################################### # 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 30979 _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 0.02 _Assigned_chem_shift_list.Chem_shift_13C_err 0.2 _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 '2D 1H-15N HSQC' . . . 30979 1 2 '2D 1H-1H NOESY' . . . 30979 1 3 '2D 1H-1H TOCSY' . . . 30979 1 4 '3D 1H-15N NOESY' . . . 30979 1 5 '3D 1H-15N TOCSY' . . . 30979 1 6 '2D 1H-13C HSQC aliphatic' . . . 30979 1 7 '2D 1H-15N HSQC' . . . 30979 1 8 '2D 1H-1H COSY' . . . 30979 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 ALA HA H 1 4.17 0.02 . 1 . . . . A 0 ALA HA . 30979 1 2 . 1 . 1 1 1 ALA HB1 H 1 1.55 0.02 . 1 . . . . A 0 ALA HB1 . 30979 1 3 . 1 . 1 1 1 ALA HB2 H 1 1.55 0.02 . 1 . . . . A 0 ALA HB2 . 30979 1 4 . 1 . 1 1 1 ALA HB3 H 1 1.55 0.02 . 1 . . . . A 0 ALA HB3 . 30979 1 5 . 1 . 1 1 1 ALA CA C 13 51.4 0.2 . 1 . . . . A 0 ALA CA . 30979 1 6 . 1 . 1 1 1 ALA CB C 13 19.3 0.2 . 1 . . . . A 0 ALA CB . 30979 1 7 . 1 . 1 2 2 THR H H 1 8.63 0.02 . 1 . . . . A 1 THR H . 30979 1 8 . 1 . 1 2 2 THR HA H 1 4.38 0.02 . 1 . . . . A 1 THR HA . 30979 1 9 . 1 . 1 2 2 THR HB H 1 4.14 0.02 . 1 . . . . A 1 THR HB . 30979 1 10 . 1 . 1 2 2 THR HG1 H 1 4.14 0.02 . 1 . . . . A 1 THR HG1 . 30979 1 11 . 1 . 1 2 2 THR HG21 H 1 1.24 0.02 . 1 . . . . A 1 THR HG21 . 30979 1 12 . 1 . 1 2 2 THR HG22 H 1 1.24 0.02 . 1 . . . . A 1 THR HG22 . 30979 1 13 . 1 . 1 2 2 THR HG23 H 1 1.24 0.02 . 1 . . . . A 1 THR HG23 . 30979 1 14 . 1 . 1 2 2 THR CA C 13 61.6 0.2 . 1 . . . . A 1 THR CA . 30979 1 15 . 1 . 1 2 2 THR CB C 13 69.6 0.2 . 1 . . . . A 1 THR CB . 30979 1 16 . 1 . 1 2 2 THR CG2 C 13 21.5 0.2 . 1 . . . . A 1 THR CG2 . 30979 1 17 . 1 . 1 2 2 THR N N 15 115.2 0.2 . 1 . . . . A 1 THR N . 30979 1 18 . 1 . 1 3 3 LYS H H 1 8.57 0.02 . 1 . . . . A 2 LYS H . 30979 1 19 . 1 . 1 3 3 LYS HA H 1 4.66 0.02 . 1 . . . . A 2 LYS HA . 30979 1 20 . 1 . 1 3 3 LYS HB2 H 1 1.88 0.02 . 2 . . . . A 2 LYS HB2 . 30979 1 21 . 1 . 1 3 3 LYS HB3 H 1 1.78 0.02 . 2 . . . . A 2 LYS HB3 . 30979 1 22 . 1 . 1 3 3 LYS HE2 H 1 3.04 0.02 . 2 . . . . A 2 LYS HE2 . 30979 1 23 . 1 . 1 3 3 LYS HE3 H 1 3.04 0.02 . 2 . . . . A 2 LYS HE3 . 30979 1 24 . 1 . 1 3 3 LYS CA C 13 54.0 0.2 . 1 . . . . A 2 LYS CA . 30979 1 25 . 1 . 1 3 3 LYS CB C 13 32.4 0.2 . 1 . . . . A 2 LYS CB . 30979 1 26 . 1 . 1 3 3 LYS CE C 13 41.6 0.2 . 1 . . . . A 2 LYS CE . 30979 1 27 . 1 . 1 3 3 LYS N N 15 125.7 0.2 . 1 . . . . A 2 LYS N . 30979 1 28 . 1 . 1 4 4 PRO HA H 1 4.44 0.02 . 1 . . . . A 3 PRO HA . 30979 1 29 . 1 . 1 4 4 PRO HB2 H 1 2.26 0.02 . 2 . . . . A 3 PRO HB2 . 30979 1 30 . 1 . 1 4 4 PRO HB3 H 1 2.04 0.02 . 2 . . . . A 3 PRO HB3 . 30979 1 31 . 1 . 1 4 4 PRO HG2 H 1 2.04 0.02 . 2 . . . . A 3 PRO HG2 . 30979 1 32 . 1 . 1 4 4 PRO HG3 H 1 2.04 0.02 . 2 . . . . A 3 PRO HG3 . 30979 1 33 . 1 . 1 4 4 PRO HD2 H 1 3.87 0.02 . 2 . . . . A 3 PRO HD2 . 30979 1 34 . 1 . 1 4 4 PRO HD3 H 1 3.71 0.02 . 2 . . . . A 3 PRO HD3 . 30979 1 35 . 1 . 