################################### # 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 50956 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name 'Side-chain 1H, 13C, 15N chemical shifts of lysine residues in D+PHS/V66K SNase selectively labeled with SAIL lysine' _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 0.01 _Assigned_chem_shift_list.Chem_shift_13C_err 0.1 _Assigned_chem_shift_list.Chem_shift_15N_err 0.2 _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 '3D HCCH-TOCSY' . . . 50956 1 2 '2D HE(CE)NZ' . . . 50956 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $software_1 . . 50956 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 26 26 LYS HA H 1 4.39 0.02 . 1 . . . . . 5 LYS HA . 50956 1 2 . 1 . 1 26 26 LYS HB3 H 1 1.83 0.02 . 1 . . . . . 5 LYS HB3 . 50956 1 3 . 1 . 1 26 26 LYS HG3 H 1 1.45 0.02 . 1 . . . . . 5 LYS HG3 . 50956 1 4 . 1 . 1 26 26 LYS HD3 H 1 1.70 0.02 . 1 . . . . . 5 LYS HD3 . 50956 1 5 . 1 . 1 26 26 LYS HE2 H 1 3.02 0.02 . 1 . . . . . 5 LYS HE2 . 50956 1 6 . 1 . 1 26 26 LYS CA C 13 56.2 0.2 . 1 . . . . . 5 LYS CA . 50956 1 7 . 1 . 1 26 26 LYS CB C 13 32.6 0.2 . 1 . . . . . 5 LYS CB . 50956 1 8 . 1 . 1 26 26 LYS CG C 13 23.9 0.2 . 1 . . . . . 5 LYS CG . 50956 1 9 . 1 . 1 26 26 LYS CD C 13 29.0 0.2 . 1 . . . . . 5 LYS CD . 50956 1 10 . 1 . 1 26 26 LYS CE C 13 41.6 0.2 . 1 . . . . . 5 LYS CE . 50956 1 11 . 1 . 1 26 26 LYS NZ N 15 31.5 0.2 . 1 . . . . . 5 LYS NZ . 50956 1 12 . 1 . 1 27 27 LYS HA H 1 4.39 0.02 . 1 . . . . . 6 LYS HA . 50956 1 13 . 1 . 1 27 27 LYS HB3 H 1 1.82 0.02 . 1 . . . . . 6 LYS HB3 . 50956 1 14 . 1 . 1 27 27 LYS HG3 H 1 1.48 0.02 . 1 . . . . . 6 LYS HG3 . 50956 1 15 . 1 . 1 27 27 LYS HD3 H 1 1.71 0.02 . 1 . . . . . 6 LYS HD3 . 50956 1 16 . 1 . 1 27 27 LYS HE2 H 1 3.02 0.02 . 1 . . . . . 6 LYS HE2 . 50956 1 17 . 1 . 1 27 27 LYS CA C 13 55.8 0.2 . 1 . . . . . 6 LYS CA . 50956 1 18 . 1 . 1 27 27 LYS CB C 13 33.1 0.2 . 1 . . . . . 6 LYS CB . 50956 1 19 . 1 . 1 27 27 LYS CG C 13 24.3 0.2 . 1 . . . . . 6 LYS CG . 50956 1 20 . 1 . 1 27 27 LYS CD C 13 28.2 0.2 . 1 . . . . . 6 LYS CD . 50956 1 21 . 1 . 1 27 27 LYS CE C 13 41.6 0.2 . 1 . . . . . 6 LYS CE . 50956 1 22 . 1 . 1 27 27 LYS NZ N 15 31.5 0.2 . 1 . . . . . 6 LYS NZ . 