488 . . . . . . . A 1732 LYS H . 34807 1 16 . 1 . 1 2 2 LYS HA H 1 4.142 . . . . . . . A 1732 LYS HA . 34807 1 17 . 1 . 1 2 2 LYS HB2 H 1 1.852 . . . . . . . A 1732 LYS HB2 . 34807 1 18 . 1 . 1 2 2 LYS HG2 H 1 1.444 . . . . . . . A 1732 LYS HG2 . 34807 1 19 . 1 . 1 2 2 LYS HG3 H 1 1.563 . . . . . . . A 1732 LYS HG3 . 34807 1 20 . 1 . 1 2 2 LYS HD2 H 1 1.723 . . . . . . . A 1732 LYS HD2 . 34807 1 21 . 1 . 1 2 2 LYS HE2 H 1 2.999 . . . . . . . A 1732 LYS HE2 . 34807 1 22 . 1 . 1 2 2 LYS CA C 13 58.259 . . . . . . . A 1732 LYS CA . 34807 1 23 . 1 . 1 2 2 LYS CB C 13 31.760 . . . . . . . A 1732 LYS CB . 34807 1 24 . 1 . 1 2 2 LYS CG C 13 24.432 . . . . . . . A 1732 LYS CG . 34807 1 25 . 1 . 1 2 2 LYS CD C 13 28.563 . . . . . . . A 1732 LYS CD . 34807 1 26 . 1 . 1 2 2 LYS CE C 13 41.563 . . . . . . . A 1732 LYS CE . 34807 1 27 . 1 . 1 2 2 LYS N N 15 119.374 . . . . . . . A 1732 LYS N . 34807 1 28 . 1 . 1 3 3 LYS H H 1 7.886 . . . . . . . A 1733 LYS H . 34807 1 29 . 1 . 1 3 3 LYS HA H 1 4.192 . . . . . . . A 1733 LYS HA . 34807 1 30 . 1 . 1 3 3 LYS HB2 H 1 1.898 . . . . . . . A 1733 LYS HB2 . 34807 1 31 . 1 . 1 3 3 LYS HG2 H 1 1.557 . . . . . . . A 1733 LYS HG2 . 34807 1 32 . 1 . 1 3 3 LYS HG3 H 1 1.486 . . . . . . . A 1733 LYS HG3 . 34807 1 33 . 1 . 1 3 3 LYS HD2 H 1 1.738 . . . . . . . A 1733 LYS HD2 . 34807 1 34 . 1 . 1 3 3 LYS HE2 H 1 2.999 . . . . . . . A 1733 LYS HE2 . 34807 1 35 . 1 . 1 3 3 LYS CA C 13 58.096 . . . . . . . A 1733 LYS CA . 34807 1 36 . 1 . 1 3 3 LYS CB C 13 31.802 . . . . . . . A 1733 LYS CB . 34807 1 37 . 1 . 1 3 3 LYS CG C 13 23.940 . . . . . . . A 1733 LYS CG . 34807 1 38 . 1 . 1 3 3 LYS CD C 13 28.576 . . . . . . . A 1733 LYS CD . 34807 1 39 . 1 . 1 3 3 LYS CE C 13 41.563 . . . . . . . A 1733 LYS CE . 34807 1 40 . 1 . 1 3 3 LYS N N 15 118.824 . . . . . . . A 1733 LYS N . 34807 1 41 . 1 . 1 4 4 LEU H H 1 7.725 . . . . . . . A 1734 LEU H . 34807 1 42 . 1 . 1 4 4 LEU HA H 1 4.228 . . . . . . . A 1734 LEU HA . 34807 1 43 . 1 . 1 4 4 LEU HB2 H 1 1.748 . . . . . . . A 1734 LEU HB2 . 34807 1 44 . 1 . 1 4 4 LEU HB3 H 1 1.699 . . . . . . . A 1734 LEU HB3 . 34807 1 45 . 1 . 1 4 4 LEU HG H 1 1.617 . . . . . . . A 1734 LEU HG . 34807 1 46 . 1 . 1 4 4 LEU HD11 H 1 0.916 . . . . . . . A 1734 LEU HD11 . 34807 1 47 . 1 . 1 4 4 LEU HD12 H 1 0.916 . . . . . . . A 1734 LEU HD12 . 34807 1 48 . 1 . 1 4 4 LEU HD13 H 1 0.916 . . . . . . . A 1734 LEU HD13 . 34807 1 49 . 1 . 1 4 4 LEU HD21 H 1 0.958 . . . . . . . A 1734 LEU HD21 . 34807 1 50 . 1 . 1 4 4 LEU HD22 H 1 0.958 . . . . . . . A 1734 LEU HD22 . 34807 1 51 . 1 . 1 4 4 LEU HD23 H 1 0.958 . . . . . . . A 1734 LEU HD23 . 34807 1 52 . 1 . 1 4 4 LEU CA C 13 56.581 . . . . . . . A 1734 LEU CA . 34807 1 53 . 1 . 1 4 4 LEU CB C 13 41.192 . . . . . . . A 1734 LEU CB . 34807 1 54 . 1 . 