1 4 4 PRO CA C 13 62.8 0.2 . 1 . . . . A 3 PRO CA . 30979 1 36 . 1 . 1 4 4 PRO CB C 13 31.9 0.2 . 1 . . . . A 3 PRO CB . 30979 1 37 . 1 . 1 4 4 PRO CG C 13 27.1 0.2 . 1 . . . . A 3 PRO CG . 30979 1 38 . 1 . 1 4 4 PRO CD C 13 50.4 0.2 . 1 . . . . A 3 PRO CD . 30979 1 39 . 1 . 1 5 5 CYS H H 1 8.54 0.02 . 1 . . . . A 4 CYS H . 30979 1 40 . 1 . 1 5 5 CYS HA H 1 4.64 0.02 . 1 . . . . A 4 CYS HA . 30979 1 41 . 1 . 1 5 5 CYS HB2 H 1 3.33 0.02 . 2 . . . . A 4 CYS HB2 . 30979 1 42 . 1 . 1 5 5 CYS HB3 H 1 3.07 0.02 . 2 . . . . A 4 CYS HB3 . 30979 1 43 . 1 . 1 5 5 CYS CB C 13 42.7 0.2 . 1 . . . . A 4 CYS CB . 30979 1 44 . 1 . 1 5 5 CYS N N 15 119.0 0.2 . 1 . . . . A 4 CYS N . 30979 1 45 . 1 . 1 6 6 GLN H H 1 8.99 0.02 . 1 . . . . A 5 GLN H . 30979 1 46 . 1 . 1 6 6 GLN HA H 1 3.10 0.02 . 1 . . . . A 5 GLN HA . 30979 1 47 . 1 . 1 6 6 GLN HB2 H 1 2.20 0.02 . 2 . . . . A 5 GLN HB2 . 30979 1 48 . 1 . 1 6 6 GLN HB3 H 1 2.04 0.02 . 2 . . . . A 5 GLN HB3 . 30979 1 49 . 1 . 1 6 6 GLN HG2 H 1 2.39 0.02 . 2 . . . . A 5 GLN HG2 . 30979 1 50 . 1 . 1 6 6 GLN HG3 H 1 2.39 0.02 . 2 . . . . A 5 GLN HG3 . 30979 1 51 . 1 . 1 6 6 GLN HE21 H 1 7.62 0.02 . 2 . . . . A 5 GLN HE21 . 30979 1 52 . 1 . 1 6 6 GLN HE22 H 1 6.93 0.02 . 2 . . . . A 5 GLN HE22 . 30979 1 53 . 1 . 1 6 6 GLN CA C 13 56.7 0.2 . 1 . . . . A 5 GLN CA . 30979 1 54 . 1 . 1 6 6 GLN CB C 13 29.3 0.2 . 1 . . . . A 5 GLN CB . 30979 1 55 . 1 . 1 6 6 GLN CG C 13 33.8 0.2 . 1 . . . . A 5 GLN CG . 30979 1 56 . 1 . 1 6 6 GLN N N 15 121.7 0.2 . 1 . . . . A 5 GLN N . 30979 1 57 . 1 . 1 6 6 GLN NE2 N 15 112.7 0.2 . 1 . . . . A 5 GLN NE2 . 30979 1 58 . 1 . 1 7 7 SER H H 1 8.12 0.02 . 1 . . . . A 6 SER H . 30979 1 59 . 1 . 1 7 7 SER HA H 1 4.53 0.02 . 1 . . . . A 6 SER HA . 30979 1 60 . 1 . 1 7 7 SER HB2 H 1 4.00 0.02 . 2 . . . . A 6 SER HB2 . 30979 1 61 . 1 . 1 7 7 SER HB3 H 1 3.94 0.02 . 2 . . . . A 6 SER HB3 . 30979 1 62 . 1 . 1 7 7 SER CA C 13 57.6 0.2 . 1 . . . . A 6 SER CA . 30979 1 63 . 1 . 1 7 7 SER CB C 13 64.0 0.2 . 1 . . . . A 6 SER CB . 30979 1 64 . 1 . 1 7 7 SER N N 15 114.2 0.2 . 1 . . . . A 6 SER N . 30979 1 65 . 1 . 1 8 8 ASP H H 1 8.52 0.02 . 1 . . . . A 7 ASP H . 30979 1 66 . 1 . 1 8 8 ASP HA H 1 4.53 0.02 . 1 . . . . A 7 ASP HA . 30979 1 67 . 1 . 1 8 8 ASP HB2 H 1 2.72 0.02 . 2 . . . . A 7 ASP HB2 . 30979 1 68 . 1 . 1 8 8 ASP HB3 H 1 2.72 0.02 . 2 . . . . A 7 ASP HB3 . 30979 1 69 . 1 . 1 8 8 ASP CA C 13 55.2 0.2 . 1 . . . . A 7 ASP CA . 30979 1 70 . 1 . 1 8 8 ASP CB C 13 40.8 0.2 . 1 . . . . A 7 ASP CB . 30979 1 71 . 1 . 1 8 8 ASP N N 15 121.4 0.2 . 1 . . . . A 7 ASP N . 30979 1 72 . 1 . 1 9 9 LYS H H 1 8.24 0.02 . 1 . . . . A 8 LYS H . 30979 1 73 . 1 . 1 9 9 LYS HA H 1 4.20 0.02 . 1 . . . . A 8 LYS HA . 30979 1 74 . 1 . 1 9 9 LYS HB2 H 1 1.80 0.02 . 2 . . . . A 8 LYS HB2 . 30979 1 75 . 1 . 1 9 9 LYS HB3 H 1 1.80 0.02 . 2 . . . . A 8 LYS HB3 . 30979 1 76 . 1 . 1 9 9 LYS HE2 H 1 3.02 0.02 . 2 . . . . A 8 LYS HE2 . 30979 1 77 . 1 . 1 9 9 LYS HE3 H 1 3.02 0.02 . 2 . . . . A 8 LYS HE3 . 