################################### # 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 30214 _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 TOCSY' . . . 30214 1 2 '2D 1H-1H NOESY' . . . 30214 1 3 '2D 1H-15N HSQC' . . . 30214 1 4 '2D 1H-13C HSQC' . . . 30214 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 GLY HA2 H 1 4.089 . . . . . . . A 1 GLY HA2 . 30214 1 2 . 1 . 1 1 1 GLY HA3 H 1 3.973 . . . . . . . A 1 GLY HA3 . 30214 1 3 . 1 . 1 1 1 GLY CA C 13 43.462 . . . . . . . A 1 GLY CA . 30214 1 4 . 1 . 1 2 2 VAL H H 1 9.496 . . . . . . . A 2 VAL H . 30214 1 5 . 1 . 1 2 2 VAL HA H 1 3.653 . . . . . . . A 2 VAL HA . 30214 1 6 . 1 . 1 2 2 VAL HB H 1 2.151 . . . . . . . A 2 VAL HB . 30214 1 7 . 1 . 1 2 2 VAL HG11 H 1 1.104 . . . . . . . A 2 VAL HG11 . 30214 1 8 . 1 . 1 2 2 VAL HG12 H 1 1.104 . . . . . . . A 2 VAL HG12 . 30214 1 9 . 1 . 1 2 2 VAL HG13 H 1 1.104 . . . . . . . A 2 VAL HG13 . 30214 1 10 . 1 . 1 2 2 VAL HG21 H 1 0.962 . . . . . . . A 2 VAL HG21 . 30214 1 11 . 1 . 1 2 2 VAL HG22 H 1 0.962 . . . . . . . A 2 VAL HG22 . 30214 1 12 . 1 . 1 2 2 VAL HG23 H 1 0.962 . . . . . . . A 2 VAL HG23 . 30214 1 13 . 1 . 1 2 2 VAL CA C 13 66.777 . . . . . . . A 2 VAL CA . 30214 1 14 . 1 . 1 2 2 VAL CB C 13 31.960 . . . . . . . A 2 VAL CB . 30214 1 15 . 1 . 1 2 2 VAL CG1 C 13 22.916 . . . . . . . A 2 VAL CG1 . 30214 1 16 . 1 . 1 2 2 VAL CG2 C 13 21.787 . . . . . . . A 2 VAL CG2 . 30214 1 17 . 1 . 1 2 2 VAL N N 15 122.385 . . . . . . . A 2 VAL N . 30214 1 18 . 1 . 1 3 3 VAL H H 1 8.890 . . . . . . . A 3 VAL H . 30214 1 19 . 1 . 1 3 3 VAL HA H 1 3.523 . . . . . . . A 3 VAL HA . 30214 1 20 . 1 . 1 3 3 VAL HB H 1 2.095 . . . . . . . A 3 VAL HB . 30214 1 21 . 1 . 1 3 3 VAL HG11 H 1 1.070 . . . . . . . A 3 VAL HG11 . 30214 1 22 . 1 . 1 3 3 VAL HG12 H 1 1.070 . . . . . . . A 3 VAL HG12 . 30214 1 23 . 1 . 1 3 3 VAL HG13 H 1 1.070 . . . . . . . A 3 VAL HG13 . 30214 1 24 . 1 . 1 3 3 VAL HG21 H 1 0.953 . . . . . . . A 3 VAL HG21 . 30214 1 25 . 1 . 1 3 3 VAL HG22 H 1 0.953 . . . . . . . A 3 VAL HG22 . 30214 1 26 . 1 . 1 3 3 VAL HG23 H 1 0.953 . . . . . . . A 3 VAL HG23 . 30214 1 27 . 1 . 1 3 3 VAL CA C 13 67.765 . . . . . . . A 3 VAL CA . 30214 1 28 . 1 . 1 3 3 VAL CB C 13 31.020 . . . . . . . A 3 VAL CB . 30214 1 29 . 1 . 1 3 3 VAL CG1 C 13 23.861 . . . . . . . A 3 VAL CG1 . 30214 1 30 . 1 . 1 3 3 VAL CG2 C 13 21.855 . . . . . . . A 3 VAL CG2 . 30214 1 31 . 1 . 