50956 1 23 . 1 . 1 30 30 LYS HA H 1 4.85 0.02 . 1 . . . . . 9 LYS HA . 50956 1 24 . 1 . 1 30 30 LYS HB3 H 1 1.41 0.02 . 1 . . . . . 9 LYS HB3 . 50956 1 25 . 1 . 1 30 30 LYS HG3 H 1 1.34 0.02 . 1 . . . . . 9 LYS HG3 . 50956 1 26 . 1 . 1 30 30 LYS HD3 H 1 0.89 0.02 . 1 . . . . . 9 LYS HD3 . 50956 1 27 . 1 . 1 30 30 LYS HE2 H 1 1.83 0.02 . 1 . . . . . 9 LYS HE2 . 50956 1 28 . 1 . 1 30 30 LYS CA C 13 55.7 0.2 . 1 . . . . . 9 LYS CA . 50956 1 29 . 1 . 1 30 30 LYS CB C 13 34.3 0.2 . 1 . . . . . 9 LYS CB . 50956 1 30 . 1 . 1 30 30 LYS CG C 13 24.9 0.2 . 1 . . . . . 9 LYS CG . 50956 1 31 . 1 . 1 30 30 LYS CD C 13 28.6 0.2 . 1 . . . . . 9 LYS CD . 50956 1 32 . 1 . 1 30 30 LYS CE C 13 40.3 0.2 . 1 . . . . . 9 LYS CE . 50956 1 33 . 1 . 1 30 30 LYS NZ N 15 30.8 0.2 . 1 . . . . . 9 LYS NZ . 50956 1 34 . 1 . 1 37 37 LYS HA H 1 4.45 0.02 . 1 . . . . . 16 LYS HA . 50956 1 35 . 1 . 1 37 37 LYS HB3 H 1 1.77 0.02 . 1 . . . . . 16 LYS HB3 . 50956 1 36 . 1 . 1 37 37 LYS HG3 H 1 1.32 0.02 . 1 . . . . . 16 LYS HG3 . 50956 1 37 . 1 . 1 37 37 LYS HD3 H 1 1.63 0.02 . 1 . . . . . 16 LYS HD3 . 50956 1 38 . 1 . 1 37 37 LYS HE2 H 1 2.95 0.02 . 1 . . . . . 16 LYS HE2 . 50956 1 39 . 1 . 1 37 37 LYS CA C 13 56.4 0.2 . 1 . . . . . 16 LYS CA . 50956 1 40 . 1 . 1 37 37 LYS CB C 13 35.4 0.2 . 1 . . . . . 16 LYS CB . 50956 1 41 . 1 . 1 37 37 LYS CG C 13 23.7 0.2 . 1 . . . . . 16 LYS CG . 50956 1 42 . 1 . 1 37 37 LYS CD C 13 28.1 0.2 . 1 . . . . . 16 LYS CD . 50956 1 43 . 1 . 1 37 37 LYS CE C 13 41.5 0.2 . 1 . . . . . 16 LYS CE . 50956 1 44 . 1 . 1 37 37 LYS NZ N 15 31.7 0.2 . 1 . . . . . 16 LYS NZ . 50956 1 45 . 1 . 1 45 45 LYS HA H 1 5.46 0.02 . 1 . . . . . 24 LYS HA . 50956 1 46 . 1 . 1 45 45 LYS HB3 H 1 1.95 0.02 . 1 . . . . . 24 LYS HB3 . 50956 1 47 . 1 . 1 45 45 LYS HG3 H 1 1.39 0.02 . 1 . . . . . 24 LYS HG3 . 50956 1 48 . 1 . 1 45 45 LYS HD3 H 1 1.62 0.02 . 1 . . . . . 24 LYS HD3 . 50956 1 49 . 1 . 1 45 45 LYS HE2 H 1 2.83 0.02 . 1 . . . . . 24 LYS HE2 . 50956 1 50 . 1 . 1 45 45 LYS CA C 13 55.6 0.2 . 1 . . . . . 24 LYS CA . 50956 1 51 . 1 . 1 45 45 LYS CB C 13 34.1 0.2 . 1 . . . . . 24 LYS CB . 50956 1 52 . 1 . 1 45 45 LYS CG C 13 25.0 0.2 . 1 . . . . . 24 LYS CG . 50956 1 53 . 1 . 1 45 45 LYS CD C 13 29.3 0.2 . 