30979 1 78 . 1 . 1 9 9 LYS CA C 13 57.4 0.2 . 1 . . . . A 8 LYS CA . 30979 1 79 . 1 . 1 9 9 LYS CB C 13 32.4 0.2 . 1 . . . . A 8 LYS CB . 30979 1 80 . 1 . 1 9 9 LYS CE C 13 41.6 0.2 . 1 . . . . A 8 LYS CE . 30979 1 81 . 1 . 1 9 9 LYS N N 15 119.5 0.2 . 1 . . . . A 8 LYS N . 30979 1 82 . 1 . 1 10 10 ASP H H 1 8.10 0.02 . 1 . . . . A 9 ASP H . 30979 1 83 . 1 . 1 10 10 ASP HA H 1 4.64 0.02 . 1 . . . . A 9 ASP HA . 30979 1 84 . 1 . 1 10 10 ASP HB2 H 1 2.70 0.02 . 2 . . . . A 9 ASP HB2 . 30979 1 85 . 1 . 1 10 10 ASP HB3 H 1 2.79 0.02 . 2 . . . . A 9 ASP HB3 . 30979 1 86 . 1 . 1 10 10 ASP CB C 13 41.0 0.2 . 1 . . . . A 9 ASP CB . 30979 1 87 . 1 . 1 10 10 ASP N N 15 118.0 0.2 . 1 . . . . A 9 ASP N . 30979 1 88 . 1 . 1 11 11 CYS HA H 1 4.64 0.02 . 1 . . . . A 10 CYS HA . 30979 1 89 . 1 . 1 11 11 CYS HB2 H 1 3.31 0.02 . 2 . . . . A 10 CYS HB2 . 30979 1 90 . 1 . 1 11 11 CYS HB3 H 1 3.16 0.02 . 2 . . . . A 10 CYS HB3 . 30979 1 91 . 1 . 1 11 11 CYS CA C 13 56.1 0.2 . 1 . . . . A 10 CYS CA . 30979 1 92 . 1 . 1 11 11 CYS CB C 13 40.9 0.2 . 1 . . . . A 10 CYS CB . 30979 1 93 . 1 . 1 12 12 LYS H H 1 8.30 0.02 . 1 . . . . A 11 LYS H . 30979 1 94 . 1 . 1 12 12 LYS HA H 1 4.27 0.02 . 1 . . . . A 11 LYS HA . 30979 1 95 . 1 . 1 12 12 LYS HB2 H 1 1.82 0.02 . 2 . . . . A 11 LYS HB2 . 30979 1 96 . 1 . 1 12 12 LYS HE2 H 1 3.02 0.02 . 2 . . . . A 11 LYS HE2 . 30979 1 97 . 1 . 1 12 12 LYS HE3 H 1 3.02 0.02 . 2 . . . . A 11 LYS HE3 . 30979 1 98 . 1 . 1 12 12 LYS CA C 13 56.7 0.2 . 1 . . . . A 11 LYS CA . 30979 1 99 . 1 . 1 12 12 LYS CE C 13 41.5 0.2 . 1 . . . . A 11 LYS CE . 30979 1 100 . 1 . 1 12 12 LYS N N 15 121.6 0.2 . 1 . . . . A 11 LYS N . 30979 1 101 . 1 . 1 13 13 LYS H H 1 8.04 0.02 . 1 . . . . A 12 LYS H . 30979 1 102 . 1 . 1 13 13 LYS HA H 1 4.26 0.02 . 1 . . . . A 12 LYS HA . 30979 1 103 . 1 . 1 13 13 LYS HB2 H 1 1.76 0.02 . 2 . . . . A 12 LYS HB2 . 30979 1 104 . 1 . 1 13 13 LYS HE2 H 1 3.02 0.02 . 2 . . . . A 12 LYS HE2 . 30979 1 105 . 1 . 1 13 13 LYS HE3 H 1 3.02 0.02 . 2 . . . . A 12 LYS HE3 . 30979 1 106 . 1 . 1 13 13 LYS CA C 13 55.9 0.2 . 1 . . . . A 12 LYS CA . 30979 1 107 . 1 . 1 13 13 LYS CE C 13 41.6 0.2 . 1 . . . . A 12 LYS CE . 30979 1 108 . 1 . 1 13 13 LYS N N 15 120.8 0.2 . 1 . . . . A 12 LYS N . 30979 1 109 . 1 . 1 14 14 PHE H H 1 8.14 0.02 . 1 . . . . A 13 PHE H . 30979 1 110 . 1 . 1 14 14 PHE HA H 1 4.39 0.01 . 1 . . . . A 13 PHE HA . 30979 1 111 . 1 . 1 14 14 PHE HB2 H 1 3.03 0.02 . 2 . . . . A 13 PHE HB2 . 30979 1 112 . 1 . 1 14 14 PHE HB3 H 1 2.97 0.02 . 2 . . . . A 13 PHE HB3 . 30979 1 113 . 1 . 1 14 14 PHE HD1 H 1 7.14 0.02 . 3 . . . . A 13 PHE HD1 . 30979 1 114 . 1 . 1 14 14 PHE HD2 H 1 7.14 0.02 . 3 . . . . A 13 PHE HD2 . 30979 1 115 . 1 . 1 14 14 PHE HE1 H 1 7.19 0.02 . 3 . . . . A 13 PHE HE1 . 30979 1 116 . 1 . 1 14 14 PHE HE2 H 1 7.19 0.02 . 3 . . . . A 13 PHE HE2 . 30979 1 117 . 1 . 1 14 14 PHE CA C 13 58.4 0.2 . 1 . . . . A 13 PHE CA . 30979 1 118 . 1 . 1 14 14 PHE CB C 13 39.6 0.2 . 