1 3 3 VAL N N 15 119.613 . . . . . . . A 3 VAL N . 30214 1 32 . 1 . 1 4 4 ASP H H 1 7.695 . . . . . . . A 4 ASP H . 30214 1 33 . 1 . 1 4 4 ASP HA H 1 4.320 . . . . . . . A 4 ASP HA . 30214 1 34 . 1 . 1 4 4 ASP HB2 H 1 2.770 . . . . . . . A 4 ASP HB2 . 30214 1 35 . 1 . 1 4 4 ASP HB3 H 1 2.707 . . . . . . . A 4 ASP HB3 . 30214 1 36 . 1 . 1 4 4 ASP CA C 13 57.528 . . . . . . . A 4 ASP CA . 30214 1 37 . 1 . 1 4 4 ASP CB C 13 40.775 . . . . . . . A 4 ASP CB . 30214 1 38 . 1 . 1 4 4 ASP N N 15 118.222 . . . . . . . A 4 ASP N . 30214 1 39 . 1 . 1 5 5 ILE H H 1 7.803 . . . . . . . A 5 ILE H . 30214 1 40 . 1 . 1 5 5 ILE HA H 1 3.824 . . . . . . . A 5 ILE HA . 30214 1 41 . 1 . 1 5 5 ILE HB H 1 2.062 . . . . . . . A 5 ILE HB . 30214 1 42 . 1 . 1 5 5 ILE HG12 H 1 1.738 . . . . . . . A 5 ILE HG12 . 30214 1 43 . 1 . 1 5 5 ILE HG13 H 1 1.246 . . . . . . . A 5 ILE HG13 . 30214 1 44 . 1 . 1 5 5 ILE HG21 H 1 0.912 . . . . . . . A 5 ILE HG21 . 30214 1 45 . 1 . 1 5 5 ILE HG22 H 1 0.912 . . . . . . . A 5 ILE HG22 . 30214 1 46 . 1 . 1 5 5 ILE HG23 H 1 0.912 . . . . . . . A 5 ILE HG23 . 30214 1 47 . 1 . 1 5 5 ILE HD11 H 1 0.845 . . . . . . . A 5 ILE HD11 . 30214 1 48 . 1 . 1 5 5 ILE HD12 H 1 0.845 . . . . . . . A 5 ILE HD12 . 30214 1 49 . 1 . 1 5 5 ILE HD13 H 1 0.845 . . . . . . . A 5 ILE HD13 . 30214 1 50 . 1 . 1 5 5 ILE CA C 13 64.407 . . . . . . . A 5 ILE CA . 30214 1 51 . 1 . 1 5 5 ILE CB C 13 37.787 . . . . . . . A 5 ILE CB . 30214 1 52 . 1 . 1 5 5 ILE CG1 C 13 26.583 . . . . . . . A 5 ILE CG1 . 30214 1 53 . 1 . 1 5 5 ILE CG2 C 13 17.702 . . . . . . . A 5 ILE CG2 . 30214 1 54 . 1 . 1 5 5 ILE CD1 C 13 13.207 . . . . . . . A 5 ILE CD1 . 30214 1 55 . 1 . 1 5 5 ILE N N 15 121.484 . . . . . . . A 5 ILE N . 30214 1 56 . 1 . 1 6 6 LEU H H 1 8.312 . . . . . . . A 6 LEU H . 30214 1 57 . 1 . 1 6 6 LEU HA H 1 4.015 . . . . . . . A 6 LEU HA . 30214 1 58 . 1 . 1 6 6 LEU HB2 H 1 1.970 . . . . . . . A 6 LEU HB2 . 30214 1 59 . 1 . 1 6 6 LEU HB3 H 1 1.463 . . . . . . . A 6 LEU HB3 . 30214 1 60 . 1 . 1 6 6 LEU HG H 1 1.933 . . . . . . . A 6 LEU HG . 30214 1 61 . 1 . 1 6 6 LEU HD11 H 1 0.856 . . . . . . . A 6 LEU HD11 . 30214 1 62 . 1 . 1 6 6 LEU HD12 H 1 0.856 . . . . . . . A 6 LEU HD12 . 30214 1 63 . 1 . 1 6 6 LEU HD13 H 1 0.856 . . . . . . . A 6 LEU HD13 . 30214 1 64 . 1 . 1 6 6 LEU HD21 H 1 0.817 . . . . . . . A 6 LEU HD21 . 30214 1 65 . 1 . 1 6 6 LEU HD22 H 1 0.817 . . . . . . . A 6 LEU HD22 . 