1 . . . . . 24 LYS CD . 50956 1 54 . 1 . 1 45 45 LYS CE C 13 41.3 0.2 . 1 . . . . . 24 LYS CE . 50956 1 55 . 1 . 1 45 45 LYS NZ N 15 32.0 0.2 . 1 . . . . . 24 LYS NZ . 50956 1 56 . 1 . 1 49 49 LYS HA H 1 3.65 0.02 . 1 . . . . . 28 LYS HA . 50956 1 57 . 1 . 1 49 49 LYS HB3 H 1 1.85 0.02 . 1 . . . . . 28 LYS HB3 . 50956 1 58 . 1 . 1 49 49 LYS HG3 H 1 0.46 0.02 . 1 . . . . . 28 LYS HG3 . 50956 1 59 . 1 . 1 49 49 LYS HD3 H 1 1.48 0.02 . 1 . . . . . 28 LYS HD3 . 50956 1 60 . 1 . 1 49 49 LYS HE2 H 1 3.01 0.02 . 1 . . . . . 28 LYS HE2 . 50956 1 61 . 1 . 1 49 49 LYS CA C 13 57.3 0.2 . 1 . . . . . 28 LYS CA . 50956 1 62 . 1 . 1 49 49 LYS CB C 13 29.3 0.2 . 1 . . . . . 28 LYS CB . 50956 1 63 . 1 . 1 49 49 LYS CG C 13 24.4 0.2 . 1 . . . . . 28 LYS CG . 50956 1 64 . 1 . 1 49 49 LYS CD C 13 28.9 0.2 . 1 . . . . . 28 LYS CD . 50956 1 65 . 1 . 1 49 49 LYS CE C 13 41.7 0.2 . 1 . . . . . 28 LYS CE . 50956 1 66 . 1 . 1 49 49 LYS NZ N 15 31.9 0.2 . 1 . . . . . 28 LYS NZ . 50956 1 67 . 1 . 1 68 68 LYS HA H 1 3.69 0.02 . 1 . . . . . 53 LYS HA . 50956 1 68 . 1 . 1 68 68 LYS HB3 H 1 1.49 0.02 . 1 . . . . . 53 LYS HB3 . 50956 1 69 . 1 . 1 68 68 LYS HG3 H 1 1.06 0.02 . 1 . . . . . 53 LYS HG3 . 50956 1 70 . 1 . 1 68 68 LYS HD3 H 1 1.46 0.02 . 1 . . . . . 53 LYS HD3 . 50956 1 71 . 1 . 1 68 68 LYS HE2 H 1 2.75 0.02 . 1 . . . . . 53 LYS HE2 . 50956 1 72 . 1 . 1 68 68 LYS CA C 13 59.0 0.2 . 1 . . . . . 53 LYS CA . 50956 1 73 . 1 . 1 68 68 LYS CB C 13 31.3 0.2 . 1 . . . . . 53 LYS CB . 50956 1 74 . 1 . 1 68 68 LYS CG C 13 24.5 0.2 . 1 . . . . . 53 LYS CG . 50956 1 75 . 1 . 1 68 68 LYS CD C 13 28.6 0.2 . 1 . . . . . 53 LYS CD . 50956 1 76 . 1 . 1 68 68 LYS CE C 13 41.4 0.2 . 1 . . . . . 53 LYS CE . 50956 1 77 . 1 . 1 68 68 LYS NZ N 15 31.8 0.2 . 1 . . . . . 53 LYS NZ . 50956 1 78 . 1 . 1 78 78 LYS HA H 1 3.63 0.02 . 1 . . . . . 63 LYS HA . 50956 1 79 . 1 . 1 78 78 LYS HB3 H 1 1.76 0.02 . 1 . . . . . 63 LYS HB3 . 50956 1 80 . 1 . 1 78 78 LYS HG3 H 1 1.31 0.02 . 1 . . . . . 63 LYS HG3 . 50956 1 81 . 1 . 1 78 78 LYS HD3 H 1 1.60 0.02 . 1 . . . . . 63 LYS HD3 . 50956 1 82 . 1 . 1 78 78 LYS HE2 H 1 3.02 0.02 . 1 . . . . . 63 LYS HE2 . 50956 1 83 . 1 . 1 78 78 LYS CA C 13 60.6 0.2 . 1 . . . . . 63 LYS CA . 50956 1 84 . 1 . 