################################### # 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 30069 _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 $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' . . . 30069 1 2 '2D 1H-13C HSQC aliphatic' . . . 30069 1 4 '2D 1H-1H TOCSY' . . . 30069 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 5 $software_5 . . 30069 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 ALA HA H 1 4.39 0.02 . 1 . . . A 1 ALA HA . 30069 1 2 . 1 1 1 1 ALA HB1 H 1 1.56 0.02 . 1 . . . A 1 ALA HB1 . 30069 1 3 . 1 1 1 1 ALA HB2 H 1 1.56 0.02 . 1 . . . A 1 ALA HB2 . 30069 1 4 . 1 1 1 1 ALA HB3 H 1 1.56 0.02 . 1 . . . A 1 ALA HB3 . 30069 1 5 . 1 1 1 1 ALA CA C 13 50.9 0.2 . 1 . . . A 1 ALA CA . 30069 1 6 . 1 1 1 1 ALA CB C 13 18.0 0.2 . 1 . . . A 1 ALA CB . 30069 1 7 . 1 1 2 2 PRO HA H 1 4.65 0.02 . 1 . . . A 2 PRO HA . 30069 1 8 . 1 1 2 2 PRO HB2 H 1 2.30 0.02 . 2 . . . A 2 PRO HB2 . 30069 1 9 . 1 1 2 2 PRO HB3 H 1 2.30 0.02 . 2 . . . A 2 PRO HB3 . 30069 1 10 . 1 1 2 2 PRO HG2 H 1 2.03 0.02 . 2 . . . A 2 PRO HG2 . 30069 1 11 . 1 1 2 2 PRO HG3 H 1 2.08 0.02 . 2 . . . A 2 PRO HG3 . 30069 1 12 . 1 1 2 2 PRO HD2 H 1 3.72 0.02 . 2 . . . A 2 PRO HD2 . 30069 1 13 . 1 1 2 2 PRO HD3 H 1 3.66 0.02 . 2 . . . A 2 PRO HD3 . 30069 1 14 . 1 1 2 2 PRO CA C 13 63.1 0.2 . 1 . . . A 2 PRO CA . 30069 1 15 . 1 1 2 2 PRO CB C 13 32.2 0.2 . 1 . . . A 2 PRO CB . 30069 1 16 . 1 1 2 2 PRO CG C 13 27.4 0.2 . 1 . . . A 2 PRO CG . 30069 1 17 . 1 1 2 2 PRO CD C 13 50.2 0.2 . 1 . . . A 2 PRO CD . 30069 1 18 . 1 1 3 3 CYS H H 1 8.52 0.02 . 1 . . . A 3 CYS H . 30069 1 19 . 1 1 3 3 CYS HB2 H 1 2.54 0.02 . 2 . . . A 3 CYS HB2 . 30069 1 20 . 1 1 3 3 CYS HB3 H 1 2.95 0.02 . 2 . . . A 3 CYS HB3 . 30069 1 21 . 1 1 3 3 CYS CA C 13 56.1 0.2 . 1 . . . A 3 CYS CA . 30069 1 22 . 1 1 3 3 CYS CB C 13 41.6 0.2 . 1 . . . A 3 CYS CB . 30069 1 23 . 1 1 3 3 CYS N N 15 117.1 0.2 . 1 . . . A 3 CYS N . 30069 1 24 . 1 1 4 4 GLU H H 1 8.75 0.02 . 1 . . . A 4 GLU H . 30069 1 25 . 1 1 4 4 GLU HA H 1 4.88 0.02 . 1 . . . A 4 GLU HA . 30069 1 26 . 1 1 4 4 GLU HB2 H 1 2.04 0.02 . 2 . . . A 4 GLU HB2 . 30069 1 27 . 1 1 4 4 GLU HB3 H 1 1.96 0.02 . 2 . . . A 4 GLU HB3 . 30069 1 28 . 1 1 4 4 GLU HG2 H 1 2.41 0.02 . 2 . . . A 4 GLU HG2 . 30069 1 29 . 1 1 4 4 GLU HG3 H 1 2.31 0.02 . 2 . . . A 4 GLU HG3 . 30069 1 30 . 1 1 4 4 GLU CB C 13 32.1 0.2 . 1 . . . A 4 GLU CB . 30069 1 31 . 1 1 4 4 GLU CG C 13 36.5 0.2 . 1 . . . A 4 GLU CG . 30069 1 32 . 1 1 4 4 GLU N N 15 212.2 0.2 . 1 . . . A 4 GLU N . 30069 1 33 . 1 1 5 5 CYS H H 1 9.53 0.02 . 1 . . . A 5 CYS H . 30069 1 34 . 1 1 5 5 CYS HA H 1 5.31 0.02 . 1 . . . A 5 CYS HA . 30069 1 35 . 1 1 5 5 CYS HB2 H 1 2.60 0.02 . 2 . . . A 5 CYS HB2 . 30069 1 36 . 1 1 5 5 CYS HB3 H 1 3.11 0.02 . 2 . . . A 5 CYS HB3 . 30069 1 37 . 1 1 5 5 CYS CA C 13 53.5 0.2 . 1 . . . A 5 CYS CA . 30069 1 38 . 1 1 5 5 CYS CB C 13 39.2 0.2 . 1 . . . A 5 CYS CB . 30069 1 39 . 1 1 5 5 CYS N N 15 126.2 0.2 . 