30214 1 66 . 1 . 1 6 6 LEU HD23 H 1 0.817 . . . . . . . A 6 LEU HD23 . 30214 1 67 . 1 . 1 6 6 LEU CA C 13 58.150 . . . . . . . A 6 LEU CA . 30214 1 68 . 1 . 1 6 6 LEU CB C 13 41.754 . . . . . . . A 6 LEU CB . 30214 1 69 . 1 . 1 6 6 LEU CG C 13 26.765 . . . . . . . A 6 LEU CG . 30214 1 70 . 1 . 1 6 6 LEU CD1 C 13 26.079 . . . . . . . A 6 LEU CD1 . 30214 1 71 . 1 . 1 6 6 LEU CD2 C 13 23.169 . . . . . . . A 6 LEU CD2 . 30214 1 72 . 1 . 1 6 6 LEU N N 15 120.411 . . . . . . . A 6 LEU N . 30214 1 73 . 1 . 1 7 7 LYS H H 1 8.666 . . . . . . . A 7 LYS H . 30214 1 74 . 1 . 1 7 7 LYS HA H 1 3.844 . . . . . . . A 7 LYS HA . 30214 1 75 . 1 . 1 7 7 LYS HB2 H 1 1.945 . . . . . . . A 7 LYS HB2 . 30214 1 76 . 1 . 1 7 7 LYS HB3 H 1 1.873 . . . . . . . A 7 LYS HB3 . 30214 1 77 . 1 . 1 7 7 LYS HG2 H 1 1.646 . . . . . . . A 7 LYS HG2 . 30214 1 78 . 1 . 1 7 7 LYS HG3 H 1 1.424 . . . . . . . A 7 LYS HG3 . 30214 1 79 . 1 . 1 7 7 LYS HD2 H 1 1.728 . . . . . . . A 7 LYS HD2 . 30214 1 80 . 1 . 1 7 7 LYS HD3 H 1 1.669 . . . . . . . A 7 LYS HD3 . 30214 1 81 . 1 . 1 7 7 LYS HE2 H 1 2.921 . . . . . . . A 7 LYS HE2 . 30214 1 82 . 1 . 1 7 7 LYS HE3 H 1 2.755 . . . . . . . A 7 LYS HE3 . 30214 1 83 . 1 . 1 7 7 LYS CA C 13 60.795 . . . . . . . A 7 LYS CA . 30214 1 84 . 1 . 1 7 7 LYS CB C 13 32.818 . . . . . . . A 7 LYS CB . 30214 1 85 . 1 . 1 7 7 LYS CG C 13 25.825 . . . . . . . A 7 LYS CG . 30214 1 86 . 1 . 1 7 7 LYS CD C 13 29.796 . . . . . . . A 7 LYS CD . 30214 1 87 . 1 . 1 7 7 LYS CE C 13 42.062 . . . . . . . A 7 LYS CE . 30214 1 88 . 1 . 1 7 7 LYS N N 15 118.141 . . . . . . . A 7 LYS N . 30214 1 89 . 1 . 1 8 8 GLY H H 1 8.016 . . . . . . . A 8 GLY H . 30214 1 90 . 1 . 1 8 8 GLY HA2 H 1 3.920 . . . . . . . A 8 GLY HA2 . 30214 1 91 . 1 . 1 8 8 GLY HA3 H 1 3.837 . . . . . . . A 8 GLY HA3 . 30214 1 92 . 1 . 1 8 8 GLY CA C 13 47.085 . . . . . . . A 8 GLY CA . 30214 1 93 . 1 . 1 8 8 GLY N N 15 106.133 . . . . . . . A 8 GLY N . 30214 1 94 . 1 . 1 9 9 ALA H H 1 8.377 . . . . . . . A 9 ALA H . 30214 1 95 . 1 . 1 9 9 ALA HA H 1 4.212 . . . . . . . A 9 ALA HA . 30214 1 96 . 1 . 1 9 9 ALA HB1 H 1 1.503 . . . . . . . A 9 ALA HB1 . 30214 1 97 . 1 . 1 9 9 ALA HB2 H 1 1.503 . . . . . . . A 9 ALA HB2 . 30214 1 98 . 1 . 1 9 9 ALA HB3 H 1 1.503 . . . . . . . A 9 ALA HB3 . 30214 1 99 . 1 . 1 9 9 ALA CA C 13 54.809 . . . . . . . A 9 ALA CA . 30214 1 100 . 1 . 1 9 9 ALA CB C 13 18.523 . . . . . . . A 9 ALA CB . 