1 . . . . A 13 PHE CB . 30979 1 119 . 1 . 1 14 14 PHE N N 15 123.0 0.2 . 1 . . . . A 13 PHE N . 30979 1 120 . 1 . 1 15 15 ALA H H 1 7.77 0.02 . 1 . . . . A 14 ALA H . 30979 1 121 . 1 . 1 15 15 ALA HA H 1 4.39 0.02 . 1 . . . . A 14 ALA HA . 30979 1 122 . 1 . 1 15 15 ALA HB1 H 1 1.25 0.02 . 1 . . . . A 14 ALA HB1 . 30979 1 123 . 1 . 1 15 15 ALA HB2 H 1 1.25 0.02 . 1 . . . . A 14 ALA HB2 . 30979 1 124 . 1 . 1 15 15 ALA HB3 H 1 1.25 0.02 . 1 . . . . A 14 ALA HB3 . 30979 1 125 . 1 . 1 15 15 ALA CA C 13 51.2 0.2 . 1 . . . . A 14 ALA CA . 30979 1 126 . 1 . 1 15 15 ALA CB C 13 20.7 0.2 . 1 . . . . A 14 ALA CB . 30979 1 127 . 1 . 1 15 15 ALA N N 15 128.2 0.2 . 1 . . . . A 14 ALA N . 30979 1 128 . 1 . 1 16 16 CYS H H 1 8.44 0.02 . 1 . . . . A 15 CYS H . 30979 1 129 . 1 . 1 16 16 CYS HA H 1 4.76 0.02 . 1 . . . . A 15 CYS HA . 30979 1 130 . 1 . 1 16 16 CYS HB2 H 1 2.63 0.02 . 2 . . . . A 15 CYS HB2 . 30979 1 131 . 1 . 1 16 16 CYS HB3 H 1 2.37 0.02 . 2 . . . . A 15 CYS HB3 . 30979 1 132 . 1 . 1 16 16 CYS CA C 13 52.7 0.2 . 1 . . . . A 15 CYS CA . 30979 1 133 . 1 . 1 16 16 CYS CB C 13 41.2 0.2 . 1 . . . . A 15 CYS CB . 30979 1 134 . 1 . 1 16 16 CYS N N 15 117.1 0.2 . 1 . . . . A 15 CYS N . 30979 1 135 . 1 . 1 17 17 ARG H H 1 8.82 0.02 . 1 . . . . A 16 ARG H . 30979 1 136 . 1 . 1 17 17 ARG HA H 1 4.41 0.02 . 1 . . . . A 16 ARG HA . 30979 1 137 . 1 . 1 17 17 ARG HB2 H 1 1.83 0.02 . 2 . . . . A 16 ARG HB2 . 30979 1 138 . 1 . 1 17 17 ARG HB3 H 1 1.73 0.02 . 2 . . . . A 16 ARG HB3 . 30979 1 139 . 1 . 1 17 17 ARG HD2 H 1 3.24 0.02 . 2 . . . . A 16 ARG HD2 . 30979 1 140 . 1 . 1 17 17 ARG HD3 H 1 3.24 0.02 . 2 . . . . A 16 ARG HD3 . 30979 1 141 . 1 . 1 17 17 ARG CA C 13 55.1 0.4 . 1 . . . . A 16 ARG CA . 30979 1 142 . 1 . 1 17 17 ARG CD C 13 42.9 0.2 . 1 . . . . A 16 ARG CD . 30979 1 143 . 1 . 1 17 17 ARG N N 15 124.8 0.2 . 1 . . . . A 16 ARG N . 30979 1 144 . 1 . 1 18 18 LYS H H 1 8.76 0.02 . 1 . . . . A 17 LYS H . 30979 1 145 . 1 . 1 18 18 LYS HA H 1 4.40 0.02 . 1 . . . . A 17 LYS HA . 30979 1 146 . 1 . 1 18 18 LYS HB3 H 1 1.81 0.02 . 2 . . . . A 17 LYS HB3 . 30979 1 147 . 1 . 1 18 18 LYS HE2 H 1 3.05 0.02 . 2 . . . . A 17 LYS HE2 . 30979 1 148 . 1 . 1 18 18 LYS HE3 H 1 3.05 0.02 . 2 . . . . A 17 LYS HE3 . 30979 1 149 . 1 . 1 18 18 LYS CA C 13 55.1 0.4 . 1 . . . . A 17 LYS CA . 30979 1 150 . 1 . 1 18 18 LYS CE C 13 41.6 0.2 . 1 . . . . A 17 LYS CE . 30979 1 151 . 1 . 1 18 18 LYS N N 15 127.7 0.2 . 1 . . . . A 17 LYS N . 30979 1 152 . 1 . 1 19 19 PRO HA H 1 4.57 0.02 . 1 . . . . A 18 PRO HA . 30979 1 153 . 1 . 1 19 19 PRO HB2 H 1 2.40 0.02 . 2 . . . . A 18 PRO HB2 . 30979 1 154 . 1 . 1 19 19 PRO HB3 H 1 2.23 0.02 . 2 . . . . A 18 PRO HB3 . 30979 1 155 . 1 . 1 19 19 PRO HG2 H 1 2.06 0.02 . 2 . . . . A 18 PRO HG2 . 30979 1 156 . 1 . 1 19 19 PRO HG3 H 1 1.62 0.02 . 2 . . . . A 18 PRO HG3 . 30979 1 157 . 1 . 1 19 19 PRO HD2 H 1 3.59 0.02 . 2 . . . . A 18 PRO HD2 . 30979 1 158 . 1 . 1 19 19 PRO HD3 H 1 3.55 0.02 . 2 . . . . A 18 PRO HD3 . 30979 1 159 . 