################################### # 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 34418 _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' . . . 34418 1 2 '2D 1H-1H NOESY' . . . 34418 1 3 '2D 1H-15N HSQC' . . . 34418 1 4 '2D 1H-13C HSQC' . . . 34418 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 GLN HA H 1 4.094 0.000 . 1 . . . . A 1 GLN HA . 34418 1 2 . 1 . 1 1 1 GLN HB2 H 1 2.155 0.000 . 1 . . . . A 1 GLN HB2 . 34418 1 3 . 1 . 1 1 1 GLN HB3 H 1 2.155 0.000 . 1 . . . . A 1 GLN HB3 . 34418 1 4 . 1 . 1 1 1 GLN HG2 H 1 2.443 0.000 . 1 . . . . A 1 GLN HG2 . 34418 1 5 . 1 . 1 1 1 GLN HG3 H 1 2.443 0.000 . 1 . . . . A 1 GLN HG3 . 34418 1 6 . 1 . 1 1 1 GLN HE21 H 1 6.905 0.000 . 1 . . . . A 1 GLN HE21 . 34418 1 7 . 1 . 1 1 1 GLN HE22 H 1 7.611 0.000 . 1 . . . . A 1 GLN HE22 . 34418 1 8 . 1 . 1 2 2 MET H H 1 8.871 0.000 . 1 . . . . A 2 MET H . 34418 1 9 . 1 . 1 2 2 MET HA H 1 4.447 0.000 . 1 . . . . A 2 MET HA . 34418 1 10 . 1 . 1 2 2 MET HB2 H 1 2.012 0.000 . 1 . . . . A 2 MET HB2 . 34418 1 11 . 1 . 1 2 2 MET HB3 H 1 2.012 0.000 . 1 . . . . A 2 MET HB3 . 34418 1 12 . 1 . 1 2 2 MET HG2 H 1 2.524 0.000 . 1 . . . . A 2 MET HG2 . 34418 1 13 . 1 . 1 2 2 MET HG3 H 1 2.524 0.000 . 1 . . . . A 2 MET HG3 . 34418 1 14 . 1 . 1 3 3 ASP H H 1 8.630 0.000 . 1 . . . . A 3 ASP H . 34418 1 15 . 1 . 1 3 3 ASP HA H 1 4.593 0.000 . 1 . . . . A 3 ASP HA . 34418 1 16 . 1 . 1 3 3 ASP HB2 H 1 2.819 0.000 . 1 . . . . A 3 ASP HB2 . 34418 1 17 . 1 . 1 3 3 ASP HB3 H 1 2.697 0.000 . 1 . . . . A 3 ASP HB3 . 34418 1 18 . 1 . 1 4 4 MET H H 1 8.737 0.000 . 1 . . . . A 4 MET H . 34418 1 19 . 1 . 1 4 4 MET HA H 1 4.608 0.000 . 1 . . . . A 4 MET HA . 34418 1 20 . 1 . 1 4 4 MET HB2 H 1 2.243 0.000 . 1 . . . . A 4 MET HB2 . 34418 1 21 . 1 . 1 4 4 MET HB3 H 1 1.986 0.000 . 1 . . . . A 4 MET HB3 . 34418 1 22 . 1 . 1 4 4 MET HG2 H 1 2.535 0.000 . 1 . . . . A 4 MET HG2 . 34418 1 23 . 1 . 1 4 4 MET HG3 H 1 2.700 0.000 . 1 . . . . A 4 MET HG3 . 34418 1 24 . 1 . 1 4 4 MET HE1 H 1 1.969 0.000 . 1 . . . . A 4 MET HE1 . 34418 1 25 . 1 . 1 4 4 MET HE2 H 1 1.969 0.000 . 1 . . . . A 4 MET HE2 . 34418 1 26 . 1 . 1 4 4 MET HE3 H 1 1.969 0.000 . 1 . . . . A 4 MET HE3 . 34418 1 27 . 1 . 1 4 4 MET CE C 13 15.120 0.000 . 1 . . . . A 4 MET CE . 34418 1 28 . 