################################### # 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_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 15983 _Assigned_chem_shift_list.ID 1 _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 $chemical_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-15N HSQC' . . . 15983 1 2 '2D 1H-13C HSQC' . . . 15983 1 3 '2D 1H-1H TOCSY' . . . 15983 1 4 '2D 1H-1H TOCSY' . . . 15983 1 6 '2D 1H-1H COSY' . . . 15983 1 7 '2D 1H-1H NOESY' . . . 15983 1 8 '2D 1H-1H NOESY' . . . 15983 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 $X-PLOR_NIH . . 15983 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_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.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 PFX HA H 1 4.2 0.03 . 1 . . . . 0 PFX HA . 15983 1 2 . 1 1 1 1 PFX HB2 H 1 3.19 0.03 . 1 . . . . 0 PFX HB2 . 15983 1 3 . 1 1 1 1 PFX HB3 H 1 3.19 0.03 . 1 . . . . 0 PFX HB3 . 15983 1 4 . 1 1 1 1 PFX HD1 H 1 7.73 0.03 . 1 . . . . 0 PFX HD1 . 15983 1 5 . 1 1 1 1 PFX HD2 H 1 7.73 0.03 . 1 . . . . 0 PFX HD2 . 15983 1 6 . 1 1 1 1 PFX HE1 H 1 7.36 0.03 . 1 . . . . 0 PFX HE1 . 15983 1 7 . 1 1 1 1 PFX HE2 H 1 7.36 0.03 . 1 . . . . 0 PFX HE2 . 15983 1 8 . 1 1 1 1 PFX CA C 13 58.69 0.3 . 1 . . . . 0 PFX CA . 15983 1 9 . 1 1 2 2 ARG HB2 H 1 1.87 0.03 . 2 . . . . 1 ARG HB2 . 15983 1 10 . 1 1 2 2 ARG HB3 H 1 1.75 0.03 . 2 . . . . 1 ARG HB3 . 15983 1 11 . 1 1 2 2 ARG HD2 H 1 3.17 0.03 . 1 . . . . 1 ARG HD2 . 15983 1 12 . 1 1 2 2 ARG HD3 H 1 3.17 0.03 . 1 . . . . 1 ARG HD3 . 15983 1 13 . 1 1 2 2 ARG HE H 1 7.29 0.03 . 1 . . . . 1 ARG HE . 15983 1 14 . 1 1 2 2 ARG HG2 H 1 1.62 0.03 . 1 . . . . 1 ARG HG2 . 15983 1 15 . 1 1 2 2 ARG HG3 H 1 1.62 0.03 . 1 . . . . 1 ARG HG3 . 15983 1 16 . 1 1 3 3 SER H H 1 8.44 0.03 . 1 . . . . 2 SER H . 15983 1 17 . 1 1 3 3 SER HA H 1 4.37 0.03 . 1 . . . . 2 SER HA . 15983 1 18 . 1 1 3 3 SER HB2 H 1 3.82 0.03 . 1 . . . . 2 SER HB2 . 15983 1 19 . 1 1 3 3 SER HB3 H 1 3.82 0.03 . 1 . . . . 2 SER HB3 . 15983 1 20 . 1 1 3 3 SER CA C 13 58.74 0.3 . 1 . . . . 2 SER CA . 15983 1 21 . 1 1 3 3 SER N N 15 117.03 0.3 . 1 . . . . 2 SER N . 15983 1 22 . 1 1 4 4 CYS H H 1 8.79 0.03 . 1 . . . . 3 CYS H . 15983 1 23 . 1 1 4 4 CYS HA H 1 4.82 0.03 . 1 . . . . 3 CYS HA . 15983 1 24 . 1 1 4 4 CYS HB2 H 1 3.0 0.03 . 1 . . . . 3 CYS HB2 . 15983 1 25 . 1 1 4 4 CYS HB3 H 1 3.0 0.03 . 1 . . . . 3 CYS HB3 . 15983 1 26 . 1 1 4 4 CYS CA C 13 53.66 0.3 . 1 . . . . 3 CYS CA . 15983 1 27 . 1 1 4 4 CYS N N 15 124.53 0.3 . 1 . . . . 3 CYS N . 15983 1 28 . 1 1 5 5 ILE H H 1 7.76 0.03 . 1 . . . . 4 ILE H . 15983 1 29 . 1 1 5 5 ILE HA H 1 4.65 0.03 . 1 . . . . 4 ILE HA . 15983 1 30 . 1 1 5 5 ILE HB H 1 1.94 0.03 . 1 . . . . 4 ILE HB . 15983 1 31 . 1 1 5 5 ILE HD11 H 1 0.81 0.03 . 1 . . . . 4 ILE HD1 . 15983 1 32 . 1 1 5 5 ILE HD12 H 1 0.81 0.03 . 1 . . . . 4 ILE HD1 . 15983 1 33 . 1 1 5 5 ILE HD13 H 1 0.81 0.03 . 1 . . . . 4 ILE HD1 . 15983 1 34 . 1 1 5 5 ILE HG12 H 1 1.17 0.03 . 2 . . . . 4 ILE HG12 . 15983 1 35 . 