1 78 78 LYS CB C 13 32.6 0.2 . 1 . . . . . 63 LYS CB . 50956 1 85 . 1 . 1 78 78 LYS CG C 13 24.0 0.2 . 1 . . . . . 63 LYS CG . 50956 1 86 . 1 . 1 78 78 LYS CD C 13 29.5 0.2 . 1 . . . . . 63 LYS CD . 50956 1 87 . 1 . 1 78 78 LYS CE C 13 41.6 0.2 . 1 . . . . . 63 LYS CE . 50956 1 88 . 1 . 1 78 78 LYS NZ N 15 31.5 0.2 . 1 . . . . . 63 LYS NZ . 50956 1 89 . 1 . 1 79 79 LYS HA H 1 3.98 0.02 . 1 . . . . . 64 LYS HA . 50956 1 90 . 1 . 1 79 79 LYS HB3 H 1 1.74 0.02 . 1 . . . . . 64 LYS HB3 . 50956 1 91 . 1 . 1 79 79 LYS HG3 H 1 1.40 0.02 . 1 . . . . . 64 LYS HG3 . 50956 1 92 . 1 . 1 79 79 LYS HD3 H 1 1.59 0.02 . 1 . . . . . 64 LYS HD3 . 50956 1 93 . 1 . 1 79 79 LYS HE2 H 1 2.88 0.02 . 1 . . . . . 64 LYS HE2 . 50956 1 94 . 1 . 1 79 79 LYS CA C 13 59.2 0.2 . 1 . . . . . 64 LYS CA . 50956 1 95 . 1 . 1 79 79 LYS CB C 13 31.6 0.2 . 1 . . . . . 64 LYS CB . 50956 1 96 . 1 . 1 79 79 LYS CG C 13 24.3 0.2 . 1 . . . . . 64 LYS CG . 50956 1 97 . 1 . 1 79 79 LYS CD C 13 28.7 0.2 . 1 . . . . . 64 LYS CD . 50956 1 98 . 1 . 1 79 79 LYS CE C 13 41.4 0.2 . 1 . . . . . 64 LYS CE . 50956 1 99 . 1 . 1 79 79 LYS NZ N 15 31.6 0.2 . 1 . . . . . 64 LYS NZ . 50956 1 100 . 1 . 1 81 81 LYS HA H 1 3.97 0.02 . 1 . . . . . 66 LYS HA . 50956 1 101 . 1 . 1 81 81 LYS HB3 H 1 1.70 0.02 . 1 . . . . . 66 LYS HB3 . 50956 1 102 . 1 . 1 81 81 LYS HG3 H 1 1.61 0.02 . 1 . . . . . 66 LYS HG3 . 50956 1 103 . 1 . 1 81 81 LYS HD3 H 1 1.32 0.02 . 1 . . . . . 66 LYS HD3 . 50956 1 104 . 1 . 1 81 81 LYS HE2 H 1 2.55 0.02 . 1 . . . . . 66 LYS HE2 . 50956 1 105 . 1 . 1 81 81 LYS CA C 13 59.3 0.2 . 1 . . . . . 66 LYS CA . 50956 1 106 . 1 . 1 81 81 LYS CB C 13 32.6 0.2 . 1 . . . . . 66 LYS CB . 50956 1 107 . 1 . 1 81 81 LYS CG C 13 25.5 0.2 . 1 . . . . . 66 LYS CG . 50956 1 108 . 1 . 1 81 81 LYS CD C 13 33.8 0.2 . 1 . . . . . 66 LYS CD . 50956 1 109 . 1 . 1 81 81 LYS CE C 13 43.6 0.2 . 1 . . . . . 66 LYS CE . 50956 1 110 . 1 . 1 81 81 LYS NZ N 15 20.9 0.2 . 1 . . . . . 66 LYS NZ . 50956 1 111 . 1 . 1 85 85 LYS HA H 1 4.40 0.02 . 1 . . . . . 70 LYS HA . 50956 1 112 . 1 . 1 85 85 LYS HB3 H 1 1.77 0.02 . 1 . . . . . 70 LYS HB3 . 50956 1 113 . 1 . 1 85 85 LYS HG3 H 1 1.45 0.02 . 1 . . . . . 70 LYS HG3 . 50956 1 114 . 1 . 1 85 85 LYS HD3 H 1 1.68 0.02 . 