1 . 1 5 5 ARG H H 1 7.995 0.000 . 1 . . . . A 5 ARG H . 34418 1 29 . 1 . 1 5 5 ARG HA H 1 4.591 0.000 . 1 . . . . A 5 ARG HA . 34418 1 30 . 1 . 1 5 5 ARG HB2 H 1 1.916 0.000 . 1 . . . . A 5 ARG HB2 . 34418 1 31 . 1 . 1 5 5 ARG HB3 H 1 1.851 0.000 . 1 . . . . A 5 ARG HB3 . 34418 1 32 . 1 . 1 5 5 ARG HG2 H 1 1.746 0.000 . 1 . . . . A 5 ARG HG2 . 34418 1 33 . 1 . 1 5 5 ARG HG3 H 1 1.746 0.000 . 1 . . . . A 5 ARG HG3 . 34418 1 34 . 1 . 1 5 5 ARG HD2 H 1 3.262 0.000 . 1 . . . . A 5 ARG HD2 . 34418 1 35 . 1 . 1 5 5 ARG HD3 H 1 3.194 0.000 . 1 . . . . A 5 ARG HD3 . 34418 1 36 . 1 . 1 5 5 ARG HE H 1 7.713 0.000 . 1 . . . . A 5 ARG HE . 34418 1 37 . 1 . 1 6 6 CYS H H 1 7.905 0.000 . 1 . . . . A 6 CYS H . 34418 1 38 . 1 . 1 6 6 CYS HA H 1 4.882 0.000 . 1 . . . . A 6 CYS HA . 34418 1 39 . 1 . 1 6 6 CYS HB2 H 1 3.004 0.000 . 1 . . . . A 6 CYS HB2 . 34418 1 40 . 1 . 1 6 6 CYS HB3 H 1 3.003 0.000 . 1 . . . . A 6 CYS HB3 . 34418 1 41 . 1 . 1 7 7 SER H H 1 9.620 0.000 . 1 . . . . A 7 SER H . 34418 1 42 . 1 . 1 7 7 SER HA H 1 4.610 0.000 . 1 . . . . A 7 SER HA . 34418 1 43 . 1 . 1 7 7 SER HB2 H 1 3.901 0.000 . 1 . . . . A 7 SER HB2 . 34418 1 44 . 1 . 1 7 7 SER HB3 H 1 3.852 0.000 . 1 . . . . A 7 SER HB3 . 34418 1 45 . 1 . 1 8 8 ALA H H 1 8.163 0.000 . 1 . . . . A 8 ALA H . 34418 1 46 . 1 . 1 8 8 ALA HA H 1 4.770 0.000 . 1 . . . . A 8 ALA HA . 34418 1 47 . 1 . 1 8 8 ALA HB1 H 1 1.562 0.000 . 1 . . . . A 8 ALA HB1 . 34418 1 48 . 1 . 1 8 8 ALA HB2 H 1 1.562 0.000 . 1 . . . . A 8 ALA HB2 . 34418 1 49 . 1 . 1 8 8 ALA HB3 H 1 1.562 0.000 . 1 . . . . A 8 ALA HB3 . 34418 1 50 . 1 . 1 9 9 SER H H 1 9.228 0.000 . 1 . . . . A 9 SER H . 34418 1 51 . 1 . 1 9 9 SER HA H 1 4.772 0.000 . 1 . . . . A 9 SER HA . 34418 1 52 . 1 . 1 9 9 SER HB2 H 1 4.069 0.000 . 1 . . . . A 9 SER HB2 . 34418 1 53 . 1 . 1 9 9 SER HB3 H 1 4.069 0.000 . 1 . . . . A 9 SER HB3 . 34418 1 54 . 1 . 1 10 10 VAL H H 1 8.489 0.000 . 1 . . . . A 10 VAL H . 34418 1 55 . 1 . 1 10 10 VAL HA H 1 3.965 0.000 . 1 . . . . A 10 VAL HA . 34418 1 56 . 1 . 1 10 10 VAL HB H 1 2.206 0.000 . 1 . . . . A 10 VAL HB . 34418 1 57 . 1 . 1 10 10 VAL HG11 H 1 1.000 0.000 . 1 . . . . A 10 VAL HG11 . 34418 1 58 . 1 . 1 10 10 VAL HG12 H 1 1.000 0.000 . 1 . . . . A 10 VAL HG12 . 34418 1 59 . 1 . 