1 1 5 5 ILE HG13 H 1 0.98 0.03 . 2 . . . . 4 ILE HG13 . 15983 1 36 . 1 1 5 5 ILE HG21 H 1 0.84 0.03 . 1 . . . . 4 ILE HG2 . 15983 1 37 . 1 1 5 5 ILE HG22 H 1 0.84 0.03 . 1 . . . . 4 ILE HG2 . 15983 1 38 . 1 1 5 5 ILE HG23 H 1 0.84 0.03 . 1 . . . . 4 ILE HG2 . 15983 1 39 . 1 1 5 5 ILE CA C 13 60.18 0.3 . 1 . . . . 4 ILE CA . 15983 1 40 . 1 1 5 5 ILE N N 15 120.38 0.3 . 1 . . . . 4 ILE N . 15983 1 41 . 1 1 6 6 ASP H H 1 8.61 0.03 . 1 . . . . 5 ASP H . 15983 1 42 . 1 1 6 6 ASP HA H 1 5.33 0.03 . 1 . . . . 5 ASP HA . 15983 1 43 . 1 1 6 6 ASP HB2 H 1 3.24 0.03 . 2 . . . . 5 ASP HB2 . 15983 1 44 . 1 1 6 6 ASP HB3 H 1 2.69 0.03 . 2 . . . . 5 ASP HB3 . 15983 1 45 . 1 1 6 6 ASP CA C 13 54.73 0.3 . 1 . . . . 5 ASP CA . 15983 1 46 . 1 1 6 6 ASP N N 15 115.73 0.3 . 1 . . . . 5 ASP N . 15983 1 47 . 1 1 7 7 THR H H 1 9.5 0.03 . 1 . . . . 6 THR H . 15983 1 48 . 1 1 7 7 THR HA H 1 4.48 0.03 . 1 . . . . 6 THR HA . 15983 1 49 . 1 1 7 7 THR HB H 1 4.57 0.03 . 1 . . . . 6 THR HB . 15983 1 50 . 1 1 7 7 THR HG21 H 1 1.25 0.03 . 1 . . . . 6 THR HG2 . 15983 1 51 . 1 1 7 7 THR HG22 H 1 1.25 0.03 . 1 . . . . 6 THR HG2 . 15983 1 52 . 1 1 7 7 THR HG23 H 1 1.25 0.03 . 1 . . . . 6 THR HG2 . 15983 1 53 . 1 1 7 7 THR CA C 13 62.4 0.3 . 1 . . . . 6 THR CA . 15983 1 54 . 1 1 7 7 THR N N 15 112.78 0.3 . 1 . . . . 6 THR N . 15983 1 55 . 1 1 8 8 ILE H H 1 7.24 0.03 . 1 . . . . 7 ILE H . 15983 1 56 . 1 1 8 8 ILE HA H 1 4.77 0.03 . 1 . . . . 7 ILE HA . 15983 1 57 . 1 1 8 8 ILE HB H 1 1.84 0.03 . 1 . . . . 7 ILE HB . 15983 1 58 . 1 1 8 8 ILE HD11 H 1 0.47 0.03 . 1 . . . . 7 ILE HD1 . 15983 1 59 . 1 1 8 8 ILE HD12 H 1 0.47 0.03 . 1 . . . . 7 ILE HD1 . 15983 1 60 . 1 1 8 8 ILE HD13 H 1 0.47 0.03 . 1 . . . . 7 ILE HD1 . 15983 1 61 . 1 1 8 8 ILE HG12 H 1 1.33 0.03 . 2 . . . . 7 ILE HG12 . 15983 1 62 . 1 1 8 8 ILE HG13 H 1 0.80 0.03 . 2 . . . . 7 ILE HG13 . 15983 1 63 . 1 1 8 8 ILE HG21 H 1 0.40 0.03 . 1 . . . . 7 ILE HG2 . 15983 1 64 . 1 1 8 8 ILE HG22 H 1 0.40 0.03 . 1 . . . . 7 ILE HG2 . 15983 1 65 . 1 1 8 8 ILE HG23 H 1 0.40 0.03 . 1 . . . . 7 ILE HG2 . 15983 1 66 . 1 1 8 8 ILE CA C 13 60.19 0.3 . 1 . . . . 7 ILE CA . 15983 1 67 . 1 1 8 8 ILE N N 15 120.62 0.3 . 1 . . . . 7 ILE N . 15983 1 68 . 1 1 9 9 PRO HA H 1 4.27 0.03 . 1 . . . . 8 PRO HA . 15983 1 69 . 1 1 9 9 PRO HB2 H 1 2.43 0.03 . 2 . . . . 8 PRO HB2 . 15983 1 70 . 1 1 9 9 PRO HB3 H 1 1.75 0.03 . 2 . . . . 8 PRO HB3 . 15983 1 71 . 1 1 9 9 PRO HD2 H 1 3.81 0.03 . 2 . . . . 8 PRO HD2 . 15983 1 72 . 1 1 9 9 PRO HD3 H 1 3.38 0.03 . 2 . . . . 8 PRO HD3 . 15983 1 73 . 1 1 9 9 PRO HG2 H 1 2.07 0.03 . 2 . . . . 8 PRO HG2 . 15983 1 74 . 1 1 9 9 PRO HG3 H 1 1.96 0.03 . 2 . . . . 8 PRO HG3 . 15983 1 75 . 1 1 9 9 PRO CA C 13 64.02 0.3 . 1 . . . . 8 PRO CA . 15983 1 76 . 1 1 10 10 LYS H H 1 8.34 0.03 . 1 . . . . 9 LYS H . 15983 1 77 . 1 1 10 10 LYS HA H 1 3.87 0.03 . 1 . . . . 9 LYS HA . 15983 1 78 . 1 1 10 10 LYS HB2 H 1 1.78 0.03 . 2 . . . . 9 LYS HB2 . 15983 1 79 . 1 1 10 10 LYS HB3 H 1 1.86 0.03 . 2 . . . . 9 LYS HB3 . 15983 1 80 . 