1 4 4 LEU CG C 13 26.412 . . . . . . . A 1734 LEU CG . 34807 1 55 . 1 . 1 4 4 LEU CD1 C 13 22.322 . . . . . . . A 1734 LEU CD1 . 34807 1 56 . 1 . 1 4 4 LEU CD2 C 13 23.414 . . . . . . . A 1734 LEU CD2 . 34807 1 57 . 1 . 1 4 4 LEU N N 15 116.864 . . . . . . . A 1734 LEU N . 34807 1 58 . 1 . 1 5 5 HIS H H 1 7.986 . . . . . . . A 1735 HIS H . 34807 1 59 . 1 . 1 5 5 HIS HA H 1 4.331 . . . . . . . A 1735 HIS HA . 34807 1 60 . 1 . 1 5 5 HIS HB2 H 1 3.153 . . . . . . . A 1735 HIS HB2 . 34807 1 61 . 1 . 1 5 5 HIS HD1 H 1 6.719 . . . . . . . A 1735 HIS HD1 . 34807 1 62 . 1 . 1 5 5 HIS CA C 13 58.694 . . . . . . . A 1735 HIS CA . 34807 1 63 . 1 . 1 5 5 HIS CB C 13 29.230 . . . . . . . A 1735 HIS CB . 34807 1 64 . 1 . 1 5 5 HIS N N 15 117.428 . . . . . . . A 1735 HIS N . 34807 1 65 . 1 . 1 6 6 PHE H H 1 7.864 . . . . . . . A 1736 PHE H . 34807 1 66 . 1 . 1 6 6 PHE HA H 1 4.315 . . . . . . . A 1736 PHE HA . 34807 1 67 . 1 . 1 6 6 PHE HB2 H 1 3.206 . . . . . . . A 1736 PHE HB2 . 34807 1 68 . 1 . 1 6 6 PHE HD1 H 1 7.225 . . . . . . . A 1736 PHE HD1 . 34807 1 69 . 1 . 1 6 6 PHE HD2 H 1 7.225 . . . . . . . A 1736 PHE HD2 . 34807 1 70 . 1 . 1 6 6 PHE CA C 13 59.806 . . . . . . . A 1736 PHE CA . 34807 1 71 . 1 . 1 6 6 PHE CB C 13 38.197 . . . . . . . A 1736 PHE CB . 34807 1 72 . 1 . 1 6 6 PHE CD1 C 13 129.053 . . . . . . . A 1736 PHE CD1 . 34807 1 73 . 1 . 1 6 6 PHE N N 15 117.823 . . . . . . . A 1736 PHE N . 34807 1 74 . 1 . 1 7 7 MET H H 1 8.176 . . . . . . . A 1737 MET H . 34807 1 75 . 1 . 1 7 7 MET HA H 1 4.147 . . . . . . . A 1737 MET HA . 34807 1 76 . 1 . 1 7 7 MET HB2 H 1 2.025 . . . . . . . A 1737 MET HB2 . 34807 1 77 . 1 . 1 7 7 MET HB3 H 1 2.154 . . . . . . . A 1737 MET HB3 . 34807 1 78 . 1 . 1 7 7 MET HG2 H 1 2.500 . . . . . . . A 1737 MET HG2 . 34807 1 79 . 1 . 1 7 7 MET HG3 H 1 2.592 . . . . . . . A 1737 MET HG3 . 34807 1 80 . 1 . 1 7 7 MET CA C 13 57.232 . . . . . . . A 1737 MET CA . 34807 1 81 . 1 . 1 7 7 MET CB C 13 31.718 . . . . . . . A 1737 MET CB . 34807 1 82 . 1 . 1 7 7 MET CG C 13 31.373 . . . . . . . A 1737 MET CG . 34807 1 83 . 1 . 1 7 7 MET N N 15 118.334 . . . . . . . A 1737 MET N . 34807 1 84 . 1 . 1 8 8 TYR H H 1 8.102 . . . . . . . A 1738 TYR H . 34807 1 85 . 1 . 1 8 8 TYR HA H 1 4.371 . . . . . . . A 1738 TYR HA . 34807 1 86 . 1 . 1 8 8 TYR HB2 H 1 3.079 . . . . . . . A 1738 TYR HB2 . 34807 1 87 . 1 . 1 8 8 TYR HB3 H 1 3.127 . . . . . . . A 1738 TYR HB3 . 34807 1 88 . 1 . 1 8 8 TYR HD1 H 1 7.080 . . . . . . . A 1738 TYR HD1 . 34807 1 89 . 1 . 1 8 8 TYR HD2 H 1 7.080 . . . . . . . A 1738 TYR HD2 . 34807 1 90 . 1 . 1 8 8 TYR HE1 H 1 6.778 . . . . . . . A 1738 TYR HE1 . 34807 1 91 . 1 . 1 8 8 TYR HE2 H 1 6.778 . . . . . . . A 1738 TYR HE2 . 34807 1 92 . 1 . 1 8 8 TYR CA C 13 59.614 . . . . . . . A 1738 TYR CA . 34807 1 93 . 1 . 