1 10 10 VAL HG13 H 1 1.000 0.000 . 1 . . . . A 10 VAL HG13 . 34418 1 60 . 1 . 1 10 10 VAL HG21 H 1 1.047 0.000 . 1 . . . . A 10 VAL HG21 . 34418 1 61 . 1 . 1 10 10 VAL HG22 H 1 1.047 0.000 . 1 . . . . A 10 VAL HG22 . 34418 1 62 . 1 . 1 10 10 VAL HG23 H 1 1.047 0.000 . 1 . . . . A 10 VAL HG23 . 34418 1 63 . 1 . 1 11 11 GLU H H 1 7.496 0.000 . 1 . . . . A 11 GLU H . 34418 1 64 . 1 . 1 11 11 GLU HA H 1 4.254 0.000 . 1 . . . . A 11 GLU HA . 34418 1 65 . 1 . 1 11 11 GLU HB2 H 1 2.317 0.000 . 1 . . . . A 11 GLU HB2 . 34418 1 66 . 1 . 1 11 11 GLU HB3 H 1 2.200 0.000 . 1 . . . . A 11 GLU HB3 . 34418 1 67 . 1 . 1 11 11 GLU HG2 H 1 2.475 0.000 . 1 . . . . A 11 GLU HG2 . 34418 1 68 . 1 . 1 11 11 GLU HG3 H 1 2.268 0.000 . 1 . . . . A 11 GLU HG3 . 34418 1 69 . 1 . 1 12 12 CYS H H 1 7.615 0.000 . 1 . . . . A 12 CYS H . 34418 1 70 . 1 . 1 12 12 CYS HA H 1 4.573 0.000 . 1 . . . . A 12 CYS HA . 34418 1 71 . 1 . 1 12 12 CYS HB2 H 1 2.611 0.000 . 1 . . . . A 12 CYS HB2 . 34418 1 72 . 1 . 1 12 12 CYS HB3 H 1 2.891 0.000 . 1 . . . . A 12 CYS HB3 . 34418 1 73 . 1 . 1 13 13 LYS H H 1 7.806 0.000 . 1 . . . . A 13 LYS H . 34418 1 74 . 1 . 1 13 13 LYS HA H 1 3.990 0.000 . 1 . . . . A 13 LYS HA . 34418 1 75 . 1 . 1 13 13 LYS HB2 H 1 1.961 0.000 . 1 . . . . A 13 LYS HB2 . 34418 1 76 . 1 . 1 13 13 LYS HB3 H 1 1.961 0.000 . 1 . . . . A 13 LYS HB3 . 34418 1 77 . 1 . 1 13 13 LYS HG2 H 1 1.428 0.000 . 1 . . . . A 13 LYS HG2 . 34418 1 78 . 1 . 1 13 13 LYS HG3 H 1 1.550 0.000 . 1 . . . . A 13 LYS HG3 . 34418 1 79 . 1 . 1 13 13 LYS HD2 H 1 1.699 0.000 . 1 . . . . A 13 LYS HD2 . 34418 1 80 . 1 . 1 13 13 LYS HD3 H 1 1.698 0.000 . 1 . . . . A 13 LYS HD3 . 34418 1 81 . 1 . 1 13 13 LYS HE2 H 1 2.981 0.000 . 1 . . . . A 13 LYS HE2 . 34418 1 82 . 1 . 1 13 13 LYS HE3 H 1 2.981 0.000 . 1 . . . . A 13 LYS HE3 . 34418 1 83 . 1 . 1 14 14 GLN H H 1 7.908 0.000 . 1 . . . . A 14 GLN H . 34418 1 84 . 1 . 1 14 14 GLN HA H 1 4.169 0.000 . 1 . . . . A 14 GLN HA . 34418 1 85 . 1 . 1 14 14 GLN HB2 H 1 2.136 0.000 . 1 . . . . A 14 GLN HB2 . 34418 1 86 . 1 . 1 14 14 GLN HB3 H 1 2.136 0.000 . 1 . . . . A 14 GLN HB3 . 34418 1 87 . 1 . 1 14 14 GLN HG2 H 1 2.477 0.000 . 1 . . . . A 14 GLN HG2 . 34418 1 88 . 1 . 1 14 14 GLN HG3 H 1 2.413 0.000 . 1 . . . . A 14 GLN HG3 . 