1 . 1 19 19 PRO CA C 13 63.6 0.2 . 1 . . . . A 18 PRO CA . 30979 1 160 . 1 . 1 19 19 PRO CB C 13 33.5 0.2 . 1 . . . . A 18 PRO CB . 30979 1 161 . 1 . 1 19 19 PRO CG C 13 24.2 0.2 . 1 . . . . A 18 PRO CG . 30979 1 162 . 1 . 1 19 19 PRO CD C 13 49.6 0.2 . 1 . . . . A 18 PRO CD . 30979 1 163 . 1 . 1 20 20 LYS H H 1 8.63 0.02 . 1 . . . . A 19 LYS H . 30979 1 164 . 1 . 1 20 20 LYS HA H 1 4.46 0.02 . 1 . . . . A 19 LYS HA . 30979 1 165 . 1 . 1 20 20 LYS HB2 H 1 1.92 0.02 . 2 . . . . A 19 LYS HB2 . 30979 1 166 . 1 . 1 20 20 LYS HB3 H 1 1.55 0.02 . 2 . . . . A 19 LYS HB3 . 30979 1 167 . 1 . 1 20 20 LYS HG2 H 1 1.57 0.02 . 2 . . . . A 19 LYS HG2 . 30979 1 168 . 1 . 1 20 20 LYS HG3 H 1 1.09 0.02 . 2 . . . . A 19 LYS HG3 . 30979 1 169 . 1 . 1 20 20 LYS HD2 H 1 1.66 0.02 . 2 . . . . A 19 LYS HD2 . 30979 1 170 . 1 . 1 20 20 LYS HD3 H 1 1.47 0.02 . 2 . . . . A 19 LYS HD3 . 30979 1 171 . 1 . 1 20 20 LYS HE2 H 1 2.94 0.02 . 2 . . . . A 19 LYS HE2 . 30979 1 172 . 1 . 1 20 20 LYS HE3 H 1 2.94 0.02 . 2 . . . . A 19 LYS HE3 . 30979 1 173 . 1 . 1 20 20 LYS CA C 13 57.6 0.2 . 1 . . . . A 19 LYS CA . 30979 1 174 . 1 . 1 20 20 LYS CB C 13 33.9 0.2 . 1 . . . . A 19 LYS CB . 30979 1 175 . 1 . 1 20 20 LYS CG C 13 26.7 0.2 . 1 . . . . A 19 LYS CG . 30979 1 176 . 1 . 1 20 20 LYS CE C 13 41.6 0.2 . 1 . . . . A 19 LYS CE . 30979 1 177 . 1 . 1 20 20 LYS N N 15 125.2 0.2 . 1 . . . . A 19 LYS N . 30979 1 178 . 1 . 1 21 21 VAL H H 1 8.97 0.02 . 1 . . . . A 20 VAL H . 30979 1 179 . 1 . 1 21 21 VAL HA H 1 4.74 0.02 . 1 . . . . A 20 VAL HA . 30979 1 180 . 1 . 1 21 21 VAL HB H 1 2.18 0.02 . 1 . . . . A 20 VAL HB . 30979 1 181 . 1 . 1 21 21 VAL HG11 H 1 0.94 0.02 . 2 . . . . A 20 VAL HG11 . 30979 1 182 . 1 . 1 21 21 VAL HG12 H 1 0.94 0.02 . 2 . . . . A 20 VAL HG12 . 30979 1 183 . 1 . 1 21 21 VAL HG13 H 1 0.94 0.02 . 2 . . . . A 20 VAL HG13 . 30979 1 184 . 1 . 1 21 21 VAL HG21 H 1 0.85 0.02 . 2 . . . . A 20 VAL HG21 . 30979 1 185 . 1 . 1 21 21 VAL HG22 H 1 0.85 0.02 . 2 . . . . A 20 VAL HG22 . 30979 1 186 . 1 . 1 21 21 VAL HG23 H 1 0.85 0.02 . 2 . . . . A 20 VAL HG23 . 30979 1 187 . 1 . 1 21 21 VAL CA C 13 57.7 0.2 . 1 . . . . A 20 VAL CA . 30979 1 188 . 1 . 1 21 21 VAL CB C 13 34.1 0.2 . 1 . . . . A 20 VAL CB . 30979 1 189 . 1 . 1 21 21 VAL CG1 C 13 21.2 0.2 . 2 . . . . A 20 VAL CG1 . 30979 1 190 . 1 . 1 21 21 VAL CG2 C 13 18.4 0.2 . 2 . . . . A 20 VAL CG2 . 30979 1 191 . 1 . 1 21 21 VAL N N 15 113.4 0.2 . 1 . . . . A 20 VAL N . 30979 1 192 . 1 . 1 22 22 PRO HA H 1 5.02 0.02 . 1 . . . . A 21 PRO HA . 30979 1 193 . 1 . 1 22 22 PRO HB2 H 1 2.17 0.02 . 2 . . . . A 21 PRO HB2 . 30979 1 194 . 1 . 1 22 22 PRO HB3 H 1 1.97 0.02 . 2 . . . . A 21 PRO HB3 . 30979 1 195 . 1 . 1 22 22 PRO HG2 H 1 2.29 0.02 . 2 . . . . A 21 PRO HG2 . 30979 1 196 . 1 . 1 22 22 PRO HG3 H 1 2.09 0.02 . 2 . . . . A 21 PRO HG3 . 30979 1 197 . 1 . 1 22 22 PRO HD2 H 1 3.80 0.02 . 2 . . . . A 21 PRO HD2 . 30979 1 198 . 1 . 1 22 22 PRO HD3 H 1 3.72 0.02 . 2 . . . . A 21 PRO HD3 . 