1 1 10 10 LYS HD2 H 1 1.68 0.03 . 1 . . . . 9 LYS HD2 . 15983 1 81 . 1 1 10 10 LYS HD3 H 1 1.68 0.03 . 1 . . . . 9 LYS HD3 . 15983 1 82 . 1 1 10 10 LYS HE2 H 1 3.25 0.03 . 1 . . . . 9 LYS HE2 . 15983 1 83 . 1 1 10 10 LYS HE3 H 1 3.25 0.03 . 1 . . . . 9 LYS HE3 . 15983 1 84 . 1 1 10 10 LYS HG2 H 1 1.49 0.03 . 1 . . . . 9 LYS HG2 . 15983 1 85 . 1 1 10 10 LYS HG3 H 1 1.49 0.03 . 1 . . . . 9 LYS HG3 . 15983 1 86 . 1 1 10 10 LYS HZ1 H 1 7.34 0.03 . 1 . . . . 9 LYS HZ . 15983 1 87 . 1 1 10 10 LYS HZ2 H 1 7.34 0.03 . 1 . . . . 9 LYS HZ . 15983 1 88 . 1 1 10 10 LYS HZ3 H 1 7.34 0.03 . 1 . . . . 9 LYS HZ . 15983 1 89 . 1 1 10 10 LYS C C 13 60.26 0.3 . 1 . . . . 9 LYS C . 15983 1 90 . 1 1 10 10 LYS N N 15 124.13 0.3 . 1 . . . . 9 LYS N . 15983 1 91 . 1 1 11 11 SER H H 1 8.44 0.03 . 1 . . . . 10 SER H . 15983 1 92 . 1 1 11 11 SER HA H 1 4.1 0.03 . 1 . . . . 10 SER HA . 15983 1 93 . 1 1 11 11 SER HB2 H 1 3.91 0.03 . 1 . . . . 10 SER HB2 . 15983 1 94 . 1 1 11 11 SER HB3 H 1 3.91 0.03 . 1 . . . . 10 SER HB3 . 15983 1 95 . 1 1 11 11 SER CA C 13 60.77 0.3 . 1 . . . . 10 SER CA . 15983 1 96 . 1 1 11 11 SER N N 15 114.16 0.3 . 1 . . . . 10 SER N . 15983 1 97 . 1 1 12 12 ARG H H 1 8.13 0.03 . 1 . . . . 11 ARG H . 15983 1 98 . 1 1 12 12 ARG HA H 1 4.43 0.03 . 1 . . . . 11 ARG HA . 15983 1 99 . 1 1 12 12 ARG HB2 H 1 2.28 0.03 . 2 . . . . 11 ARG HB2 . 15983 1 100 . 1 1 12 12 ARG HB3 H 1 1.93 0.03 . 2 . . . . 11 ARG HB3 . 15983 1 101 . 1 1 12 12 ARG HD2 H 1 3.27 0.03 . 2 . . . . 11 ARG HD2 . 15983 1 102 . 1 1 12 12 ARG HD3 H 1 3.13 0.03 . 2 . . . . 11 ARG HD3 . 15983 1 103 . 1 1 12 12 ARG HE H 1 7.45 0.03 . 1 . . . . 11 ARG HE . 15983 1 104 . 1 1 12 12 ARG HG2 H 1 1.75 0.03 . 1 . . . . 11 ARG HG2 . 15983 1 105 . 1 1 12 12 ARG HG3 H 1 1.75 0.03 . 1 . . . . 11 ARG HG3 . 15983 1 106 . 1 1 12 12 ARG HH11 H 1 7.24 0.03 . 1 . . . . 11 ARG HH11 . 15983 1 107 . 1 1 12 12 ARG HH12 H 1 7.24 0.03 . 1 . . . . 11 ARG HH12 . 15983 1 108 . 1 1 12 12 ARG CA C 13 56.82 0.3 . 1 . . . . 11 ARG CA . 15983 1 109 . 1 1 12 12 ARG N N 15 118.92 0.3 . 1 . . . . 11 ARG N . 15983 1 110 . 1 1 13 13 CYS H H 1 7.98 0.03 . 1 . . . . 12 CYS H . 15983 1 111 . 1 1 13 13 CYS HA H 1 5.03 0.03 . 1 . . . . 12 CYS HA . 15983 1 112 . 1 1 13 13 CYS HB2 H 1 3.27 0.03 . 2 . . . . 12 CYS HB2 . 15983 1 113 . 1 1 13 13 CYS HB3 H 1 2.91 0.03 . 2 . . . . 12 CYS HB3 . 15983 1 114 . 1 1 13 13 CYS CA C 13 56.25 0.3 . 1 . . . . 12 CYS CA . 15983 1 115 . 1 1 13 13 CYS N N 15 122.66 0.3 . 1 . . . . 12 CYS N . 15983 1 116 . 1 1 14 14 THR H H 1 7.26 0.03 . 1 . . . . 13 THR H . 15983 1 117 . 1 1 14 14 THR HA H 1 4.38 0.03 . 1 . . . . 13 THR HA . 15983 1 118 . 1 1 14 14 THR HB H 1 4.75 0.03 . 1 . . . . 13 THR HB . 15983 1 119 . 1 1 14 14 THR HG1 H 1 5.78 0.03 . 1 . . . . 13 THR HG1 . 15983 1 120 . 1 1 14 14 THR HG21 H 1 1.31 0.03 . 1 . . . . 13 THR HG2 . 15983 1 121 . 1 1 14 14 THR HG22 H 1 1.31 0.03 . 1 . . . . 13 THR HG2 . 15983 1 122 . 1 1 14 14 THR HG23 H 1 1.31 0.03 . 1 . . . . 13 THR HG2 . 15983 1 123 . 1 1 14 14 THR CA C 13 60.24 0.3 . 