34418 1 89 . 1 . 1 14 14 GLN HE21 H 1 7.486 0.000 . 1 . . . . A 14 GLN HE21 . 34418 1 90 . 1 . 1 14 14 GLN HE22 H 1 6.842 0.000 . 1 . . . . A 14 GLN HE22 . 34418 1 91 . 1 . 1 15 15 LYS H H 1 7.547 0.000 . 1 . . . . A 15 LYS H . 34418 1 92 . 1 . 1 15 15 LYS HA H 1 4.061 0.000 . 1 . . . . A 15 LYS HA . 34418 1 93 . 1 . 1 15 15 LYS HB2 H 1 1.842 0.000 . 1 . . . . A 15 LYS HB2 . 34418 1 94 . 1 . 1 15 15 LYS HB3 H 1 1.960 0.000 . 1 . . . . A 15 LYS HB3 . 34418 1 95 . 1 . 1 15 15 LYS HG2 H 1 1.550 0.000 . 1 . . . . A 15 LYS HG2 . 34418 1 96 . 1 . 1 15 15 LYS HG3 H 1 1.490 0.000 . 1 . . . . A 15 LYS HG3 . 34418 1 97 . 1 . 1 15 15 LYS HD2 H 1 1.712 0.000 . 1 . . . . A 15 LYS HD2 . 34418 1 98 . 1 . 1 15 15 LYS HD3 H 1 1.710 0.000 . 1 . . . . A 15 LYS HD3 . 34418 1 99 . 1 . 1 15 15 LYS HE2 H 1 2.988 0.000 . 1 . . . . A 15 LYS HE2 . 34418 1 100 . 1 . 1 15 15 LYS HE3 H 1 2.988 0.000 . 1 . . . . A 15 LYS HE3 . 34418 1 101 . 1 . 1 16 16 CYS H H 1 8.519 0.000 . 1 . . . . A 16 CYS H . 34418 1 102 . 1 . 1 16 16 CYS HA H 1 4.542 0.000 . 1 . . . . A 16 CYS HA . 34418 1 103 . 1 . 1 16 16 CYS HB2 H 1 2.875 0.000 . 1 . . . . A 16 CYS HB2 . 34418 1 104 . 1 . 1 16 16 CYS HB3 H 1 3.242 0.000 . 1 . . . . A 16 CYS HB3 . 34418 1 105 . 1 . 1 17 17 LEU H H 1 7.547 0.000 . 1 . . . . A 17 LEU H . 34418 1 106 . 1 . 1 17 17 LEU HA H 1 4.061 0.000 . 1 . . . . A 17 LEU HA . 34418 1 107 . 1 . 1 17 17 LEU HB2 H 1 1.768 0.000 . 1 . . . . A 17 LEU HB2 . 34418 1 108 . 1 . 1 17 17 LEU HB3 H 1 1.722 0.000 . 1 . . . . A 17 LEU HB3 . 34418 1 109 . 1 . 1 17 17 LEU HG H 1 1.545 0.000 . 1 . . . . A 17 LEU HG . 34418 1 110 . 1 . 1 17 17 LEU HD11 H 1 0.744 0.000 . 1 . . . . A 17 LEU HD11 . 34418 1 111 . 1 . 1 17 17 LEU HD12 H 1 0.744 0.000 . 1 . . . . A 17 LEU HD12 . 34418 1 112 . 1 . 1 17 17 LEU HD13 H 1 0.744 0.000 . 1 . . . . A 17 LEU HD13 . 34418 1 113 . 1 . 1 17 17 LEU HD21 H 1 0.826 0.000 . 1 . . . . A 17 LEU HD21 . 34418 1 114 . 1 . 1 17 17 LEU HD22 H 1 0.826 0.000 . 1 . . . . A 17 LEU HD22 . 34418 1 115 . 1 . 1 17 17 LEU HD23 H 1 0.826 0.000 . 1 . . . . A 17 LEU HD23 . 34418 1 116 . 1 . 1 18 18 LYS H H 1 7.818 0.000 . 1 . . . . A 18 LYS H . 34418 1 117 . 1 . 1 18 18 LYS HA H 1 4.057 0.000 . 1 . . . . A 18 LYS HA . 34418 1 118 . 1 . 1 18 18 LYS HB2 H 1 1.879 0.000 . 