30979 1 199 . 1 . 1 22 22 PRO CA C 13 62.4 0.2 . 1 . . . . A 21 PRO CA . 30979 1 200 . 1 . 1 22 22 PRO CB C 13 32.3 0.2 . 1 . . . . A 21 PRO CB . 30979 1 201 . 1 . 1 22 22 PRO CG C 13 27.6 0.2 . 1 . . . . A 21 PRO CG . 30979 1 202 . 1 . 1 22 22 PRO CD C 13 50.4 0.2 . 1 . . . . A 21 PRO CD . 30979 1 203 . 1 . 1 23 23 LYS H H 1 9.14 0.02 . 1 . . . . A 22 LYS H . 30979 1 204 . 1 . 1 23 23 LYS HA H 1 4.59 0.02 . 1 . . . . A 22 LYS HA . 30979 1 205 . 1 . 1 23 23 LYS HB2 H 1 1.77 0.02 . 2 . . . . A 22 LYS HB2 . 30979 1 206 . 1 . 1 23 23 LYS HB3 H 1 1.74 0.02 . 2 . . . . A 22 LYS HB3 . 30979 1 207 . 1 . 1 23 23 LYS HG2 H 1 1.39 0.02 . 2 . . . . A 22 LYS HG2 . 30979 1 208 . 1 . 1 23 23 LYS HG3 H 1 1.30 0.02 . 2 . . . . A 22 LYS HG3 . 30979 1 209 . 1 . 1 23 23 LYS HE2 H 1 2.94 0.02 . 2 . . . . A 22 LYS HE2 . 30979 1 210 . 1 . 1 23 23 LYS HE3 H 1 2.94 0.02 . 2 . . . . A 22 LYS HE3 . 30979 1 211 . 1 . 1 23 23 LYS CA C 13 55.7 0.2 . 1 . . . . A 22 LYS CA . 30979 1 212 . 1 . 1 23 23 LYS CB C 13 35.0 0.2 . 1 . . . . A 22 LYS CB . 30979 1 213 . 1 . 1 23 23 LYS CG C 13 24.8 0.2 . 1 . . . . A 22 LYS CG . 30979 1 214 . 1 . 1 23 23 LYS CE C 13 41.7 0.2 . 1 . . . . A 22 LYS CE . 30979 1 215 . 1 . 1 23 23 LYS N N 15 124.7 0.2 . 1 . . . . A 22 LYS N . 30979 1 216 . 1 . 1 24 24 CYS H H 1 9.12 0.02 . 1 . . . . A 23 CYS H . 30979 1 217 . 1 . 1 24 24 CYS HA H 1 5.47 0.02 . 1 . . . . A 23 CYS HA . 30979 1 218 . 1 . 1 24 24 CYS HB2 H 1 3.10 0.02 . 2 . . . . A 23 CYS HB2 . 30979 1 219 . 1 . 1 24 24 CYS HB3 H 1 2.57 0.02 . 2 . . . . A 23 CYS HB3 . 30979 1 220 . 1 . 1 24 24 CYS CA C 13 55.1 0.2 . 1 . . . . A 23 CYS CA . 30979 1 221 . 1 . 1 24 24 CYS CB C 13 47.8 0.2 . 1 . . . . A 23 CYS CB . 30979 1 222 . 1 . 1 24 24 CYS N N 15 126.7 0.2 . 1 . . . . A 23 CYS N . 30979 1 223 . 1 . 1 25 25 ILE H H 1 8.64 0.02 . 1 . . . . A 24 ILE H . 30979 1 224 . 1 . 1 25 25 ILE HA H 1 4.28 0.02 . 1 . . . . A 24 ILE HA . 30979 1 225 . 1 . 1 25 25 ILE HB H 1 1.87 0.02 . 1 . . . . A 24 ILE HB . 30979 1 226 . 1 . 1 25 25 ILE HG12 H 1 1.48 0.02 . 2 . . . . A 24 ILE HG12 . 30979 1 227 . 1 . 1 25 25 ILE HG13 H 1 1.14 0.02 . 2 . . . . A 24 ILE HG13 . 30979 1 228 . 1 . 1 25 25 ILE HG21 H 1 0.94 0.02 . 1 . . . . A 24 ILE HG21 . 30979 1 229 . 1 . 1 25 25 ILE HG22 H 1 0.94 0.02 . 1 . . . . A 24 ILE HG22 . 30979 1 230 . 1 . 1 25 25 ILE HG23 H 1 0.94 0.02 . 1 . . . . A 24 ILE HG23 . 30979 1 231 . 1 . 1 25 25 ILE HD11 H 1 0.90 0.02 . 1 . . . . A 24 ILE HD11 . 30979 1 232 . 1 . 1 25 25 ILE HD12 H 1 0.90 0.02 . 1 . . . . A 24 ILE HD12 . 30979 1 233 . 1 . 1 25 25 ILE HD13 H 1 0.90 0.02 . 1 . . . . A 24 ILE HD13 . 30979 1 234 . 1 . 1 25 25 ILE CA C 13 60.1 0.2 . 1 . . . . A 24 ILE CA . 30979 1 235 . 1 . 1 25 25 ILE CB C 13 40.3 0.2 . 1 . . . . A 24 ILE CB . 30979 1 236 . 1 . 1 25 25 ILE CG1 C 13 27.1 0.2 . 1 . . . . A 24 ILE CG1 . 30979 1 237 . 1 . 1 25 25 ILE CG2 C 13 16.8 0.2 . 1 . . . . A 24 ILE CG2 . 30979 1 238 . 1 . 1 25 25 ILE CD1 C 13 13.0 0.2 . 1 . . . . A 24 ILE CD1 . 