1 . . . . 13 THR CA . 15983 1 124 . 1 1 14 14 THR N N 15 110.44 0.3 . 1 . . . . 13 THR N . 15983 1 125 . 1 1 15 15 ALA H H 1 8.86 0.03 . 1 . . . . 14 ALA H . 15983 1 126 . 1 1 15 15 ALA HA H 1 3.99 0.03 . 1 . . . . 14 ALA HA . 15983 1 127 . 1 1 15 15 ALA HB1 H 1 1.47 0.03 . 1 . . . . 14 ALA HB . 15983 1 128 . 1 1 15 15 ALA HB2 H 1 1.47 0.03 . 1 . . . . 14 ALA HB . 15983 1 129 . 1 1 15 15 ALA HB3 H 1 1.47 0.03 . 1 . . . . 14 ALA HB . 15983 1 130 . 1 1 15 15 ALA CA C 13 55.78 0.3 . 1 . . . . 14 ALA CA . 15983 1 131 . 1 1 15 15 ALA N N 15 124.10 0.3 . 1 . . . . 14 ALA N . 15983 1 132 . 1 1 16 16 PHE H H 1 8.52 0.03 . 1 . . . . 15 PHE H . 15983 1 133 . 1 1 16 16 PHE HA H 1 4.14 0.03 . 1 . . . . 15 PHE HA . 15983 1 134 . 1 1 16 16 PHE HB2 H 1 3.24 0.03 . 2 . . . . 15 PHE HB2 . 15983 1 135 . 1 1 16 16 PHE HB3 H 1 2.88 0.03 . 2 . . . . 15 PHE HB3 . 15983 1 136 . 1 1 16 16 PHE HD1 H 1 7.09 0.03 . 1 . . . . 15 PHE HD1 . 15983 1 137 . 1 1 16 16 PHE HD2 H 1 7.09 0.03 . 1 . . . . 15 PHE HD2 . 15983 1 138 . 1 1 16 16 PHE HE1 H 1 7.06 0.03 . 1 . . . . 15 PHE HE1 . 15983 1 139 . 1 1 16 16 PHE HE2 H 1 7.06 0.03 . 1 . . . . 15 PHE HE2 . 15983 1 140 . 1 1 16 16 PHE HZ H 1 6.85 0.03 . 1 . . . . 15 PHE HZ . 15983 1 141 . 1 1 16 16 PHE CA C 13 62.45 0.3 . 1 . . . . 15 PHE CA . 15983 1 142 . 1 1 16 16 PHE N N 15 117.05 0.3 . 1 . . . . 15 PHE N . 15983 1 143 . 1 1 17 17 GLN H H 1 7.82 0.03 . 1 . . . . 16 GLN H . 15983 1 144 . 1 1 17 17 GLN HA H 1 4.15 0.03 . 1 . . . . 16 GLN HA . 15983 1 145 . 1 1 17 17 GLN HB2 H 1 1.97 0.03 . 2 . . . . 16 GLN HB2 . 15983 1 146 . 1 1 17 17 GLN HB3 H 1 1.51 0.03 . 2 . . . . 16 GLN HB3 . 15983 1 147 . 1 1 17 17 GLN HE21 H 1 6.37 0.03 . 2 . . . . 16 GLN HE21 . 15983 1 148 . 1 1 17 17 GLN HE22 H 1 6.48 0.03 . 2 . . . . 16 GLN HE22 . 15983 1 149 . 1 1 17 17 GLN HG2 H 1 2.28 0.03 . 2 . . . . 16 GLN HG2 . 15983 1 150 . 1 1 17 17 GLN HG3 H 1 2.34 0.03 . 2 . . . . 16 GLN HG3 . 15983 1 151 . 1 1 17 17 GLN CA C 13 58.81 0.3 . 1 . . . . 16 GLN CA . 15983 1 152 . 1 1 17 17 GLN N N 15 119.45 0.3 . 1 . . . . 16 GLN N . 15983 1 153 . 1 1 18 18 CYS H H 1 8.53 0.03 . 1 . . . . 17 CYS H . 15983 1 154 . 1 1 18 18 CYS HA H 1 4.23 0.03 . 1 . . . . 17 CYS HA . 15983 1 155 . 1 1 18 18 CYS HB2 H 1 3.23 0.03 . 2 . . . . 17 CYS HB2 . 15983 1 156 . 1 1 18 18 CYS HB3 H 1 2.94 0.03 . 2 . . . . 17 CYS HB3 . 15983 1 157 . 1 1 18 18 CYS CA C 13 57.13 0.3 . 1 . . . . 17 CYS CA . 15983 1 158 . 1 1 18 18 CYS N N 15 114.86 0.3 . 1 . . . . 17 CYS N . 15983 1 159 . 1 1 19 19 LYS H H 1 7.57 0.03 . 1 . . . . 18 LYS H . 15983 1 160 . 1 1 19 19 LYS HA H 1 4.01 0.03 . 1 . . . . 18 LYS HA . 15983 1 161 . 1 1 19 19 LYS HB2 H 1 1.58 0.03 . 2 . . . . 18 LYS HB2 . 15983 1 162 . 1 1 19 19 LYS HB3 H 1 1.41 0.03 . 2 . . . . 18 LYS HB3 . 15983 1 163 . 1 1 19 19 LYS HD2 H 1 0.98 0.03 . 1 . . . . 18 LYS HD2 . 15983 1 164 . 1 1 19 19 LYS HD3 H 1 0.98 0.03 . 1 . . . . 18 LYS HD3 . 15983 1 165 . 1 1 19 19 LYS HE2 H 1 2.94 0.03 . 1 . . . . 18 LYS HE2 . 15983 1 166 . 