1 . . . . A 18 LYS HB2 . 34418 1 119 . 1 . 1 18 18 LYS HB3 H 1 1.879 0.000 . 1 . . . . A 18 LYS HB3 . 34418 1 120 . 1 . 1 18 18 LYS HG2 H 1 1.542 0.000 . 1 . . . . A 18 LYS HG2 . 34418 1 121 . 1 . 1 18 18 LYS HG3 H 1 1.479 0.000 . 1 . . . . A 18 LYS HG3 . 34418 1 122 . 1 . 1 18 18 LYS HD2 H 1 1.679 0.000 . 1 . . . . A 18 LYS HD2 . 34418 1 123 . 1 . 1 18 18 LYS HD3 H 1 1.679 0.000 . 1 . . . . A 18 LYS HD3 . 34418 1 124 . 1 . 1 18 18 LYS HE2 H 1 2.987 0.000 . 1 . . . . A 18 LYS HE2 . 34418 1 125 . 1 . 1 18 18 LYS HE3 H 1 2.986 0.000 . 1 . . . . A 18 LYS HE3 . 34418 1 126 . 1 . 1 19 19 ALA H H 1 8.288 0.000 . 1 . . . . A 19 ALA H . 34418 1 127 . 1 . 1 19 19 ALA HA H 1 4.252 0.000 . 1 . . . . A 19 ALA HA . 34418 1 128 . 1 . 1 19 19 ALA HB1 H 1 1.550 0.000 . 1 . . . . A 19 ALA HB1 . 34418 1 129 . 1 . 1 19 19 ALA HB2 H 1 1.550 0.000 . 1 . . . . A 19 ALA HB2 . 34418 1 130 . 1 . 1 19 19 ALA HB3 H 1 1.550 0.000 . 1 . . . . A 19 ALA HB3 . 34418 1 131 . 1 . 1 20 20 ILE H H 1 7.697 0.000 . 1 . . . . A 20 ILE H . 34418 1 132 . 1 . 1 20 20 ILE HA H 1 4.732 0.000 . 1 . . . . A 20 ILE HA . 34418 1 133 . 1 . 1 20 20 ILE HB H 1 2.144 0.000 . 1 . . . . A 20 ILE HB . 34418 1 134 . 1 . 1 20 20 ILE HG12 H 1 1.214 0.000 . 1 . . . . A 20 ILE HG12 . 34418 1 135 . 1 . 1 20 20 ILE HG13 H 1 1.302 0.000 . 1 . . . . A 20 ILE HG13 . 34418 1 136 . 1 . 1 20 20 ILE HG21 H 1 0.921 0.000 . 1 . . . . A 20 ILE HG21 . 34418 1 137 . 1 . 1 20 20 ILE HG22 H 1 0.921 0.000 . 1 . . . . A 20 ILE HG22 . 34418 1 138 . 1 . 1 20 20 ILE HG23 H 1 0.921 0.000 . 1 . . . . A 20 ILE HG23 . 34418 1 139 . 1 . 1 20 20 ILE HD11 H 1 0.915 0.000 . 1 . . . . A 20 ILE HD11 . 34418 1 140 . 1 . 1 20 20 ILE HD12 H 1 0.915 0.000 . 1 . . . . A 20 ILE HD12 . 34418 1 141 . 1 . 1 20 20 ILE HD13 H 1 0.915 0.000 . 1 . . . . A 20 ILE HD13 . 34418 1 142 . 1 . 1 21 21 GLY H H 1 7.972 0.000 . 1 . . . . A 21 GLY H . 34418 1 143 . 1 . 1 21 21 GLY HA2 H 1 4.199 0.000 . 1 . . . . A 21 GLY HA2 . 34418 1 144 . 1 . 1 21 21 GLY HA3 H 1 4.029 0.000 . 1 . . . . A 21 GLY HA3 . 34418 1 145 . 1 . 1 22 22 SER H H 1 7.168 0.000 . 1 . . . . A 22 SER H . 34418 1 146 . 1 . 1 22 22 SER HA H 1 4.755 0.000 . 1 . . . . A 22 SER HA . 34418 1 147 . 1 . 1 22 22 SER HB2 H 1 3.904 0.000 . 1 . . . . A 22 SER HB2 . 