30979 1 239 . 1 . 1 25 25 ILE N N 15 123.4 0.2 . 1 . . . . A 24 ILE N . 30979 1 240 . 1 . 1 26 26 ASN H H 1 9.57 0.02 . 1 . . . . A 25 ASN H . 30979 1 241 . 1 . 1 26 26 ASN HA H 1 4.41 0.02 . 1 . . . . A 25 ASN HA . 30979 1 242 . 1 . 1 26 26 ASN HB2 H 1 3.20 0.02 . 2 . . . . A 25 ASN HB2 . 30979 1 243 . 1 . 1 26 26 ASN HB3 H 1 2.89 0.02 . 2 . . . . A 25 ASN HB3 . 30979 1 244 . 1 . 1 26 26 ASN HD21 H 1 7.72 0.02 . 2 . . . . A 25 ASN HD21 . 30979 1 245 . 1 . 1 26 26 ASN HD22 H 1 6.99 0.02 . 2 . . . . A 25 ASN HD22 . 30979 1 246 . 1 . 1 26 26 ASN CA C 13 54.0 0.2 . 1 . . . . A 25 ASN CA . 30979 1 247 . 1 . 1 26 26 ASN CB C 13 37.2 0.2 . 1 . . . . A 25 ASN CB . 30979 1 248 . 1 . 1 26 26 ASN N N 15 126.3 0.2 . 1 . . . . A 25 ASN N . 30979 1 249 . 1 . 1 26 26 ASN ND2 N 15 112.6 0.2 . 1 . . . . A 25 ASN ND2 . 30979 1 250 . 1 . 1 27 27 GLY H H 1 8.67 0.02 . 1 . . . . A 26 GLY H . 30979 1 251 . 1 . 1 27 27 GLY HA2 H 1 4.06 0.02 . 2 . . . . A 26 GLY HA2 . 30979 1 252 . 1 . 1 27 27 GLY HA3 H 1 3.54 0.02 . 2 . . . . A 26 GLY HA3 . 30979 1 253 . 1 . 1 27 27 GLY CA C 13 44.9 0.2 . 1 . . . . A 26 GLY CA . 30979 1 254 . 1 . 1 27 27 GLY N N 15 103.0 0.2 . 1 . . . . A 26 GLY N . 30979 1 255 . 1 . 1 28 28 PHE H H 1 7.89 0.02 . 1 . . . . A 27 PHE H . 30979 1 256 . 1 . 1 28 28 PHE HA H 1 4.80 0.02 . 1 . . . . A 27 PHE HA . 30979 1 257 . 1 . 1 28 28 PHE HB2 H 1 3.13 0.02 . 2 . . . . A 27 PHE HB2 . 30979 1 258 . 1 . 1 28 28 PHE HB3 H 1 3.06 0.02 . 2 . . . . A 27 PHE HB3 . 30979 1 259 . 1 . 1 28 28 PHE HD1 H 1 7.28 0.02 . 3 . . . . A 27 PHE HD1 . 30979 1 260 . 1 . 1 28 28 PHE HD2 H 1 7.28 0.02 . 3 . . . . A 27 PHE HD2 . 30979 1 261 . 1 . 1 28 28 PHE HE1 H 1 7.37 0.02 . 3 . . . . A 27 PHE HE1 . 30979 1 262 . 1 . 1 28 28 PHE HE2 H 1 7.37 0.02 . 3 . . . . A 27 PHE HE2 . 30979 1 263 . 1 . 1 28 28 PHE CA C 13 57.8 0.2 . 1 . . . . A 27 PHE CA . 30979 1 264 . 1 . 1 28 28 PHE CB C 13 40.0 0.2 . 1 . . . . A 27 PHE CB . 30979 1 265 . 1 . 1 28 28 PHE N N 15 120.6 0.2 . 1 . . . . A 27 PHE N . 30979 1 266 . 1 . 1 29 29 CYS H H 1 8.52 0.02 . 1 . . . . A 28 CYS H . 30979 1 267 . 1 . 1 29 29 CYS HA H 1 5.26 0.02 . 1 . . . . A 28 CYS HA . 30979 1 268 . 1 . 1 29 29 CYS HB2 H 1 1.96 0.02 . 2 . . . . A 28 CYS HB2 . 30979 1 269 . 1 . 1 29 29 CYS HB3 H 1 1.91 0.02 . 2 . . . . A 28 CYS HB3 . 30979 1 270 . 1 . 1 29 29 CYS CA C 13 54.9 0.2 . 1 . . . . A 28 CYS CA . 30979 1 271 . 1 . 1 29 29 CYS CB C 13 46.1 0.2 . 1 . . . . A 28 CYS CB . 30979 1 272 . 1 . 1 29 29 CYS N N 15 124.0 0.2 . 1 . . . . A 28 CYS N . 30979 1 273 . 1 . 1 30 30 LYS H H 1 8.41 0.02 . 1 . . . . A 29 LYS H . 30979 1 274 . 1 . 1 30 30 LYS HA H 1 4.62 0.02 . 1 . . . . A 29 LYS HA . 30979 1 275 . 1 . 1 30 30 LYS HB2 H 1 1.83 0.02 . 2 . . . . A 29 LYS HB2 . 30979 1 276 . 1 . 1 30 30 LYS HB3 H 1 1.74 0.02 . 2 . . . . A 29 LYS HB3 . 30979 1 277 . 1 . 1 30 30 LYS HG2 H 1 1.46 0.02 . 2 . . . . A 29 LYS HG2 . 30979 1 278 . 1 . 1 30 30 LYS HG3 H 1 1.34 0.02 . 2 . . . . A 29 LYS HG3 . 30979 1 279 . 