30214 1 101 . 1 . 1 9 9 ALA N N 15 124.634 . . . . . . . A 9 ALA N . 30214 1 102 . 1 . 1 10 10 ALA H H 1 8.461 . . . . . . . A 10 ALA H . 30214 1 103 . 1 . 1 10 10 ALA HA H 1 3.924 . . . . . . . A 10 ALA HA . 30214 1 104 . 1 . 1 10 10 ALA HB1 H 1 1.510 . . . . . . . A 10 ALA HB1 . 30214 1 105 . 1 . 1 10 10 ALA HB2 H 1 1.510 . . . . . . . A 10 ALA HB2 . 30214 1 106 . 1 . 1 10 10 ALA HB3 H 1 1.510 . . . . . . . A 10 ALA HB3 . 30214 1 107 . 1 . 1 10 10 ALA CA C 13 55.687 . . . . . . . A 10 ALA CA . 30214 1 108 . 1 . 1 10 10 ALA CB C 13 18.523 . . . . . . . A 10 ALA CB . 30214 1 109 . 1 . 1 10 10 ALA N N 15 120.004 . . . . . . . A 10 ALA N . 30214 1 110 . 1 . 1 11 11 LYS H H 1 8.126 . . . . . . . A 11 LYS H . 30214 1 111 . 1 . 1 11 11 LYS HA H 1 3.908 . . . . . . . A 11 LYS HA . 30214 1 112 . 1 . 1 11 11 LYS HB2 H 1 1.956 . . . . . . . A 11 LYS HB2 . 30214 1 113 . 1 . 1 11 11 LYS HG2 H 1 1.649 . . . . . . . A 11 LYS HG2 . 30214 1 114 . 1 . 1 11 11 LYS HG3 H 1 1.420 . . . . . . . A 11 LYS HG3 . 30214 1 115 . 1 . 1 11 11 LYS HD2 H 1 1.721 . . . . . . . A 11 LYS HD2 . 30214 1 116 . 1 . 1 11 11 LYS HE2 H 1 2.921 . . . . . . . A 11 LYS HE2 . 30214 1 117 . 1 . 1 11 11 LYS CA C 13 60.101 . . . . . . . A 11 LYS CA . 30214 1 118 . 1 . 1 11 11 LYS CB C 13 32.200 . . . . . . . A 11 LYS CB . 30214 1 119 . 1 . 1 11 11 LYS CG C 13 25.835 . . . . . . . A 11 LYS CG . 30214 1 120 . 1 . 1 11 11 LYS CD C 13 29.964 . . . . . . . A 11 LYS CD . 30214 1 121 . 1 . 1 11 11 LYS CE C 13 42.062 . . . . . . . A 11 LYS CE . 30214 1 122 . 1 . 1 11 11 LYS N N 15 117.122 . . . . . . . A 11 LYS N . 30214 1 123 . 1 . 1 12 12 ASP H H 1 8.081 . . . . . . . A 12 ASP H . 30214 1 124 . 1 . 1 12 12 ASP HA H 1 4.500 . . . . . . . A 12 ASP HA . 30214 1 125 . 1 . 1 12 12 ASP HB2 H 1 3.070 . . . . . . . A 12 ASP HB2 . 30214 1 126 . 1 . 1 12 12 ASP HB3 H 1 2.894 . . . . . . . A 12 ASP HB3 . 30214 1 127 . 1 . 1 12 12 ASP CA C 13 56.088 . . . . . . . A 12 ASP CA . 30214 1 128 . 1 . 1 12 12 ASP CB C 13 38.480 . . . . . . . A 12 ASP CB . 30214 1 129 . 1 . 1 12 12 ASP N N 15 119.655 . . . . . . . A 12 ASP N . 30214 1 130 . 1 . 1 13 13 ILE H H 1 8.559 . . . . . . . A 13 ILE H . 30214 1 131 . 1 . 1 13 13 ILE HA H 1 3.691 . . . . . . . A 13 ILE HA . 30214 1 132 . 1 . 1 13 13 ILE HB H 1 1.971 . . . . . . . A 13 ILE HB . 30214 1 133 . 1 . 1 13 13 ILE HG12 H 1 1.851 . . . . . . . A 13 ILE HG12 . 30214 1 134 . 1 . 