34418 1 148 . 1 . 1 22 22 SER HB3 H 1 3.505 0.000 . 1 . . . . A 22 SER HB3 . 34418 1 149 . 1 . 1 23 23 ILE H H 1 7.805 0.000 . 1 . . . . A 23 ILE H . 34418 1 150 . 1 . 1 23 23 ILE HA H 1 4.363 0.000 . 1 . . . . A 23 ILE HA . 34418 1 151 . 1 . 1 23 23 ILE HB H 1 1.861 0.000 . 1 . . . . A 23 ILE HB . 34418 1 152 . 1 . 1 23 23 ILE HG12 H 1 0.340 0.000 . 1 . . . . A 23 ILE HG12 . 34418 1 153 . 1 . 1 23 23 ILE HG13 H 1 0.786 0.000 . 1 . . . . A 23 ILE HG13 . 34418 1 154 . 1 . 1 23 23 ILE HG21 H 1 0.738 0.000 . 1 . . . . A 23 ILE HG21 . 34418 1 155 . 1 . 1 23 23 ILE HG22 H 1 0.738 0.000 . 1 . . . . A 23 ILE HG22 . 34418 1 156 . 1 . 1 23 23 ILE HG23 H 1 0.738 0.000 . 1 . . . . A 23 ILE HG23 . 34418 1 157 . 1 . 1 23 23 ILE HD11 H 1 0.644 0.000 . 1 . . . . A 23 ILE HD11 . 34418 1 158 . 1 . 1 23 23 ILE HD12 H 1 0.644 0.000 . 1 . . . . A 23 ILE HD12 . 34418 1 159 . 1 . 1 23 23 ILE HD13 H 1 0.644 0.000 . 1 . . . . A 23 ILE HD13 . 34418 1 160 . 1 . 1 24 24 PHE H H 1 7.932 0.000 . 1 . . . . A 24 PHE H . 34418 1 161 . 1 . 1 24 24 PHE HA H 1 4.749 0.000 . 1 . . . . A 24 PHE HA . 34418 1 162 . 1 . 1 24 24 PHE HB2 H 1 2.706 0.000 . 1 . . . . A 24 PHE HB2 . 34418 1 163 . 1 . 1 24 24 PHE HB3 H 1 3.319 0.000 . 1 . . . . A 24 PHE HB3 . 34418 1 164 . 1 . 1 24 24 PHE HD1 H 1 7.255 0.000 . 1 . . . . A 24 PHE HD1 . 34418 1 165 . 1 . 1 24 24 PHE HD2 H 1 7.255 0.000 . 1 . . . . A 24 PHE HD2 . 34418 1 166 . 1 . 1 24 24 PHE HE1 H 1 7.339 0.000 . 1 . . . . A 24 PHE HE1 . 34418 1 167 . 1 . 1 24 24 PHE HE2 H 1 7.339 0.000 . 1 . . . . A 24 PHE HE2 . 34418 1 168 . 1 . 1 24 24 PHE HZ H 1 7.284 0.000 . 1 . . . . A 24 PHE HZ . 34418 1 169 . 1 . 1 25 25 GLY H H 1 8.132 0.000 . 1 . . . . A 25 GLY H . 34418 1 170 . 1 . 1 25 25 GLY HA2 H 1 3.399 0.000 . 1 . . . . A 25 GLY HA2 . 34418 1 171 . 1 . 1 25 25 GLY HA3 H 1 4.543 0.000 . 1 . . . . A 25 GLY HA3 . 34418 1 172 . 1 . 1 26 26 LYS H H 1 8.327 0.000 . 1 . . . . A 26 LYS H . 34418 1 173 . 1 . 1 26 26 LYS HA H 1 4.552 0.000 . 1 . . . . A 26 LYS HA . 34418 1 174 . 1 . 1 26 26 LYS HB2 H 1 1.779 0.000 . 1 . . . . A 26 LYS HB2 . 34418 1 175 . 1 . 1 26 26 LYS HB3 H 1 1.779 0.000 . 1 . . . . A 26 LYS HB3 . 34418 1 176 . 1 . 1 26 26 LYS HG2 H 1 1.391 0.000 . 1 . . . . A 26 LYS HG2 . 34418 1 177 . 1 . 