1 . . . . . 70 LYS HD3 . 50956 1 115 . 1 . 1 85 85 LYS HE2 H 1 3.04 0.02 . 1 . . . . . 70 LYS HE2 . 50956 1 116 . 1 . 1 85 85 LYS CA C 13 57.6 0.2 . 1 . . . . . 70 LYS CA . 50956 1 117 . 1 . 1 85 85 LYS CB C 13 32.5 0.2 . 1 . . . . . 70 LYS CB . 50956 1 118 . 1 . 1 85 85 LYS CG C 13 24.1 0.2 . 1 . . . . . 70 LYS CG . 50956 1 119 . 1 . 1 85 85 LYS CD C 13 28.4 0.2 . 1 . . . . . 70 LYS CD . 50956 1 120 . 1 . 1 85 85 LYS CE C 13 41.6 0.2 . 1 . . . . . 70 LYS CE . 50956 1 121 . 1 . 1 85 85 LYS NZ N 15 31.3 0.2 . 1 . . . . . 70 LYS NZ . 50956 1 122 . 1 . 1 86 86 LYS HA H 1 4.69 0.02 . 1 . . . . . 71 LYS HA . 50956 1 123 . 1 . 1 86 86 LYS HB3 H 1 1.86 0.02 . 1 . . . . . 71 LYS HB3 . 50956 1 124 . 1 . 1 86 86 LYS HG3 H 1 1.45 0.02 . 1 . . . . . 71 LYS HG3 . 50956 1 125 . 1 . 1 86 86 LYS HD3 H 1 1.67 0.02 . 1 . . . . . 71 LYS HD3 . 50956 1 126 . 1 . 1 86 86 LYS HE2 H 1 2.89 0.02 . 1 . . . . . 71 LYS HE2 . 50956 1 127 . 1 . 1 86 86 LYS CA C 13 55.4 0.2 . 1 . . . . . 71 LYS CA . 50956 1 128 . 1 . 1 86 86 LYS CB C 13 35.0 0.2 . 1 . . . . . 71 LYS CB . 50956 1 129 . 1 . 1 86 86 LYS CG C 13 24.2 0.2 . 1 . . . . . 71 LYS CG . 50956 1 130 . 1 . 1 86 86 LYS CD C 13 28.2 0.2 . 1 . . . . . 71 LYS CD . 50956 1 131 . 1 . 1 86 86 LYS CE C 13 41.2 0.2 . 1 . . . . . 71 LYS CE . 50956 1 132 . 1 . 1 86 86 LYS NZ N 15 31.7 0.2 . 1 . . . . . 71 LYS NZ . 50956 1 133 . 1 . 1 93 93 LYS HA H 1 4.38 0.02 . 1 . . . . . 78 LYS HA . 50956 1 134 . 1 . 1 93 93 LYS HB3 H 1 1.91 0.02 . 1 . . . . . 78 LYS HB3 . 50956 1 135 . 1 . 1 93 93 LYS HG3 H 1 1.52 0.02 . 1 . . . . . 78 LYS HG3 . 50956 1 136 . 1 . 1 93 93 LYS HD3 H 1 1.75 0.02 . 1 . . . . . 78 LYS HD3 . 50956 1 137 . 1 . 1 93 93 LYS HE2 H 1 3.09 0.02 . 1 . . . . . 78 LYS HE2 . 50956 1 138 . 1 . 1 93 93 LYS CA C 13 56.9 0.2 . 1 . . . . . 78 LYS CA . 50956 1 139 . 1 . 1 93 93 LYS CB C 13 32.8 0.2 . 1 . . . . . 78 LYS CB . 50956 1 140 . 1 . 1 93 93 LYS CG C 13 23.9 0.2 . 1 . . . . . 78 LYS CG . 50956 1 141 . 1 . 1 93 93 LYS CD C 13 28.3 0.2 . 1 . . . . . 78 LYS CD . 50956 1 142 . 1 . 1 93 93 LYS CE C 13 42.0 0.2 . 1 . . . . . 78 LYS CE . 50956 1 143 . 1 . 1 93 93 LYS NZ N 15 31.5 0.2 . 1 . . . . . 78 LYS NZ . 50956 1 144 . 1 . 1 99 99 LYS HA H 1 4.09 0.02 . 1 . . . . . 