1 8 8 TYR CB C 13 37.953 . . . . . . . A 1738 TYR CB . 34807 1 94 . 1 . 1 8 8 TYR CD2 C 13 132.050 . . . . . . . A 1738 TYR CD2 . 34807 1 95 . 1 . 1 8 8 TYR N N 15 119.147 . . . . . . . A 1738 TYR N . 34807 1 96 . 1 . 1 9 9 VAL H H 1 8.013 . . . . . . . A 1739 VAL H . 34807 1 97 . 1 . 1 9 9 VAL HA H 1 3.912 . . . . . . . A 1739 VAL HA . 34807 1 98 . 1 . 1 9 9 VAL HB H 1 2.079 . . . . . . . A 1739 VAL HB . 34807 1 99 . 1 . 1 9 9 VAL HG11 H 1 0.916 . . . . . . . A 1739 VAL HG11 . 34807 1 100 . 1 . 1 9 9 VAL HG12 H 1 0.916 . . . . . . . A 1739 VAL HG12 . 34807 1 101 . 1 . 1 9 9 VAL HG13 H 1 0.916 . . . . . . . A 1739 VAL HG13 . 34807 1 102 . 1 . 1 9 9 VAL CA C 13 63.577 . . . . . . . A 1739 VAL CA . 34807 1 103 . 1 . 1 9 9 VAL CB C 13 31.442 . . . . . . . A 1739 VAL CB . 34807 1 104 . 1 . 1 9 9 VAL CG1 C 13 19.864 . . . . . . . A 1739 VAL CG1 . 34807 1 105 . 1 . 1 9 9 VAL N N 15 117.536 . . . . . . . A 1739 VAL N . 34807 1 106 . 1 . 1 10 10 GLY H H 1 7.977 . . . . . . . A 1740 GLY H . 34807 1 107 . 1 . 1 10 10 GLY HA2 H 1 3.795 . . . . . . . A 1740 GLY HA2 . 34807 1 108 . 1 . 1 10 10 GLY HA3 H 1 3.928 . . . . . . . A 1740 GLY HA3 . 34807 1 109 . 1 . 1 10 10 GLY CA C 13 45.012 . . . . . . . A 1740 GLY CA . 34807 1 110 . 1 . 1 10 10 GLY N N 15 107.799 . . . . . . . A 1740 GLY N . 34807 1 111 . 1 . 1 11 11 GLY H H 1 7.864 . . . . . . . A 1741 GLY H . 34807 1 112 . 1 . 1 11 11 GLY HA2 H 1 3.932 . . . . . . . A 1741 GLY HA2 . 34807 1 113 . 1 . 1 11 11 GLY CA C 13 45.140 . . . . . . . A 1741 GLY CA . 34807 1 114 . 1 . 1 11 11 GLY N N 15 107.532 . . . . . . . A 1741 GLY N . 34807 1 115 . 1 . 1 12 12 GLY H H 1 8.095 . . . . . . . A 1742 GLY H . 34807 1 116 . 1 . 1 12 12 GLY HA2 H 1 3.855 . . . . . . . A 1742 GLY HA2 . 34807 1 117 . 1 . 1 12 12 GLY CA C 13 45.690 . . . . . . . A 1742 GLY CA . 34807 1 118 . 1 . 1 12 12 GLY N N 15 107.330 . . . . . . . A 1742 GLY N . 34807 1 119 . 1 . 1 13 13 GLY H H 1 8.152 . . . . . . . A 1743 GLY H . 34807 1 120 . 1 . 1 13 13 GLY HA2 H 1 3.810 . . . . . . . A 1743 GLY HA2 . 34807 1 121 . 1 . 1 13 13 GLY HA3 H 1 3.773 . . . . . . . A 1743 GLY HA3 . 34807 1 122 . 1 . 1 13 13 GLY CA C 13 45.824 . . . . . . . A 1743 GLY CA . 34807 1 123 . 1 . 1 13 13 GLY N N 15 107.251 . . . . . . . A 1743 GLY N . 34807 1 124 . 1 . 1 14 14 PHE H H 1 7.650 . . . . . . . A 1744 PHE H . 34807 1 125 . 1 . 1 14 14 PHE HA H 1 4.385 . . . . . . . A 1744 PHE HA . 34807 1 126 . 1 . 1 14 14 PHE HB2 H 1 3.168 . . . . . . . A 1744 PHE HB2 . 34807 1 127 . 1 . 1 14 14 PHE HD1 H 1 7.245 . . . . . . . A 1744 PHE HD1 . 34807 1 128 . 1 . 1 14 14 PHE HD2 H 1 7.245 . . . . . . . A 1744 PHE HD2 . 34807 1 129 . 1 . 1 14 14 PHE HE1 H 1 7.273 . . . . . . . A 1744 PHE HE1 . 34807 1 130 . 1 . 1 14 14 PHE HE2 H 1 7.273 . . . . . . . A 1744 PHE HE2 . 34807 1 131 . 1 . 1 14 14 PHE CA C 13 59.865 . . . . . . . A 1744 PHE CA . 