1 . 1 30 30 LYS HE2 H 1 2.92 0.02 . 2 . . . . A 29 LYS HE2 . 30979 1 280 . 1 . 1 30 30 LYS HE3 H 1 2.92 0.02 . 2 . . . . A 29 LYS HE3 . 30979 1 281 . 1 . 1 30 30 LYS CA C 13 54.3 0.2 . 1 . . . . A 29 LYS CA . 30979 1 282 . 1 . 1 30 30 LYS CB C 13 36.0 0.2 . 1 . . . . A 29 LYS CB . 30979 1 283 . 1 . 1 30 30 LYS CG C 13 23.9 0.2 . 1 . . . . A 29 LYS CG . 30979 1 284 . 1 . 1 30 30 LYS CE C 13 41.7 0.2 . 1 . . . . A 29 LYS CE . 30979 1 285 . 1 . 1 30 30 LYS N N 15 119.7 0.2 . 1 . . . . A 29 LYS N . 30979 1 286 . 1 . 1 31 31 CYS H H 1 8.92 0.02 . 1 . . . . A 30 CYS H . 30979 1 287 . 1 . 1 31 31 CYS HA H 1 5.27 0.02 . 1 . . . . A 30 CYS HA . 30979 1 288 . 1 . 1 31 31 CYS HB2 H 1 2.95 0.02 . 2 . . . . A 30 CYS HB2 . 30979 1 289 . 1 . 1 31 31 CYS HB3 H 1 2.79 0.02 . 2 . . . . A 30 CYS HB3 . 30979 1 290 . 1 . 1 31 31 CYS CA C 13 54.2 0.2 . 1 . . . . A 30 CYS CA . 30979 1 291 . 1 . 1 31 31 CYS CB C 13 40.0 0.2 . 1 . . . . A 30 CYS CB . 30979 1 292 . 1 . 1 31 31 CYS N N 15 120.1 0.2 . 1 . . . . A 30 CYS N . 30979 1 293 . 1 . 1 32 32 VAL H H 1 9.40 0.02 . 1 . . . . A 31 VAL H . 30979 1 294 . 1 . 1 32 32 VAL HA H 1 4.73 0.02 . 1 . . . . A 31 VAL HA . 30979 1 295 . 1 . 1 32 32 VAL HB H 1 2.32 0.02 . 1 . . . . A 31 VAL HB . 30979 1 296 . 1 . 1 32 32 VAL HG11 H 1 0.94 0.02 . 2 . . . . A 31 VAL HG11 . 30979 1 297 . 1 . 1 32 32 VAL HG12 H 1 0.94 0.02 . 2 . . . . A 31 VAL HG12 . 30979 1 298 . 1 . 1 32 32 VAL HG13 H 1 0.94 0.02 . 2 . . . . A 31 VAL HG13 . 30979 1 299 . 1 . 1 32 32 VAL HG21 H 1 0.89 0.02 . 2 . . . . A 31 VAL HG21 . 30979 1 300 . 1 . 1 32 32 VAL HG22 H 1 0.89 0.02 . 2 . . . . A 31 VAL HG22 . 30979 1 301 . 1 . 1 32 32 VAL HG23 H 1 0.89 0.02 . 2 . . . . A 31 VAL HG23 . 30979 1 302 . 1 . 1 32 32 VAL CA C 13 59.7 0.2 . 1 . . . . A 31 VAL CA . 30979 1 303 . 1 . 1 32 32 VAL CB C 13 35.4 0.2 . 1 . . . . A 31 VAL CB . 30979 1 304 . 1 . 1 32 32 VAL CG1 C 13 21.6 0.2 . 2 . . . . A 31 VAL CG1 . 30979 1 305 . 1 . 1 32 32 VAL CG2 C 13 19.3 0.2 . 2 . . . . A 31 VAL CG2 . 30979 1 306 . 1 . 1 32 32 VAL N N 15 121.5 0.2 . 1 . . . . A 31 VAL N . 30979 1 307 . 1 . 1 33 33 ARG H H 1 8.08 0.02 . 1 . . . . A 32 ARG H . 30979 1 308 . 1 . 1 33 33 ARG HA H 1 4.26 0.02 . 1 . . . . A 32 ARG HA . 30979 1 309 . 1 . 1 33 33 ARG HB2 H 1 1.81 0.02 . 2 . . . . A 32 ARG HB2 . 30979 1 310 . 1 . 1 33 33 ARG HB3 H 1 1.71 0.02 . 2 . . . . A 32 ARG HB3 . 30979 1 311 . 1 . 1 33 33 ARG HG2 H 1 1.69 0.02 . 2 . . . . A 32 ARG HG2 . 30979 1 312 . 1 . 1 33 33 ARG HG3 H 1 1.63 0.02 . 2 . . . . A 32 ARG HG3 . 30979 1 313 . 1 . 1 33 33 ARG HD2 H 1 3.23 0.02 . 2 . . . . A 32 ARG HD2 . 30979 1 314 . 1 . 1 33 33 ARG HD3 H 1 3.23 0.02 . 2 . . . . A 32 ARG HD3 . 30979 1 315 . 1 . 1 33 33 ARG CA C 13 57.5 0.2 . 1 . . . . A 32 ARG CA . 30979 1 316 . 1 . 1 33 33 ARG CG C 13 27.7 0.2 . 1 . . . . A 32 ARG CG . 30979 1 317 . 1 . 1 33 33 ARG CD C 13 43.0 0.2 . 1 . . . . A 32 ARG CD . 30979 1 318 . 1 . 1 33 33 ARG N N 15 124.9 0.2 . 1 . . . . A 32 ARG N . 30979 1 stop_ save_