84 LYS HA . 50956 1 145 . 1 . 1 99 99 LYS HB3 H 1 1.50 0.02 . 1 . . . . . 84 LYS HB3 . 50956 1 146 . 1 . 1 99 99 LYS HG3 H 1 0.49 0.02 . 1 . . . . . 84 LYS HG3 . 50956 1 147 . 1 . 1 99 99 LYS HD3 H 1 1.46 0.02 . 1 . . . . . 84 LYS HD3 . 50956 1 148 . 1 . 1 99 99 LYS HE2 H 1 2.80 0.02 . 1 . . . . . 84 LYS HE2 . 50956 1 149 . 1 . 1 99 99 LYS CA C 13 58.1 0.2 . 1 . . . . . 84 LYS CA . 50956 1 150 . 1 . 1 99 99 LYS CB C 13 31.1 0.2 . 1 . . . . . 84 LYS CB . 50956 1 151 . 1 . 1 99 99 LYS CG C 13 22.9 0.2 . 1 . . . . . 84 LYS CG . 50956 1 152 . 1 . 1 99 99 LYS CD C 13 28.6 0.2 . 1 . . . . . 84 LYS CD . 50956 1 153 . 1 . 1 99 99 LYS CE C 13 41.3 0.2 . 1 . . . . . 84 LYS CE . 50956 1 154 . 1 . 1 99 99 LYS NZ N 15 32.0 0.2 . 1 . . . . . 84 LYS NZ . 50956 1 155 . 1 . 1 112 112 LYS HA H 1 4.66 0.02 . 1 . . . . . 97 LYS HA . 50956 1 156 . 1 . 1 112 112 LYS HB3 H 1 1.74 0.02 . 1 . . . . . 97 LYS HB3 . 50956 1 157 . 1 . 1 112 112 LYS HG3 H 1 1.47 0.02 . 1 . . . . . 97 LYS HG3 . 50956 1 158 . 1 . 1 112 112 LYS HD3 H 1 1.64 0.02 . 1 . . . . . 97 LYS HD3 . 50956 1 159 . 1 . 1 112 112 LYS HE2 H 1 3.04 0.02 . 1 . . . . . 97 LYS HE2 . 50956 1 160 . 1 . 1 112 112 LYS CA C 13 54.0 0.2 . 1 . . . . . 97 LYS CA . 50956 1 161 . 1 . 1 112 112 LYS CB C 13 32.7 0.2 . 1 . . . . . 97 LYS CB . 50956 1 162 . 1 . 1 112 112 LYS CG C 13 24.4 0.2 . 1 . . . . . 97 LYS CG . 50956 1 163 . 1 . 1 112 112 LYS CD C 13 28.5 0.2 . 1 . . . . . 97 LYS CD . 50956 1 164 . 1 . 1 112 112 LYS CE C 13 41.6 0.2 . 1 . . . . . 97 LYS CE . 50956 1 165 . 1 . 1 112 112 LYS NZ N 15 31.4 0.2 . 1 . . . . . 97 LYS NZ . 50956 1 166 . 1 . 1 125 125 LYS HA H 1 5.12 0.02 . 1 . . . . . 110 LYS HA . 50956 1 167 . 1 . 1 125 125 LYS HB3 H 1 2.02 0.02 . 1 . . . . . 110 LYS HB3 . 50956 1 168 . 1 . 1 125 125 LYS HG3 H 1 1.27 0.02 . 1 . . . . . 110 LYS HG3 . 50956 1 169 . 1 . 1 125 125 LYS HD3 H 1 1.64 0.02 . 1 . . . . . 110 LYS HD3 . 50956 1 170 . 1 . 1 125 125 LYS HE2 H 1 2.53 0.02 . 1 . . . . . 110 LYS HE2 . 50956 1 171 . 1 . 1 125 125 LYS CA C 13 54.2 0.2 . 1 . . . . . 110 LYS CA . 50956 1 172 . 1 . 1 125 125 LYS CB C 13 35.0 0.2 . 1 . . . . . 110 LYS CB . 50956 1 173 . 1 . 1 125 125 LYS CG C 13 24.9 0.2 . 1 . . . . . 110 LYS CG . 50956 1 174 . 1 . 