1 1 19 19 LYS HE3 H 1 2.94 0.03 . 1 . . . . 18 LYS HE3 . 15983 1 167 . 1 1 19 19 LYS HG2 H 1 1.16 0.03 . 1 . . . . 18 LYS HG2 . 15983 1 168 . 1 1 19 19 LYS HG3 H 1 1.16 0.03 . 1 . . . . 18 LYS HG3 . 15983 1 169 . 1 1 19 19 LYS CA C 13 55.85 0.3 . 1 . . . . 18 LYS CA . 15983 1 170 . 1 1 19 19 LYS N N 15 115.60 0.3 . 1 . . . . 18 LYS N . 15983 1 171 . 1 1 20 20 HIS H H 1 7.78 0.03 . 1 . . . . 19 HIS H . 15983 1 172 . 1 1 20 20 HIS HA H 1 4.48 0.03 . 1 . . . . 19 HIS HA . 15983 1 173 . 1 1 20 20 HIS HB2 H 1 3.08 0.03 . 2 . . . . 19 HIS HB2 . 15983 1 174 . 1 1 20 20 HIS HB3 H 1 2.35 0.03 . 2 . . . . 19 HIS HB3 . 15983 1 175 . 1 1 20 20 HIS HD1 H 1 8.34 0.03 . 1 . . . . 19 HIS HD1 . 15983 1 176 . 1 1 20 20 HIS HD2 H 1 8.34 0.03 . 1 . . . . 19 HIS HD2 . 15983 1 177 . 1 1 20 20 HIS HE1 H 1 6.55 0.03 . 1 . . . . 19 HIS HE1 . 15983 1 178 . 1 1 20 20 HIS CA C 13 57.66 0.3 . 1 . . . . 19 HIS CA . 15983 1 179 . 1 1 20 20 HIS N N 15 113.02 0.3 . 1 . . . . 19 HIS N . 15983 1 180 . 1 1 21 21 SER H H 1 8.31 0.03 . 1 . . . . 20 SER H . 15983 1 181 . 1 1 21 21 SER HA H 1 4.99 0.03 . 1 . . . . 20 SER HA . 15983 1 182 . 1 1 21 21 SER HB2 H 1 3.86 0.03 . 2 . . . . 20 SER HB2 . 15983 1 183 . 1 1 21 21 SER HB3 H 1 4.07 0.03 . 2 . . . . 20 SER HB3 . 15983 1 184 . 1 1 21 21 SER CA C 13 59.19 0.3 . 1 . . . . 20 SER CA . 15983 1 185 . 1 1 21 21 SER N N 15 119.4 0.3 . 1 . . . . 20 SER N . 15983 1 186 . 1 1 22 22 NLE H H 1 8.99 0.03 . 1 . . . . 21 NLE H . 15983 1 187 . 1 1 22 22 NLE HA H 1 3.85 0.03 . 1 . . . . 21 NLE HA . 15983 1 188 . 1 1 22 22 NLE HB2 H 1 1.77 0.03 . 1 . . . . 21 NLE HB2 . 15983 1 189 . 1 1 22 22 NLE HB3 H 1 1.77 0.03 . 1 . . . . 21 NLE HB3 . 15983 1 190 . 1 1 22 22 NLE HD2 H 1 0.86 0.03 . 2 . . . . 21 NLE HD2 . 15983 1 191 . 1 1 22 22 NLE HD3 H 1 0.66 0.03 . 2 . . . . 21 NLE HD3 . 15983 1 192 . 1 1 22 22 NLE HG2 H 1 1.30 0.03 . 2 . . . . 21 NLE HG2 . 15983 1 193 . 1 1 22 22 NLE HG3 H 1 1.35 0.03 . 2 . . . . 21 NLE HG3 . 15983 1 194 . 1 1 22 22 NLE CA C 13 60.66 0.3 . 1 . . . . 21 NLE CA . 15983 1 195 . 1 1 22 22 NLE N N 15 132.41 0.3 . 1 . . . . 21 NLE N . 15983 1 196 . 1 1 23 23 LYS H H 1 8.21 0.03 . 1 . . . . 22 LYS H . 15983 1 197 . 1 1 23 23 LYS HA H 1 3.83 0.03 . 1 . . . . 22 LYS HA . 15983 1 198 . 1 1 23 23 LYS HB2 H 1 1.42 0.03 . 2 . . . . 22 LYS HB2 . 15983 1 199 . 1 1 23 23 LYS HB3 H 1 1.66 0.03 . 2 . . . . 22 LYS HB3 . 15983 1 200 . 1 1 23 23 LYS HD2 H 1 1.00 0.03 . 1 . . . . 22 LYS HD2 . 15983 1 201 . 1 1 23 23 LYS HD3 H 1 1.00 0.03 . 1 . . . . 22 LYS HD3 . 15983 1 202 . 1 1 23 23 LYS HE2 H 1 2.81 0.03 . 1 . . . . 22 LYS HE2 . 15983 1 203 . 1 1 23 23 LYS HE3 H 1 2.81 0.03 . 1 . . . . 22 LYS HE3 . 15983 1 204 . 1 1 23 23 LYS HG2 H 1 1.54 0.03 . 1 . . . . 22 LYS HG2 . 15983 1 205 . 1 1 23 23 LYS HG3 H 1 1.54 0.03 . 1 . . . . 22 LYS HG3 . 15983 1 206 . 1 1 23 23 LYS HZ1 H 1 7.48 0.03 . 1 . . . . 22 LYS HZ . 15983 1 207 . 1 1 23 23 LYS HZ2 H 1 7.48 0.03 . 1 . . . . 22 LYS HZ . 15983 1 208 . 1 1 23 23 LYS HZ3 H 1 7.48 0.03 . 1 . . . . 22 LYS HZ . 