34807 1 132 . 1 . 1 14 14 PHE CB C 13 38.099 . . . . . . . A 1744 PHE CB . 34807 1 133 . 1 . 1 14 14 PHE CD1 C 13 130.790 . . . . . . . A 1744 PHE CD1 . 34807 1 134 . 1 . 1 14 14 PHE N N 15 118.740 . . . . . . . A 1744 PHE N . 34807 1 135 . 1 . 1 15 15 VAL H H 1 7.493 . . . . . . . A 1745 VAL H . 34807 1 136 . 1 . 1 15 15 VAL HA H 1 3.710 . . . . . . . A 1745 VAL HA . 34807 1 137 . 1 . 1 15 15 VAL HB H 1 2.186 . . . . . . . A 1745 VAL HB . 34807 1 138 . 1 . 1 15 15 VAL HG11 H 1 1.033 . . . . . . . A 1745 VAL HG11 . 34807 1 139 . 1 . 1 15 15 VAL HG12 H 1 1.033 . . . . . . . A 1745 VAL HG12 . 34807 1 140 . 1 . 1 15 15 VAL HG13 H 1 1.033 . . . . . . . A 1745 VAL HG13 . 34807 1 141 . 1 . 1 15 15 VAL CA C 13 65.431 . . . . . . . A 1745 VAL CA . 34807 1 142 . 1 . 1 15 15 VAL CB C 13 31.139 . . . . . . . A 1745 VAL CB . 34807 1 143 . 1 . 1 15 15 VAL CG1 C 13 20.830 . . . . . . . A 1745 VAL CG1 . 34807 1 144 . 1 . 1 15 15 VAL N N 15 118.736 . . . . . . . A 1745 VAL N . 34807 1 145 . 1 . 1 16 16 LEU H H 1 7.517 . . . . . . . A 1746 LEU H . 34807 1 146 . 1 . 1 16 16 LEU HA H 1 4.254 . . . . . . . A 1746 LEU HA . 34807 1 147 . 1 . 1 16 16 LEU HB2 H 1 1.769 . . . . . . . A 1746 LEU HB2 . 34807 1 148 . 1 . 1 16 16 LEU HD11 H 1 0.933 . . . . . . . A 1746 LEU HD11 . 34807 1 149 . 1 . 1 16 16 LEU HD12 H 1 0.933 . . . . . . . A 1746 LEU HD12 . 34807 1 150 . 1 . 1 16 16 LEU HD13 H 1 0.933 . . . . . . . A 1746 LEU HD13 . 34807 1 151 . 1 . 1 16 16 LEU HD21 H 1 0.990 . . . . . . . A 1746 LEU HD21 . 34807 1 152 . 1 . 1 16 16 LEU HD22 H 1 0.990 . . . . . . . A 1746 LEU HD22 . 34807 1 153 . 1 . 1 16 16 LEU HD23 H 1 0.990 . . . . . . . A 1746 LEU HD23 . 34807 1 154 . 1 . 1 16 16 LEU CA C 13 57.682 . . . . . . . A 1746 LEU CA . 34807 1 155 . 1 . 1 16 16 LEU CB C 13 41.161 . . . . . . . A 1746 LEU CB . 34807 1 156 . 1 . 1 16 16 LEU CD1 C 13 22.898 . . . . . . . A 1746 LEU CD1 . 34807 1 157 . 1 . 1 16 16 LEU CD2 C 13 22.888 . . . . . . . A 1746 LEU CD2 . 34807 1 158 . 1 . 1 16 16 LEU N N 15 119.136 . . . . . . . A 1746 LEU N . 34807 1 159 . 1 . 1 17 17 LEU H H 1 7.771 . . . . . . . A 1747 LEU H . 34807 1 160 . 1 . 1 17 17 LEU HA H 1 4.060 . . . . . . . A 1747 LEU HA . 34807 1 161 . 1 . 1 17 17 LEU HB2 H 1 1.837 . . . . . . . A 1747 LEU HB2 . 34807 1 162 . 1 . 1 17 17 LEU HB3 H 1 1.594 . . . . . . . A 1747 LEU HB3 . 34807 1 163 . 1 . 1 17 17 LEU HG H 1 1.781 . . . . . . . A 1747 LEU HG . 34807 1 164 . 1 . 1 17 17 LEU HD11 H 1 0.921 . . . . . . . A 1747 LEU HD11 . 34807 1 165 . 1 . 1 17 17 LEU HD12 H 1 0.921 . . . . . . . A 1747 LEU HD12 . 34807 1 166 . 1 . 1 17 17 LEU HD13 H 1 0.921 . . . . . . . A 1747 LEU HD13 . 34807 1 167 . 1 . 1 17 17 LEU HD21 H 1 0.885 . . . . . . . A 1747 LEU HD21 . 34807 1 168 . 1 . 1 17 17 LEU HD22 H 1 0.885 . . . . . . . A 1747 LEU HD22 . 