1 13 13 ILE HG13 H 1 1.055 . . . . . . . A 13 ILE HG13 . 30214 1 135 . 1 . 1 13 13 ILE HG21 H 1 0.908 . . . . . . . A 13 ILE HG21 . 30214 1 136 . 1 . 1 13 13 ILE HG22 H 1 0.908 . . . . . . . A 13 ILE HG22 . 30214 1 137 . 1 . 1 13 13 ILE HG23 H 1 0.908 . . . . . . . A 13 ILE HG23 . 30214 1 138 . 1 . 1 13 13 ILE HD11 H 1 0.815 . . . . . . . A 13 ILE HD11 . 30214 1 139 . 1 . 1 13 13 ILE HD12 H 1 0.815 . . . . . . . A 13 ILE HD12 . 30214 1 140 . 1 . 1 13 13 ILE HD13 H 1 0.815 . . . . . . . A 13 ILE HD13 . 30214 1 141 . 1 . 1 13 13 ILE CA C 13 65.468 . . . . . . . A 13 ILE CA . 30214 1 142 . 1 . 1 13 13 ILE CB C 13 38.327 . . . . . . . A 13 ILE CB . 30214 1 143 . 1 . 1 13 13 ILE CG1 C 13 24.072 . . . . . . . A 13 ILE CG1 . 30214 1 144 . 1 . 1 13 13 ILE CG2 C 13 17.702 . . . . . . . A 13 ILE CG2 . 30214 1 145 . 1 . 1 13 13 ILE CD1 C 13 13.749 . . . . . . . A 13 ILE CD1 . 30214 1 146 . 1 . 1 13 13 ILE N N 15 120.680 . . . . . . . A 13 ILE N . 30214 1 147 . 1 . 1 14 14 ALA H H 1 8.582 . . . . . . . A 14 ALA H . 30214 1 148 . 1 . 1 14 14 ALA HA H 1 3.973 . . . . . . . A 14 ALA HA . 30214 1 149 . 1 . 1 14 14 ALA HB1 H 1 1.524 . . . . . . . A 14 ALA HB1 . 30214 1 150 . 1 . 1 14 14 ALA HB2 H 1 1.524 . . . . . . . A 14 ALA HB2 . 30214 1 151 . 1 . 1 14 14 ALA HB3 H 1 1.524 . . . . . . . A 14 ALA HB3 . 30214 1 152 . 1 . 1 14 14 ALA CA C 13 55.731 . . . . . . . A 14 ALA CA . 30214 1 153 . 1 . 1 14 14 ALA CB C 13 18.472 . . . . . . . A 14 ALA CB . 30214 1 154 . 1 . 1 14 14 ALA N N 15 121.968 . . . . . . . A 14 ALA N . 30214 1 155 . 1 . 1 15 15 GLY H H 1 8.274 . . . . . . . A 15 GLY H . 30214 1 156 . 1 . 1 15 15 GLY HA2 H 1 4.017 . . . . . . . A 15 GLY HA2 . 30214 1 157 . 1 . 1 15 15 GLY HA3 H 1 3.850 . . . . . . . A 15 GLY HA3 . 30214 1 158 . 1 . 1 15 15 GLY CA C 13 47.074 . . . . . . . A 15 GLY CA . 30214 1 159 . 1 . 1 15 15 GLY N N 15 104.022 . . . . . . . A 15 GLY N . 30214 1 160 . 1 . 1 16 16 HIS H H 1 7.925 . . . . . . . A 16 HIS H . 30214 1 161 . 1 . 1 16 16 HIS HA H 1 4.537 . . . . . . . A 16 HIS HA . 30214 1 162 . 1 . 1 16 16 HIS HB2 H 1 3.307 . . . . . . . A 16 HIS HB2 . 30214 1 163 . 1 . 1 16 16 HIS HB3 H 1 2.825 . . . . . . . A 16 HIS HB3 . 30214 1 164 . 1 . 1 16 16 HIS HD2 H 1 7.263 . . . . . . . A 16 HIS HD2 . 30214 1 165 . 1 . 1 16 16 HIS CA C 13 58.425 . . . . . . . A 16 HIS CA . 30214 1 166 . 1 . 1 16 16 HIS CB C 13 28.800 . . . . . . . A 16 HIS CB . 30214 1 167 . 1 . 