1 26 26 LYS HG3 H 1 1.391 0.000 . 1 . . . . A 26 LYS HG3 . 34418 1 178 . 1 . 1 26 26 LYS HD2 H 1 1.693 0.000 . 1 . . . . A 26 LYS HD2 . 34418 1 179 . 1 . 1 26 26 LYS HD3 H 1 1.694 0.000 . 1 . . . . A 26 LYS HD3 . 34418 1 180 . 1 . 1 26 26 LYS HE2 H 1 2.987 0.000 . 1 . . . . A 26 LYS HE2 . 34418 1 181 . 1 . 1 26 26 LYS HE3 H 1 2.987 0.000 . 1 . . . . A 26 LYS HE3 . 34418 1 182 . 1 . 1 27 27 CYS H H 1 8.894 0.000 . 1 . . . . A 27 CYS H . 34418 1 183 . 1 . 1 27 27 CYS HA H 1 4.782 0.000 . 1 . . . . A 27 CYS HA . 34418 1 184 . 1 . 1 27 27 CYS HB2 H 1 2.529 0.000 . 1 . . . . A 27 CYS HB2 . 34418 1 185 . 1 . 1 27 27 CYS HB3 H 1 2.805 0.000 . 1 . . . . A 27 CYS HB3 . 34418 1 186 . 1 . 1 28 28 MET H H 1 8.840 0.000 . 1 . . . . A 28 MET H . 34418 1 187 . 1 . 1 28 28 MET HA H 1 4.759 0.000 . 1 . . . . A 28 MET HA . 34418 1 188 . 1 . 1 28 28 MET HB2 H 1 1.870 0.000 . 1 . . . . A 28 MET HB2 . 34418 1 189 . 1 . 1 28 28 MET HB3 H 1 2.068 0.000 . 1 . . . . A 28 MET HB3 . 34418 1 190 . 1 . 1 28 28 MET HG2 H 1 2.408 0.000 . 1 . . . . A 28 MET HG2 . 34418 1 191 . 1 . 1 28 28 MET HG3 H 1 2.452 0.000 . 1 . . . . A 28 MET HG3 . 34418 1 192 . 1 . 1 29 29 ASN H H 1 9.358 0.000 . 1 . . . . A 29 ASN H . 34418 1 193 . 1 . 1 29 29 ASN HA H 1 4.313 0.000 . 1 . . . . A 29 ASN HA . 34418 1 194 . 1 . 1 29 29 ASN HB2 H 1 2.712 0.000 . 1 . . . . A 29 ASN HB2 . 34418 1 195 . 1 . 1 29 29 ASN HB3 H 1 2.997 0.000 . 1 . . . . A 29 ASN HB3 . 34418 1 196 . 1 . 1 29 29 ASN HD21 H 1 6.904 0.000 . 1 . . . . A 29 ASN HD21 . 34418 1 197 . 1 . 1 29 29 ASN HD22 H 1 7.607 0.000 . 1 . . . . A 29 ASN HD22 . 34418 1 198 . 1 . 1 30 30 LYS H H 1 8.392 0.000 . 1 . . . . A 30 LYS H . 34418 1 199 . 1 . 1 30 30 LYS HA H 1 3.976 0.000 . 1 . . . . A 30 LYS HA . 34418 1 200 . 1 . 1 30 30 LYS HB2 H 1 2.151 0.000 . 1 . . . . A 30 LYS HB2 . 34418 1 201 . 1 . 1 30 30 LYS HB3 H 1 2.232 0.000 . 1 . . . . A 30 LYS HB3 . 34418 1 202 . 1 . 1 30 30 LYS HG2 H 1 1.364 0.000 . 1 . . . . A 30 LYS HG2 . 34418 1 203 . 1 . 1 30 30 LYS HG3 H 1 1.364 0.000 . 1 . . . . A 30 LYS HG3 . 34418 1 204 . 1 . 1 30 30 LYS HD2 H 1 1.676 0.000 . 1 . . . . A 30 LYS HD2 . 34418 1 205 . 1 . 1 30 30 LYS HD3 H 1 1.736 0.000 . 1 . . . . A 30 LYS HD3 . 34418 1 206 . 1 . 1 30 30 LYS HE2 H 1 3.004 0.000 . 