34807 1 169 . 1 . 1 17 17 LEU HD23 H 1 0.885 . . . . . . . A 1747 LEU HD23 . 34807 1 170 . 1 . 1 17 17 LEU CA C 13 57.367 . . . . . . . A 1747 LEU CA . 34807 1 171 . 1 . 1 17 17 LEU CB C 13 40.980 . . . . . . . A 1747 LEU CB . 34807 1 172 . 1 . 1 17 17 LEU CG C 13 26.341 . . . . . . . A 1747 LEU CG . 34807 1 173 . 1 . 1 17 17 LEU CD1 C 13 23.280 . . . . . . . A 1747 LEU CD1 . 34807 1 174 . 1 . 1 17 17 LEU CD2 C 13 23.430 . . . . . . . A 1747 LEU CD2 . 34807 1 175 . 1 . 1 17 17 LEU N N 15 119.092 . . . . . . . A 1747 LEU N . 34807 1 176 . 1 . 1 18 18 PHE H H 1 8.111 . . . . . . . A 1748 PHE H . 34807 1 177 . 1 . 1 18 18 PHE HA H 1 4.229 . . . . . . . A 1748 PHE HA . 34807 1 178 . 1 . 1 18 18 PHE HB2 H 1 3.034 . . . . . . . A 1748 PHE HB2 . 34807 1 179 . 1 . 1 18 18 PHE HB3 H 1 3.173 . . . . . . . A 1748 PHE HB3 . 34807 1 180 . 1 . 1 18 18 PHE HD1 H 1 6.877 . . . . . . . A 1748 PHE HD1 . 34807 1 181 . 1 . 1 18 18 PHE HD2 H 1 6.877 . . . . . . . A 1748 PHE HD2 . 34807 1 182 . 1 . 1 18 18 PHE HE1 H 1 7.125 . . . . . . . A 1748 PHE HE1 . 34807 1 183 . 1 . 1 18 18 PHE HE2 H 1 7.125 . . . . . . . A 1748 PHE HE2 . 34807 1 184 . 1 . 1 18 18 PHE CA C 13 60.574 . . . . . . . A 1748 PHE CA . 34807 1 185 . 1 . 1 18 18 PHE CB C 13 38.054 . . . . . . . A 1748 PHE CB . 34807 1 186 . 1 . 1 18 18 PHE CD1 C 13 130.869 . . . . . . . A 1748 PHE CD1 . 34807 1 187 . 1 . 1 18 18 PHE CE1 C 13 128.793 . . . . . . . A 1748 PHE CE1 . 34807 1 188 . 1 . 1 18 18 PHE N N 15 120.232 . . . . . . . A 1748 PHE N . 34807 1 189 . 1 . 1 19 19 PHE H H 1 8.297 . . . . . . . A 1749 PHE H . 34807 1 190 . 1 . 1 19 19 PHE HA H 1 4.264 . . . . . . . A 1749 PHE HA . 34807 1 191 . 1 . 1 19 19 PHE HB2 H 1 3.290 . . . . . . . A 1749 PHE HB2 . 34807 1 192 . 1 . 1 19 19 PHE HD1 H 1 7.374 . . . . . . . A 1749 PHE HD1 . 34807 1 193 . 1 . 1 19 19 PHE HD2 H 1 7.374 . . . . . . . A 1749 PHE HD2 . 34807 1 194 . 1 . 1 19 19 PHE CA C 13 61.135 . . . . . . . A 1749 PHE CA . 34807 1 195 . 1 . 1 19 19 PHE CB C 13 38.169 . . . . . . . A 1749 PHE CB . 34807 1 196 . 1 . 1 19 19 PHE CD2 C 13 130.736 . . . . . . . A 1749 PHE CD2 . 34807 1 197 . 1 . 1 19 19 PHE N N 15 119.654 . . . . . . . A 1749 PHE N . 34807 1 198 . 1 . 1 20 20 VAL H H 1 8.765 . . . . . . . A 1750 VAL H . 34807 1 199 . 1 . 1 20 20 VAL HA H 1 3.730 . . . . . . . A 1750 VAL HA . 34807 1 200 . 1 . 1 20 20 VAL HB H 1 2.227 . . . . . . . A 1750 VAL HB . 34807 1 201 . 1 . 1 20 20 VAL HG11 H 1 1.135 . . . . . . . A 1750 VAL HG11 . 34807 1 202 . 1 . 1 20 20 VAL HG12 H 1 1.135 . . . . . . . A 1750 VAL HG12 . 34807 1 203 . 1 . 1 20 20 VAL HG13 H 1 1.135 . . . . . . . A 1750 VAL HG13 . 34807 1 204 . 1 . 1 20 20 VAL HG21 H 1 0.951 . . . . . . . A 1750 VAL HG21 . 34807 1 205 . 1 . 1 20 20 VAL HG22 H 1 0.951 . . . . . . . A 1750 VAL HG22 . 