15983 1 209 . 1 1 23 23 LYS CA C 13 51.39 0.3 . 1 . . . . 22 LYS CA . 15983 1 210 . 1 1 23 23 LYS N N 15 118.1 0.3 . 1 . . . . 22 LYS N . 15983 1 211 . 1 1 24 24 TYR H H 1 7.99 0.03 . 1 . . . . 23 TYR H . 15983 1 212 . 1 1 24 24 TYR HA H 1 4.01 0.03 . 1 . . . . 23 TYR HA . 15983 1 213 . 1 1 24 24 TYR HB2 H 1 3.33 0.03 . 2 . . . . 23 TYR HB2 . 15983 1 214 . 1 1 24 24 TYR HB3 H 1 2.60 0.03 . 2 . . . . 23 TYR HB3 . 15983 1 215 . 1 1 24 24 TYR HD1 H 1 7.48 0.03 . 1 . . . . 23 TYR HD1 . 15983 1 216 . 1 1 24 24 TYR HD2 H 1 7.48 0.03 . 1 . . . . 23 TYR HD2 . 15983 1 217 . 1 1 24 24 TYR HE1 H 1 6.93 0.03 . 1 . . . . 23 TYR HE1 . 15983 1 218 . 1 1 24 24 TYR HE2 H 1 6.93 0.03 . 1 . . . . 23 TYR HE2 . 15983 1 219 . 1 1 24 24 TYR CA C 13 57.98 0.3 . 1 . . . . 23 TYR CA . 15983 1 220 . 1 1 24 24 TYR N N 15 120.07 0.3 . 1 . . . . 23 TYR N . 15983 1 221 . 1 1 25 25 ARG H H 1 8.09 0.03 . 1 . . . . 24 ARG H . 15983 1 222 . 1 1 25 25 ARG HA H 1 3.95 0.03 . 1 . . . . 24 ARG HA . 15983 1 223 . 1 1 25 25 ARG HB2 H 1 2.23 0.03 . 2 . . . . 24 ARG HB2 . 15983 1 224 . 1 1 25 25 ARG HB3 H 1 1.78 0.03 . 2 . . . . 24 ARG HB3 . 15983 1 225 . 1 1 25 25 ARG HD2 H 1 3.19 0.03 . 2 . . . . 24 ARG HD2 . 15983 1 226 . 1 1 25 25 ARG HD3 H 1 3.39 0.03 . 2 . . . . 24 ARG HD3 . 15983 1 227 . 1 1 25 25 ARG HE H 1 7.33 0.03 . 1 . . . . 24 ARG HE . 15983 1 228 . 1 1 25 25 ARG HG2 H 1 1.68 0.03 . 2 . . . . 24 ARG HG2 . 15983 1 229 . 1 1 25 25 ARG HG3 H 1 1.52 0.03 . 2 . . . . 24 ARG HG3 . 15983 1 230 . 1 1 25 25 ARG HH11 H 1 6.52 0.03 . 1 . . . . 24 ARG HH11 . 15983 1 231 . 1 1 25 25 ARG HH12 H 1 6.52 0.03 . 1 . . . . 24 ARG HH12 . 15983 1 232 . 1 1 25 25 ARG HH21 H 1 6.77 0.03 . 1 . . . . 24 ARG HH21 . 15983 1 233 . 1 1 25 25 ARG HH22 H 1 6.77 0.03 . 1 . . . . 24 ARG HH22 . 15983 1 234 . 1 1 25 25 ARG CA C 13 60.66 0.3 . 1 . . . . 24 ARG CA . 15983 1 235 . 1 1 25 25 ARG N N 15 117.34 0.3 . 1 . . . . 24 ARG N . 15983 1 236 . 1 1 26 26 LEU H H 1 8.34 0.03 . 1 . . . . 25 LEU H . 15983 1 237 . 1 1 26 26 LEU HA H 1 4.46 0.03 . 1 . . . . 25 LEU HA . 15983 1 238 . 1 1 26 26 LEU HB2 H 1 1.78 0.03 . 2 . . . . 25 LEU HB2 . 15983 1 239 . 1 1 26 26 LEU HB3 H 1 1.48 0.03 . 2 . . . . 25 LEU HB3 . 15983 1 240 . 1 1 26 26 LEU HD11 H 1 0.86 0.03 . 1 . . . . 25 LEU HD1 . 15983 1 241 . 1 1 26 26 LEU HD12 H 1 0.86 0.03 . 1 . . . . 25 LEU HD1 . 15983 1 242 . 1 1 26 26 LEU HD13 H 1 0.86 0.03 . 1 . . . . 25 LEU HD1 . 15983 1 243 . 1 1 26 26 LEU HD21 H 1 0.86 0.03 . 1 . . . . 25 LEU HD2 . 15983 1 244 . 1 1 26 26 LEU HD22 H 1 0.86 0.03 . 1 . . . . 25 LEU HD2 . 15983 1 245 . 1 1 26 26 LEU HD23 H 1 0.86 0.03 . 1 . . . . 25 LEU HD2 . 15983 1 246 . 1 1 26 26 LEU HG H 1 1.68 0.03 . 1 . . . . 25 LEU HG . 15983 1 247 . 1 1 26 26 LEU CA C 13 57.67 0.3 . 1 . . . . 25 LEU CA . 15983 1 248 . 1 1 26 26 LEU N N 15 111.65 0.3 . 1 . . . . 25 LEU N . 15983 1 249 . 1 1 27 27 SER H H 1 7.48 0.03 . 1 . . . . 26 SER H . 15983 1 250 . 1 1 27 27 SER HA H 1 4.77 0.03 . 1 . . . . 26 SER HA . 15983 1 251 . 1 1 27 27 SER HB2 H 1 3.57 0.03 . 