1 16 16 HIS N N 15 118.795 . . . . . . . A 16 HIS N . 30214 1 168 . 1 . 1 17 17 LEU H H 1 8.258 . . . . . . . A 17 LEU H . 30214 1 169 . 1 . 1 17 17 LEU HA H 1 4.167 . . . . . . . A 17 LEU HA . 30214 1 170 . 1 . 1 17 17 LEU HB2 H 1 1.837 . . . . . . . A 17 LEU HB2 . 30214 1 171 . 1 . 1 17 17 LEU HB3 H 1 1.583 . . . . . . . A 17 LEU HB3 . 30214 1 172 . 1 . 1 17 17 LEU HD11 H 1 0.880 . . . . . . . A 17 LEU HD11 . 30214 1 173 . 1 . 1 17 17 LEU HD12 H 1 0.880 . . . . . . . A 17 LEU HD12 . 30214 1 174 . 1 . 1 17 17 LEU HD13 H 1 0.880 . . . . . . . A 17 LEU HD13 . 30214 1 175 . 1 . 1 17 17 LEU HD21 H 1 0.863 . . . . . . . A 17 LEU HD21 . 30214 1 176 . 1 . 1 17 17 LEU HD22 H 1 0.863 . . . . . . . A 17 LEU HD22 . 30214 1 177 . 1 . 1 17 17 LEU HD23 H 1 0.863 . . . . . . . A 17 LEU HD23 . 30214 1 178 . 1 . 1 17 17 LEU CA C 13 57.077 . . . . . . . A 17 LEU CA . 30214 1 179 . 1 . 1 17 17 LEU CB C 13 42.417 . . . . . . . A 17 LEU CB . 30214 1 180 . 1 . 1 17 17 LEU CD1 C 13 25.827 . . . . . . . A 17 LEU CD1 . 30214 1 181 . 1 . 1 17 17 LEU CD2 C 13 26.079 . . . . . . . A 17 LEU CD2 . 30214 1 182 . 1 . 1 17 17 LEU N N 15 119.351 . . . . . . . A 17 LEU N . 30214 1 183 . 1 . 1 18 18 ALA H H 1 8.383 . . . . . . . A 18 ALA H . 30214 1 184 . 1 . 1 18 18 ALA HA H 1 4.017 . . . . . . . A 18 ALA HA . 30214 1 185 . 1 . 1 18 18 ALA HB1 H 1 1.498 . . . . . . . A 18 ALA HB1 . 30214 1 186 . 1 . 1 18 18 ALA HB2 H 1 1.498 . . . . . . . A 18 ALA HB2 . 30214 1 187 . 1 . 1 18 18 ALA HB3 H 1 1.498 . . . . . . . A 18 ALA HB3 . 30214 1 188 . 1 . 1 18 18 ALA CA C 13 55.102 . . . . . . . A 18 ALA CA . 30214 1 189 . 1 . 1 18 18 ALA CB C 13 18.523 . . . . . . . A 18 ALA CB . 30214 1 190 . 1 . 1 18 18 ALA N N 15 121.147 . . . . . . . A 18 ALA N . 30214 1 191 . 1 . 1 19 19 SER H H 1 7.967 . . . . . . . A 19 SER H . 30214 1 192 . 1 . 1 19 19 SER HA H 1 4.210 . . . . . . . A 19 SER HA . 30214 1 193 . 1 . 1 19 19 SER HB2 H 1 3.931 . . . . . . . A 19 SER HB2 . 30214 1 194 . 1 . 1 19 19 SER CA C 13 60.731 . . . . . . . A 19 SER CA . 30214 1 195 . 1 . 1 19 19 SER CB C 13 63.054 . . . . . . . A 19 SER CB . 30214 1 196 . 1 . 1 19 19 SER N N 15 111.862 . . . . . . . A 19 SER N . 30214 1 197 . 1 . 1 20 20 LYS H H 1 7.812 . . . . . . . A 20 LYS H . 30214 1 198 . 1 . 1 20 20 LYS HA H 1 4.232 . . . . . . . A 20 LYS HA . 30214 1 199 . 1 . 1 20 20 LYS HB2 H 1 1.921 . . . . . . . A 20 LYS HB2 . 30214 1 200 . 1 . 