34807 1 206 . 1 . 1 20 20 VAL HG23 H 1 0.951 . . . . . . . A 1750 VAL HG23 . 34807 1 207 . 1 . 1 20 20 VAL CA C 13 65.956 . . . . . . . A 1750 VAL CA . 34807 1 208 . 1 . 1 20 20 VAL CB C 13 31.203 . . . . . . . A 1750 VAL CB . 34807 1 209 . 1 . 1 20 20 VAL CG1 C 13 21.315 . . . . . . . A 1750 VAL CG1 . 34807 1 210 . 1 . 1 20 20 VAL CG2 C 13 19.687 . . . . . . . A 1750 VAL CG2 . 34807 1 211 . 1 . 1 20 20 VAL N N 15 121.053 . . . . . . . A 1750 VAL N . 34807 1 212 . 1 . 1 21 21 GLY H H 1 8.288 . . . . . . . A 1751 GLY H . 34807 1 213 . 1 . 1 21 21 GLY HA2 H 1 3.774 . . . . . . . A 1751 GLY HA2 . 34807 1 214 . 1 . 1 21 21 GLY HA3 H 1 3.908 . . . . . . . A 1751 GLY HA3 . 34807 1 215 . 1 . 1 21 21 GLY CA C 13 46.380 . . . . . . . A 1751 GLY CA . 34807 1 216 . 1 . 1 21 21 GLY N N 15 107.186 . . . . . . . A 1751 GLY N . 34807 1 217 . 1 . 1 22 22 CYS H H 1 8.000 . . . . . . . A 1752 CYS H . 34807 1 218 . 1 . 1 22 22 CYS HA H 1 4.072 . . . . . . . A 1752 CYS HA . 34807 1 219 . 1 . 1 22 22 CYS HB2 H 1 2.637 . . . . . . . A 1752 CYS HB2 . 34807 1 220 . 1 . 1 22 22 CYS HB3 H 1 2.945 . . . . . . . A 1752 CYS HB3 . 34807 1 221 . 1 . 1 22 22 CYS CA C 13 62.586 . . . . . . . A 1752 CYS CA . 34807 1 222 . 1 . 1 22 22 CYS CB C 13 25.750 . . . . . . . A 1752 CYS CB . 34807 1 223 . 1 . 1 22 22 CYS N N 15 118.307 . . . . . . . A 1752 CYS N . 34807 1 224 . 1 . 1 23 23 GLY H H 1 7.933 . . . . . . . A 1753 GLY H . 34807 1 225 . 1 . 1 23 23 GLY HA2 H 1 3.783 . . . . . . . A 1753 GLY HA2 . 34807 1 226 . 1 . 1 23 23 GLY HA3 H 1 3.868 . . . . . . . A 1753 GLY HA3 . 34807 1 227 . 1 . 1 23 23 GLY CA C 13 46.377 . . . . . . . A 1753 GLY CA . 34807 1 228 . 1 . 1 23 23 GLY N N 15 106.906 . . . . . . . A 1753 GLY N . 34807 1 229 . 1 . 1 24 24 VAL H H 1 8.163 . . . . . . . A 1754 VAL H . 34807 1 230 . 1 . 1 24 24 VAL HA H 1 3.646 . . . . . . . A 1754 VAL HA . 34807 1 231 . 1 . 1 24 24 VAL HB H 1 2.246 . . . . . . . A 1754 VAL HB . 34807 1 232 . 1 . 1 24 24 VAL HG11 H 1 1.053 . . . . . . . A 1754 VAL HG11 . 34807 1 233 . 1 . 1 24 24 VAL HG12 H 1 1.053 . . . . . . . A 1754 VAL HG12 . 34807 1 234 . 1 . 1 24 24 VAL HG13 H 1 1.053 . . . . . . . A 1754 VAL HG13 . 34807 1 235 . 1 . 1 24 24 VAL HG21 H 1 0.921 . . . . . . . A 1754 VAL HG21 . 34807 1 236 . 1 . 1 24 24 VAL HG22 H 1 0.921 . . . . . . . A 1754 VAL HG22 . 34807 1 237 . 1 . 1 24 24 VAL HG23 H 1 0.921 . . . . . . . A 1754 VAL HG23 . 34807 1 238 . 1 . 1 24 24 VAL CA C 13 65.984 . . . . . . . A 1754 VAL CA . 34807 1 239 . 1 . 1 24 24 VAL CB C 13 31.007 . . . . . . . A 1754 VAL CB . 34807 1 240 . 1 . 1 24 24 VAL CG1 C 13 20.921 . . . . . . . A 1754 VAL CG1 . 34807 1 241 . 1 . 1 24 24 VAL CG2 C 13 19.864 . . . . . . . A 1754 VAL CG2 . 34807 1 242 . 1 . 1 24 24 VAL N N 15 122.957 . . . . . . . A 1754 VAL N . 34807 1 243 . 1 . 