2 . . . . 26 SER HB2 . 15983 1 252 . 1 1 27 27 SER HB3 H 1 3.45 0.03 . 2 . . . . 26 SER HB3 . 15983 1 253 . 1 1 27 27 SER CA C 13 58.89 0.3 . 1 . . . . 26 SER CA . 15983 1 254 . 1 1 27 27 SER N N 15 120.33 0.3 . 1 . . . . 26 SER N . 15983 1 255 . 1 1 28 28 PHE H H 1 7.57 0.03 . 1 . . . . 27 PHE H . 15983 1 256 . 1 1 28 28 PHE HA H 1 5.31 0.03 . 1 . . . . 27 PHE HA . 15983 1 257 . 1 1 28 28 PHE HB2 H 1 3.20 0.03 . 2 . . . . 27 PHE HB2 . 15983 1 258 . 1 1 28 28 PHE HB3 H 1 2.56 0.03 . 2 . . . . 27 PHE HB3 . 15983 1 259 . 1 1 28 28 PHE HD1 H 1 6.19 0.03 . 1 . . . . 27 PHE HD1 . 15983 1 260 . 1 1 28 28 PHE HD2 H 1 6.19 0.03 . 1 . . . . 27 PHE HD2 . 15983 1 261 . 1 1 28 28 PHE HE1 H 1 7.12 0.03 . 1 . . . . 27 PHE HE1 . 15983 1 262 . 1 1 28 28 PHE HE2 H 1 7.12 0.03 . 1 . . . . 27 PHE HE2 . 15983 1 263 . 1 1 28 28 PHE HZ H 1 7.19 0.03 . 1 . . . . 27 PHE HZ . 15983 1 264 . 1 1 28 28 PHE CA C 13 57.1 0.3 . 1 . . . . 27 PHE CA . 15983 1 265 . 1 1 28 28 PHE N N 15 119.10 0.3 . 1 . . . . 27 PHE N . 15983 1 266 . 1 1 29 29 CYS H H 1 8.7 0.03 . 1 . . . . 28 CYS H . 15983 1 267 . 1 1 29 29 CYS HA H 1 5.85 0.03 . 1 . . . . 28 CYS HA . 15983 1 268 . 1 1 29 29 CYS HB2 H 1 3.29 0.03 . 2 . . . . 28 CYS HB2 . 15983 1 269 . 1 1 29 29 CYS HB3 H 1 3.18 0.03 . 2 . . . . 28 CYS HB3 . 15983 1 270 . 1 1 29 29 CYS CA C 13 54.17 0.3 . 1 . . . . 28 CYS CA . 15983 1 271 . 1 1 29 29 CYS N N 15 116.94 0.3 . 1 . . . . 28 CYS N . 15983 1 272 . 1 1 30 30 ARG H H 1 8.45 0.03 . 1 . . . . 29 ARG H . 15983 1 273 . 1 1 30 30 ARG HA H 1 3.93 0.03 . 1 . . . . 29 ARG HA . 15983 1 274 . 1 1 30 30 ARG HB2 H 1 1.76 0.03 . 2 . . . . 29 ARG HB2 . 15983 1 275 . 1 1 30 30 ARG HB3 H 1 1.66 0.03 . 2 . . . . 29 ARG HB3 . 15983 1 276 . 1 1 30 30 ARG HD2 H 1 3.29 0.03 . 2 . . . . 29 ARG HD2 . 15983 1 277 . 1 1 30 30 ARG HD3 H 1 3.39 0.03 . 2 . . . . 29 ARG HD3 . 15983 1 278 . 1 1 30 30 ARG HE H 1 7.17 0.03 . 1 . . . . 29 ARG HE . 15983 1 279 . 1 1 30 30 ARG HG2 H 1 1.49 0.03 . 1 . . . . 29 ARG HG2 . 15983 1 280 . 1 1 30 30 ARG HG3 H 1 1.49 0.03 . 1 . . . . 29 ARG HG3 . 15983 1 281 . 1 1 30 30 ARG HH11 H 1 6.65 0.03 . 1 . . . . 29 ARG HH11 . 15983 1 282 . 1 1 30 30 ARG HH12 H 1 6.65 0.03 . 1 . . . . 29 ARG HH12 . 15983 1 283 . 1 1 30 30 ARG HH21 H 1 7.21 0.03 . 1 . . . . 29 ARG HH21 . 15983 1 284 . 1 1 30 30 ARG HH22 H 1 7.21 0.03 . 1 . . . . 29 ARG HH22 . 15983 1 285 . 1 1 30 30 ARG CA C 13 60.33 0.3 . 1 . . . . 29 ARG CA . 15983 1 286 . 1 1 30 30 ARG N N 15 119.05 0.3 . 1 . . . . 29 ARG N . 15983 1 287 . 1 1 31 31 LYS H H 1 7.25 0.03 . 1 . . . . 30 LYS H . 15983 1 288 . 1 1 31 31 LYS HA H 1 4.15 0.03 . 1 . . . . 30 LYS HA . 15983 1 289 . 1 1 31 31 LYS HB2 H 1 1.84 0.03 . 1 . . . . 30 LYS HB2 . 15983 1 290 . 1 1 31 31 LYS HB3 H 1 1.84 0.03 . 1 . . . . 30 LYS HB3 . 15983 1 291 . 1 1 31 31 LYS HD2 H 1 1.66 0.03 . 1 . . . . 30 LYS HD2 . 15983 1 292 . 1 1 31 31 LYS HD3 H 1 1.66 0.03 . 1 . . . . 30 LYS HD3 . 15983 1 293 . 1 1 31 31 LYS HE2 H 1 3.01 0.03 . 1 . . . . 30 LYS HE2 . 15983 1 294 . 