1 20 20 LYS HG2 H 1 1.458 . . . . . . . A 20 LYS HG2 . 30214 1 201 . 1 . 1 20 20 LYS HD2 H 1 1.675 . . . . . . . A 20 LYS HD2 . 30214 1 202 . 1 . 1 20 20 LYS HE2 H 1 2.920 . . . . . . . A 20 LYS HE2 . 30214 1 203 . 1 . 1 20 20 LYS CA C 13 57.367 . . . . . . . A 20 LYS CA . 30214 1 204 . 1 . 1 20 20 LYS CB C 13 32.745 . . . . . . . A 20 LYS CB . 30214 1 205 . 1 . 1 20 20 LYS CG C 13 24.837 . . . . . . . A 20 LYS CG . 30214 1 206 . 1 . 1 20 20 LYS CD C 13 28.822 . . . . . . . A 20 LYS CD . 30214 1 207 . 1 . 1 20 20 LYS CE C 13 42.113 . . . . . . . A 20 LYS CE . 30214 1 208 . 1 . 1 20 20 LYS N N 15 120.730 . . . . . . . A 20 LYS N . 30214 1 209 . 1 . 1 21 21 VAL H H 1 7.858 . . . . . . . A 21 VAL H . 30214 1 210 . 1 . 1 21 21 VAL HA H 1 3.953 . . . . . . . A 21 VAL HA . 30214 1 211 . 1 . 1 21 21 VAL HB H 1 2.131 . . . . . . . A 21 VAL HB . 30214 1 212 . 1 . 1 21 21 VAL HG11 H 1 0.988 . . . . . . . A 21 VAL HG11 . 30214 1 213 . 1 . 1 21 21 VAL HG12 H 1 0.988 . . . . . . . A 21 VAL HG12 . 30214 1 214 . 1 . 1 21 21 VAL HG13 H 1 0.988 . . . . . . . A 21 VAL HG13 . 30214 1 215 . 1 . 1 21 21 VAL HG21 H 1 0.944 . . . . . . . A 21 VAL HG21 . 30214 1 216 . 1 . 1 21 21 VAL HG22 H 1 0.944 . . . . . . . A 21 VAL HG22 . 30214 1 217 . 1 . 1 21 21 VAL HG23 H 1 0.944 . . . . . . . A 21 VAL HG23 . 30214 1 218 . 1 . 1 21 21 VAL CA C 13 64.044 . . . . . . . A 21 VAL CA . 30214 1 219 . 1 . 1 21 21 VAL CB C 13 32.484 . . . . . . . A 21 VAL CB . 30214 1 220 . 1 . 1 21 21 VAL CG1 C 13 21.844 . . . . . . . A 21 VAL CG1 . 30214 1 221 . 1 . 1 21 21 VAL CG2 C 13 21.844 . . . . . . . A 21 VAL CG2 . 30214 1 222 . 1 . 1 21 21 VAL N N 15 115.791 . . . . . . . A 21 VAL N . 30214 1 223 . 1 . 1 22 22 MET H H 1 7.997 . . . . . . . A 22 MET H . 30214 1 224 . 1 . 1 22 22 MET HA H 1 4.381 . . . . . . . A 22 MET HA . 30214 1 225 . 1 . 1 22 22 MET HB2 H 1 2.144 . . . . . . . A 22 MET HB2 . 30214 1 226 . 1 . 1 22 22 MET HB3 H 1 2.037 . . . . . . . A 22 MET HB3 . 30214 1 227 . 1 . 1 22 22 MET HG2 H 1 2.641 . . . . . . . A 22 MET HG2 . 30214 1 228 . 1 . 1 22 22 MET HG3 H 1 2.538 . . . . . . . A 22 MET HG3 . 30214 1 229 . 1 . 1 22 22 MET CA C 13 55.721 . . . . . . . A 22 MET CA . 30214 1 230 . 1 . 1 22 22 MET CB C 13 33.148 . . . . . . . A 22 MET CB . 30214 1 231 . 1 . 1 22 22 MET CG C 13 32.565 . . . . . . . A 22 MET CG . 30214 1 232 . 1 . 1 22 22 MET N N 15 118.135 . . . . . . . A 22 MET N . 30214 1 stop_ save_