1 25 25 LEU H H 1 7.949 . . . . . . . A 1755 LEU H . 34807 1 244 . 1 . 1 25 25 LEU HA H 1 4.064 . . . . . . . A 1755 LEU HA . 34807 1 245 . 1 . 1 25 25 LEU HB2 H 1 1.653 . . . . . . . A 1755 LEU HB2 . 34807 1 246 . 1 . 1 25 25 LEU HB3 H 1 1.848 . . . . . . . A 1755 LEU HB3 . 34807 1 247 . 1 . 1 25 25 LEU HG H 1 1.722 . . . . . . . A 1755 LEU HG . 34807 1 248 . 1 . 1 25 25 LEU HD11 H 1 0.886 . . . . . . . A 1755 LEU HD11 . 34807 1 249 . 1 . 1 25 25 LEU HD12 H 1 0.886 . . . . . . . A 1755 LEU HD12 . 34807 1 250 . 1 . 1 25 25 LEU HD13 H 1 0.886 . . . . . . . A 1755 LEU HD13 . 34807 1 251 . 1 . 1 25 25 LEU HD21 H 1 0.917 . . . . . . . A 1755 LEU HD21 . 34807 1 252 . 1 . 1 25 25 LEU HD22 H 1 0.917 . . . . . . . A 1755 LEU HD22 . 34807 1 253 . 1 . 1 25 25 LEU HD23 H 1 0.917 . . . . . . . A 1755 LEU HD23 . 34807 1 254 . 1 . 1 25 25 LEU CA C 13 57.724 . . . . . . . A 1755 LEU CA . 34807 1 255 . 1 . 1 25 25 LEU CB C 13 41.122 . . . . . . . A 1755 LEU CB . 34807 1 256 . 1 . 1 25 25 LEU CG C 13 26.394 . . . . . . . A 1755 LEU CG . 34807 1 257 . 1 . 1 25 25 LEU CD1 C 13 22.253 . . . . . . . A 1755 LEU CD1 . 34807 1 258 . 1 . 1 25 25 LEU N N 15 120.654 . . . . . . . A 1755 LEU N . 34807 1 259 . 1 . 1 26 26 LEU H H 1 8.367 . . . . . . . A 1756 LEU H . 34807 1 260 . 1 . 1 26 26 LEU HA H 1 4.107 . . . . . . . A 1756 LEU HA . 34807 1 261 . 1 . 1 26 26 LEU HB2 H 1 1.594 . . . . . . . A 1756 LEU HB2 . 34807 1 262 . 1 . 1 26 26 LEU HB3 H 1 1.861 . . . . . . . A 1756 LEU HB3 . 34807 1 263 . 1 . 1 26 26 LEU HG H 1 1.805 . . . . . . . A 1756 LEU HG . 34807 1 264 . 1 . 1 26 26 LEU HD11 H 1 0.889 . . . . . . . A 1756 LEU HD11 . 34807 1 265 . 1 . 1 26 26 LEU HD12 H 1 0.889 . . . . . . . A 1756 LEU HD12 . 34807 1 266 . 1 . 1 26 26 LEU HD13 H 1 0.889 . . . . . . . A 1756 LEU HD13 . 34807 1 267 . 1 . 1 26 26 LEU CA C 13 57.054 . . . . . . . A 1756 LEU CA . 34807 1 268 . 1 . 1 26 26 LEU CB C 13 41.167 . . . . . . . A 1756 LEU CB . 34807 1 269 . 1 . 1 26 26 LEU CG C 13 26.330 . . . . . . . A 1756 LEU CG . 34807 1 270 . 1 . 1 26 26 LEU CD1 C 13 21.923 . . . . . . . A 1756 LEU CD1 . 34807 1 271 . 1 . 1 26 26 LEU N N 15 118.188 . . . . . . . A 1756 LEU N . 34807 1 272 . 1 . 1 27 27 SER H H 1 7.957 . . . . . . . A 1757 SER H . 34807 1 273 . 1 . 1 27 27 SER HA H 1 4.220 . . . . . . . A 1757 SER HA . 34807 1 274 . 1 . 1 27 27 SER HB2 H 1 4.033 . . . . . . . A 1757 SER HB2 . 34807 1 275 . 1 . 1 27 27 SER HB3 H 1 4.082 . . . . . . . A 1757 SER HB3 . 34807 1 276 . 1 . 1 27 27 SER CA C 13 60.574 . . . . . . . A 1757 SER CA . 34807 1 277 . 1 . 1 27 27 SER CB C 13 62.562 . . . . . . . A 1757 SER CB . 34807 1 278 . 1 . 1 27 27 SER N N 15 113.765 . . . . . . . A 1757 SER N . 34807 1 279 . 1 . 1 28 28 LYS H H 1 7.861 . . . . . . . A 1758 LYS H . 34807 1 280 . 1 . 1 28 28 LYS HA H 1 4.267 . . . . . . . A 1758 LYS HA . 