1 125 125 LYS CD C 13 29.0 0.2 . 1 . . . . . 110 LYS CD . 50956 1 175 . 1 . 1 125 125 LYS CE C 13 41.3 0.2 . 1 . . . . . 110 LYS CE . 50956 1 176 . 1 . 1 125 125 LYS NZ N 15 31.6 0.2 . 1 . . . . . 110 LYS NZ . 50956 1 177 . 1 . 1 131 131 LYS HA H 1 3.89 0.02 . 1 . . . . . 116 LYS HA . 50956 1 178 . 1 . 1 131 131 LYS HB3 H 1 1.73 0.02 . 1 . . . . . 116 LYS HB3 . 50956 1 179 . 1 . 1 131 131 LYS HG3 H 1 1.15 0.02 . 1 . . . . . 116 LYS HG3 . 50956 1 180 . 1 . 1 131 131 LYS HD3 H 1 1.54 0.02 . 1 . . . . . 116 LYS HD3 . 50956 1 181 . 1 . 1 131 131 LYS HE2 H 1 2.91 0.02 . 1 . . . . . 116 LYS HE2 . 50956 1 182 . 1 . 1 131 131 LYS CA C 13 57.5 0.2 . 1 . . . . . 116 LYS CA . 50956 1 183 . 1 . 1 131 131 LYS CB C 13 31.5 0.2 . 1 . . . . . 116 LYS CB . 50956 1 184 . 1 . 1 131 131 LYS CG C 13 23.9 0.2 . 1 . . . . . 116 LYS CG . 50956 1 185 . 1 . 1 131 131 LYS CD C 13 28.3 0.2 . 1 . . . . . 116 LYS CD . 50956 1 186 . 1 . 1 131 131 LYS CE C 13 41.5 0.2 . 1 . . . . . 116 LYS CE . 50956 1 187 . 1 . 1 131 131 LYS NZ N 15 31.6 0.2 . 1 . . . . . 116 LYS NZ . 50956 1 188 . 1 . 1 142 142 LYS HA H 1 4.16 0.02 . 1 . . . . . 127 LYS HA . 50956 1 189 . 1 . 1 142 142 LYS HB3 H 1 1.97 0.02 . 1 . . . . . 127 LYS HB3 . 50956 1 190 . 1 . 1 142 142 LYS HG3 H 1 1.62 0.02 . 1 . . . . . 127 LYS HG3 . 50956 1 191 . 1 . 1 142 142 LYS HD3 H 1 1.68 0.02 . 1 . . . . . 127 LYS HD3 . 50956 1 192 . 1 . 1 142 142 LYS HE2 H 1 2.97 0.02 . 1 . . . . . 127 LYS HE2 . 50956 1 193 . 1 . 1 142 142 LYS CA C 13 59.1 0.2 . 1 . . . . . 127 LYS CA . 50956 1 194 . 1 . 1 142 142 LYS CB C 13 31.7 0.2 . 1 . . . . . 127 LYS CB . 50956 1 195 . 1 . 1 142 142 LYS CG C 13 24.7 0.2 . 1 . . . . . 127 LYS CG . 50956 1 196 . 1 . 1 142 142 LYS CD C 13 28.9 0.2 . 1 . . . . . 127 LYS CD . 50956 1 197 . 1 . 1 142 142 LYS CE C 13 41.5 0.2 . 1 . . . . . 127 LYS CE . 50956 1 198 . 1 . 1 142 142 LYS NZ N 15 31.5 0.2 . 1 . . . . . 127 LYS NZ . 50956 1 199 . 1 . 1 148 148 LYS HA H 1 3.47 0.02 . 1 . . . . . 133 LYS HA . 50956 1 200 . 1 . 1 148 148 LYS HB3 H 1 1.27 0.02 . 1 . . . . . 133 LYS HB3 . 50956 1 201 . 1 . 1 148 148 LYS HG3 H 1 0.44 0.02 . 1 . . . . . 133 LYS HG3 . 50956 1 202 . 1 . 1 148 148 LYS HD3 H 1 1.00 0.02 . 1 . . . . . 133 LYS HD3 . 50956 1 203 . 1 . 