1 . . . . A 30 LYS HE2 . 34418 1 207 . 1 . 1 30 30 LYS HE3 H 1 3.005 0.000 . 1 . . . . A 30 LYS HE3 . 34418 1 208 . 1 . 1 31 31 LYS H H 1 7.700 0.000 . 1 . . . . A 31 LYS H . 34418 1 209 . 1 . 1 31 31 LYS HA H 1 5.005 0.000 . 1 . . . . A 31 LYS HA . 34418 1 210 . 1 . 1 31 31 LYS HB2 H 1 1.641 0.000 . 1 . . . . A 31 LYS HB2 . 34418 1 211 . 1 . 1 31 31 LYS HB3 H 1 1.646 0.000 . 1 . . . . A 31 LYS HB3 . 34418 1 212 . 1 . 1 31 31 LYS HG2 H 1 1.394 0.000 . 1 . . . . A 31 LYS HG2 . 34418 1 213 . 1 . 1 31 31 LYS HG3 H 1 1.394 0.000 . 1 . . . . A 31 LYS HG3 . 34418 1 214 . 1 . 1 31 31 LYS HD2 H 1 1.704 0.000 . 1 . . . . A 31 LYS HD2 . 34418 1 215 . 1 . 1 31 31 LYS HD3 H 1 1.707 0.000 . 1 . . . . A 31 LYS HD3 . 34418 1 216 . 1 . 1 31 31 LYS HE2 H 1 3.002 0.000 . 1 . . . . A 31 LYS HE2 . 34418 1 217 . 1 . 1 31 31 LYS HE3 H 1 3.002 0.000 . 1 . . . . A 31 LYS HE3 . 34418 1 218 . 1 . 1 32 32 CYS H H 1 9.092 0.000 . 1 . . . . A 32 CYS H . 34418 1 219 . 1 . 1 32 32 CYS HA H 1 5.004 0.000 . 1 . . . . A 32 CYS HA . 34418 1 220 . 1 . 1 32 32 CYS HB2 H 1 2.699 0.000 . 1 . . . . A 32 CYS HB2 . 34418 1 221 . 1 . 1 32 32 CYS HB3 H 1 2.797 0.000 . 1 . . . . A 32 CYS HB3 . 34418 1 222 . 1 . 1 33 33 LYS H H 1 9.403 0.000 . 1 . . . . A 33 LYS H . 34418 1 223 . 1 . 1 33 33 LYS HA H 1 4.573 0.000 . 1 . . . . A 33 LYS HA . 34418 1 224 . 1 . 1 33 33 LYS HB2 H 1 1.767 0.000 . 1 . . . . A 33 LYS HB2 . 34418 1 225 . 1 . 1 33 33 LYS HB3 H 1 1.928 0.000 . 1 . . . . A 33 LYS HB3 . 34418 1 226 . 1 . 1 33 33 LYS HG2 H 1 1.499 0.000 . 1 . . . . A 33 LYS HG2 . 34418 1 227 . 1 . 1 33 33 LYS HG3 H 1 1.499 0.000 . 1 . . . . A 33 LYS HG3 . 34418 1 228 . 1 . 1 33 33 LYS HD2 H 1 1.688 0.000 . 1 . . . . A 33 LYS HD2 . 34418 1 229 . 1 . 1 33 33 LYS HD3 H 1 1.758 0.000 . 1 . . . . A 33 LYS HD3 . 34418 1 230 . 1 . 1 33 33 LYS HE2 H 1 3.003 0.000 . 1 . . . . A 33 LYS HE2 . 34418 1 231 . 1 . 1 33 33 LYS HE3 H 1 3.001 0.000 . 1 . . . . A 33 LYS HE3 . 34418 1 232 . 1 . 1 34 34 CYS H H 1 8.443 0.000 . 1 . . . . A 34 CYS H . 34418 1 233 . 1 . 1 34 34 CYS HA H 1 4.760 0.000 . 1 . . . . A 34 CYS HA . 34418 1 234 . 1 . 1 34 34 CYS HB2 H 1 2.702 0.000 . 1 . . . . A 34 CYS HB2 . 34418 1 235 . 1 . 1 34 34 CYS HB3 H 1 3.273 0.000 . 1 . . . . A 34 CYS HB3 . 34418 1 stop_ save_