1 1 31 31 LYS HE3 H 1 3.01 0.03 . 1 . . . . 30 LYS HE3 . 15983 1 295 . 1 1 31 31 LYS HG2 H 1 1.32 0.03 . 1 . . . . 30 LYS HG2 . 15983 1 296 . 1 1 31 31 LYS HG3 H 1 1.32 0.03 . 1 . . . . 30 LYS HG3 . 15983 1 297 . 1 1 31 31 LYS HZ1 H 1 7.49 0.03 . 1 . . . . 30 LYS HZ . 15983 1 298 . 1 1 31 31 LYS HZ2 H 1 7.49 0.03 . 1 . . . . 30 LYS HZ . 15983 1 299 . 1 1 31 31 LYS HZ3 H 1 7.49 0.03 . 1 . . . . 30 LYS HZ . 15983 1 300 . 1 1 31 31 LYS CA C 13 59.02 0.3 . 1 . . . . 30 LYS CA . 15983 1 301 . 1 1 31 31 LYS N N 15 116.24 0.3 . 1 . . . . 30 LYS N . 15983 1 302 . 1 1 32 32 THR H H 1 10.89 0.03 . 1 . . . . 31 THR H . 15983 1 303 . 1 1 32 32 THR HA H 1 3.86 0.03 . 1 . . . . 31 THR HA . 15983 1 304 . 1 1 32 32 THR HB H 1 4.07 0.03 . 1 . . . . 31 THR HB . 15983 1 305 . 1 1 32 32 THR HG21 H 1 1.31 0.03 . 1 . . . . 31 THR HG2 . 15983 1 306 . 1 1 32 32 THR HG22 H 1 1.31 0.03 . 1 . . . . 31 THR HG2 . 15983 1 307 . 1 1 32 32 THR HG23 H 1 1.31 0.03 . 1 . . . . 31 THR HG2 . 15983 1 308 . 1 1 32 32 THR CA C 13 60.65 0.3 . 1 . . . . 31 THR CA . 15983 1 309 . 1 1 32 32 THR N N 15 124.41 0.3 . 1 . . . . 31 THR N . 15983 1 310 . 1 1 33 33 CYS H H 1 9.13 0.03 . 1 . . . . 32 CYS H . 15983 1 311 . 1 1 33 33 CYS HA H 1 4.79 0.03 . 1 . . . . 32 CYS HA . 15983 1 312 . 1 1 33 33 CYS HB2 H 1 3.33 0.03 . 2 . . . . 32 CYS HB2 . 15983 1 313 . 1 1 33 33 CYS HB3 H 1 2.93 0.03 . 2 . . . . 32 CYS HB3 . 15983 1 314 . 1 1 33 33 CYS CA C 13 55.24 0.3 . 1 . . . . 32 CYS CA . 15983 1 315 . 1 1 33 33 CYS N N 15 114.2 0.3 . 1 . . . . 32 CYS N . 15983 1 316 . 1 1 34 34 GLY H H 1 7.82 0.03 . 1 . . . . 33 GLY H . 15983 1 317 . 1 1 34 34 GLY HA2 H 1 4.05 0.03 . 1 . . . . 33 GLY HA2 . 15983 1 318 . 1 1 34 34 GLY HA3 H 1 4.05 0.03 . 1 . . . . 33 GLY HA3 . 15983 1 319 . 1 1 34 34 GLY CA C 13 46.96 0.3 . 1 . . . . 33 GLY CA . 15983 1 320 . 1 1 34 34 GLY N N 15 109.12 0.3 . 1 . . . . 33 GLY N . 15983 1 321 . 1 1 35 35 THR H H 1 8.61 0.03 . 1 . . . . 34 THR H . 15983 1 322 . 1 1 35 35 THR HA H 1 4.16 0.03 . 1 . . . . 34 THR HA . 15983 1 323 . 1 1 35 35 THR HB H 1 4.43 0.03 . 1 . . . . 34 THR HB . 15983 1 324 . 1 1 35 35 THR HG21 H 1 1.15 0.03 . 1 . . . . 34 THR HG2 . 15983 1 325 . 1 1 35 35 THR HG22 H 1 1.15 0.03 . 1 . . . . 34 THR HG2 . 15983 1 326 . 1 1 35 35 THR HG23 H 1 1.15 0.03 . 1 . . . . 34 THR HG2 . 15983 1 327 . 1 1 35 35 THR CA C 13 63.1 0.3 . 1 . . . . 34 THR CA . 15983 1 328 . 1 1 35 35 THR N N 15 123.2 0.3 . 1 . . . . 34 THR N . 15983 1 329 . 1 1 36 36 CYS H H 1 8.04 0.03 . 1 . . . . 35 CYS H . 15983 1 330 . 1 1 36 36 CYS HA H 1 4.56 0.03 . 1 . . . . 35 CYS HA . 15983 1 331 . 1 1 36 36 CYS HB2 H 1 3.08 0.03 . 2 . . . . 35 CYS HB2 . 15983 1 332 . 1 1 36 36 CYS HB3 H 1 3.31 0.03 . 2 . . . . 35 CYS HB3 . 15983 1 333 . 1 1 36 36 CYS CA C 13 54.59 0.03 . 1 . . . . 35 CYS CA . 15983 1 334 . 1 1 37 37 NH2 N N 15 117.51 0.3 . 1 . . . . 35 CYS N . 15983 1 335 . 1 1 37 37 NH2 HN1 H 1 7.64 0.3 . 2 . . . . 35 CYS H1 . 15983 1 336 . 1 1 37 37 NH2 HN2 H 1 7.17 0.3 . 2 . . . . 35 CYS H2 . 15983 1 stop_ save_