34807 1 281 . 1 . 1 28 28 LYS HB2 H 1 1.960 . . . . . . . A 1758 LYS HB2 . 34807 1 282 . 1 . 1 28 28 LYS HB3 H 1 1.997 . . . . . . . A 1758 LYS HB3 . 34807 1 283 . 1 . 1 28 28 LYS HG2 H 1 1.580 . . . . . . . A 1758 LYS HG2 . 34807 1 284 . 1 . 1 28 28 LYS HD2 H 1 1.684 . . . . . . . A 1758 LYS HD2 . 34807 1 285 . 1 . 1 28 28 LYS HE2 H 1 2.941 . . . . . . . A 1758 LYS HE2 . 34807 1 286 . 1 . 1 28 28 LYS CA C 13 55.720 . . . . . . . A 1758 LYS CA . 34807 1 287 . 1 . 1 28 28 LYS CB C 13 31.487 . . . . . . . A 1758 LYS CB . 34807 1 288 . 1 . 1 28 28 LYS CG C 13 23.979 . . . . . . . A 1758 LYS CG . 34807 1 289 . 1 . 1 28 28 LYS CD C 13 27.970 . . . . . . . A 1758 LYS CD . 34807 1 290 . 1 . 1 28 28 LYS CE C 13 41.663 . . . . . . . A 1758 LYS CE . 34807 1 291 . 1 . 1 28 28 LYS N N 15 121.334 . . . . . . . A 1758 LYS N . 34807 1 292 . 1 . 1 29 29 LYS H H 1 7.997 . . . . . . . A 1759 LYS H . 34807 1 293 . 1 . 1 29 29 LYS HA H 1 4.241 . . . . . . . A 1759 LYS HA . 34807 1 294 . 1 . 1 29 29 LYS HB2 H 1 1.937 . . . . . . . A 1759 LYS HB2 . 34807 1 295 . 1 . 1 29 29 LYS HG2 H 1 1.555 . . . . . . . A 1759 LYS HG2 . 34807 1 296 . 1 . 1 29 29 LYS HD2 H 1 1.706 . . . . . . . A 1759 LYS HD2 . 34807 1 297 . 1 . 1 29 29 LYS HE2 H 1 2.941 . . . . . . . A 1759 LYS HE2 . 34807 1 298 . 1 . 1 29 29 LYS CA C 13 56.581 . . . . . . . A 1759 LYS CA . 34807 1 299 . 1 . 1 29 29 LYS CB C 13 31.816 . . . . . . . A 1759 LYS CB . 34807 1 300 . 1 . 1 29 29 LYS CG C 13 23.965 . . . . . . . A 1759 LYS CG . 34807 1 301 . 1 . 1 29 29 LYS CD C 13 28.180 . . . . . . . A 1759 LYS CD . 34807 1 302 . 1 . 1 29 29 LYS CE C 13 41.663 . . . . . . . A 1759 LYS CE . 34807 1 303 . 1 . 1 29 29 LYS N N 15 119.512 . . . . . . . A 1759 LYS N . 34807 1 304 . 1 . 1 30 30 LYS H H 1 7.913 . . . . . . . A 1760 LYS H . 34807 1 305 . 1 . 1 30 30 LYS HA H 1 4.275 . . . . . . . A 1760 LYS HA . 34807 1 306 . 1 . 1 30 30 LYS HB2 H 1 1.854 . . . . . . . A 1760 LYS HB2 . 34807 1 307 . 1 . 1 30 30 LYS HB3 H 1 1.915 . . . . . . . A 1760 LYS HB3 . 34807 1 308 . 1 . 1 30 30 LYS HG2 H 1 1.498 . . . . . . . A 1760 LYS HG2 . 34807 1 309 . 1 . 1 30 30 LYS HG3 H 1 1.532 . . . . . . . A 1760 LYS HG3 . 34807 1 310 . 1 . 1 30 30 LYS HD2 H 1 1.708 . . . . . . . A 1760 LYS HD2 . 34807 1 311 . 1 . 1 30 30 LYS HE2 H 1 2.941 . . . . . . . A 1760 LYS HE2 . 34807 1 312 . 1 . 1 30 30 LYS CA C 13 56.652 . . . . . . . A 1760 LYS CA . 34807 1 313 . 1 . 1 30 30 LYS CB C 13 32.284 . . . . . . . A 1760 LYS CB . 34807 1 314 . 1 . 1 30 30 LYS CG C 13 23.948 . . . . . . . A 1760 LYS CG . 34807 1 315 . 1 . 1 30 30 LYS CD C 13 28.180 . . . . . . . A 1760 LYS CD . 34807 1 316 . 1 . 1 30 30 LYS CE C 13 41.663 . . . . . . . A 1760 LYS CE . 34807 1 317 . 1 . 1 30 30 LYS N N 15 119.596 . . . . . . . A 1760 LYS N . 34807 1 stop_ save_