1 148 148 LYS HE2 H 1 1.95 0.02 . 1 . . . . . 133 LYS HE2 . 50956 1 204 . 1 . 1 148 148 LYS CA C 13 59.4 0.2 . 1 . . . . . 133 LYS CA . 50956 1 205 . 1 . 1 148 148 LYS CB C 13 32.0 0.2 . 1 . . . . . 133 LYS CB . 50956 1 206 . 1 . 1 148 148 LYS CG C 13 23.9 0.2 . 1 . . . . . 133 LYS CG . 50956 1 207 . 1 . 1 148 148 LYS CD C 13 28.7 0.2 . 1 . . . . . 133 LYS CD . 50956 1 208 . 1 . 1 148 148 LYS CE C 13 40.7 0.2 . 1 . . . . . 133 LYS CE . 50956 1 209 . 1 . 1 148 148 LYS NZ N 15 31.7 0.2 . 1 . . . . . 133 LYS NZ . 50956 1 210 . 1 . 1 149 149 LYS HA H 1 3.98 0.02 . 1 . . . . . 134 LYS HA . 50956 1 211 . 1 . 1 149 149 LYS HB3 H 1 2.00 0.02 . 1 . . . . . 134 LYS HB3 . 50956 1 212 . 1 . 1 149 149 LYS HG3 H 1 1.50 0.02 . 1 . . . . . 134 LYS HG3 . 50956 1 213 . 1 . 1 149 149 LYS HD3 H 1 1.61 0.02 . 1 . . . . . 134 LYS HD3 . 50956 1 214 . 1 . 1 149 149 LYS HE2 H 1 2.98 0.02 . 1 . . . . . 134 LYS HE2 . 50956 1 215 . 1 . 1 149 149 LYS CA C 13 59.2 0.2 . 1 . . . . . 134 LYS CA . 50956 1 216 . 1 . 1 149 149 LYS CB C 13 31.8 0.2 . 1 . . . . . 134 LYS CB . 50956 1 217 . 1 . 1 149 149 LYS CG C 13 24.2 0.2 . 1 . . . . . 134 LYS CG . 50956 1 218 . 1 . 1 149 149 LYS CD C 13 29.3 0.2 . 1 . . . . . 134 LYS CD . 50956 1 219 . 1 . 1 149 149 LYS CE C 13 41.6 0.2 . 1 . . . . . 134 LYS CE . 50956 1 220 . 1 . 1 149 149 LYS NZ N 15 31.5 0.2 . 1 . . . . . 134 LYS NZ . 50956 1 221 . 1 . 1 151 151 LYS HA H 1 3.61 0.02 . 1 . . . . . 136 LYS HA . 50956 1 222 . 1 . 1 151 151 LYS HB3 H 1 1.51 0.02 . 1 . . . . . 136 LYS HB3 . 50956 1 223 . 1 . 1 151 151 LYS HG3 H 1 1.40 0.02 . 1 . . . . . 136 LYS HG3 . 50956 1 224 . 1 . 1 151 151 LYS HD3 H 1 1.80 0.02 . 1 . . . . . 136 LYS HD3 . 50956 1 225 . 1 . 1 151 151 LYS HE2 H 1 3.05 0.02 . 1 . . . . . 136 LYS HE2 . 50956 1 226 . 1 . 1 151 151 LYS CA C 13 56.6 0.2 . 1 . . . . . 136 LYS CA . 50956 1 227 . 1 . 1 151 151 LYS CB C 13 28.6 0.2 . 1 . . . . . 136 LYS CB . 50956 1 228 . 1 . 1 151 151 LYS CG C 13 24.4 0.2 . 1 . . . . . 136 LYS CG . 50956 1 229 . 1 . 1 151 151 LYS CD C 13 28.5 0.2 . 1 . . . . . 136 LYS CD . 50956 1 230 . 1 . 1 151 151 LYS CE C 13 41.8 0.2 . 1 . . . . . 136 LYS CE . 50956 1 231 . 1 . 1 151 151 LYS NZ N 15 31.4 0.2 . 1 . . . . . 136 LYS NZ . 50956 1 stop_ save_