1 . . . A 5 CYS N . 30069 1 40 . 1 1 6 6 ASP H H 1 9.39 0.02 . 1 . . . A 6 ASP H . 30069 1 41 . 1 1 6 6 ASP HA H 1 5.16 0.02 . 1 . . . A 6 ASP HA . 30069 1 42 . 1 1 6 6 ASP HB2 H 1 2.98 0.02 . 2 . . . A 6 ASP HB2 . 30069 1 43 . 1 1 6 6 ASP HB3 H 1 2.74 0.02 . 2 . . . A 6 ASP HB3 . 30069 1 44 . 1 1 6 6 ASP N N 15 129.4 0.2 . 1 . . . A 6 ASP N . 30069 1 45 . 1 1 7 7 VAL H H 1 9.06 0.02 . 1 . . . A 7 VAL H . 30069 1 46 . 1 1 7 7 VAL HA H 1 4.42 0.02 . 1 . . . A 7 VAL HA . 30069 1 47 . 1 1 7 7 VAL HB H 1 2.40 0.02 . 1 . . . A 7 VAL HB . 30069 1 48 . 1 1 7 7 VAL HG11 H 1 0.96 0.02 . 2 . . . A 7 VAL HG11 . 30069 1 49 . 1 1 7 7 VAL HG12 H 1 0.96 0.02 . 2 . . . A 7 VAL HG12 . 30069 1 50 . 1 1 7 7 VAL HG13 H 1 0.96 0.02 . 2 . . . A 7 VAL HG13 . 30069 1 51 . 1 1 7 7 VAL HG21 H 1 0.96 0.02 . 2 . . . A 7 VAL HG21 . 30069 1 52 . 1 1 7 7 VAL HG22 H 1 0.96 0.02 . 2 . . . A 7 VAL HG22 . 30069 1 53 . 1 1 7 7 VAL HG23 H 1 0.96 0.02 . 2 . . . A 7 VAL HG23 . 30069 1 54 . 1 1 7 7 VAL CA C 13 60.6 0.2 . 1 . . . A 7 VAL CA . 30069 1 55 . 1 1 7 7 VAL CB C 13 36.4 0.2 . 1 . . . A 7 VAL CB . 30069 1 56 . 1 1 7 7 VAL CG1 C 13 22.5 0.2 . 2 . . . A 7 VAL CG1 . 30069 1 57 . 1 1 7 7 VAL CG2 C 13 22.3 0.2 . 2 . . . A 7 VAL CG2 . 30069 1 58 . 1 1 7 7 VAL N N 15 126.4 0.2 . 1 . . . A 7 VAL N . 30069 1 59 . 1 1 8 8 ASN H H 1 9.11 0.02 . 1 . . . A 8 ASN H . 30069 1 60 . 1 1 8 8 ASN HA H 1 4.46 0.02 . 1 . . . A 8 ASN HA . 30069 1 61 . 1 1 8 8 ASN HB2 H 1 3.30 0.02 . 2 . . . A 8 ASN HB2 . 30069 1 62 . 1 1 8 8 ASN HB3 H 1 2.68 0.02 . 2 . . . A 8 ASN HB3 . 30069 1 63 . 1 1 8 8 ASN HD21 H 1 7.82 0.02 . 2 . . . A 8 ASN HD21 . 30069 1 64 . 1 1 8 8 ASN HD22 H 1 6.95 0.02 . 2 . . . A 8 ASN HD22 . 30069 1 65 . 1 1 8 8 ASN CA C 13 54.1 0.2 . 1 . . . A 8 ASN CA . 30069 1 66 . 1 1 8 8 ASN CB C 13 38.3 0.2 . 1 . . . A 8 ASN CB . 30069 1 67 . 1 1 8 8 ASN N N 15 125.5 0.2 . 1 . . . A 8 ASN N . 30069 1 68 . 1 1 8 8 ASN ND2 N 15 111.9 0.2 . 1 . . . A 8 ASN ND2 . 30069 1 69 . 1 1 9 9 GLY H H 1 8.46 0.02 . 1 . . . A 9 GLY H . 30069 1 70 . 1 1 9 9 GLY HA2 H 1 4.26 0.02 . 2 . . . A 9 GLY HA2 . 30069 1 71 . 1 1 9 9 GLY HA3 H 1 3.74 0.02 . 2 . . . A 9 GLY HA3 . 30069 1 72 . 1 1 9 9 GLY CA C 13 45.4 0.2 . 1 . . . A 9 GLY CA . 30069 1 73 . 1 1 9 9 GLY N N 15 105.1 0.2 . 1 . . . A 9 GLY N . 30069 1 74 . 1 1 10 10 GLU H H 1 7.74 0.02 . 1 . . . A 10 GLU H . 30069 1 75 . 1 1 10 10 GLU HA H 1 4.62 0.02 . 1 . . . A 10 GLU HA . 30069 1 76 . 1 1 10 10 GLU HB2 H 1 2.05 0.02 . 2 . . . A 10 GLU HB2 . 30069 1 77 . 1 1 10 10 GLU HB3 H 1 2.05 0.02 . 2 . . . A 10 GLU HB3 . 30069 1 78 . 1 1 10 10 GLU HG2 H 1 2.35 0.02 . 2 . . . A 10 GLU HG2 . 30069 1 79 . 1 1 10 10 GLU HG3 H 1 2.23 0.02 . 2 . . . A 10 GLU HG3 . 30069 1 80 . 1 1 10 10 GLU CA C 13 54.5 0.2 . 1 . . . A 10 GLU CA . 30069 1 81 . 1 1 10 10 GLU N N 15 121.1 0.2 . 1 . . . A 10 GLU N . 30069 1 82 . 1 1 11 11 THR H H 1 8.47 0.02 . 1 . . . A 11 THR H . 30069 1 83 . 1 1 11 11 THR HA H 1 4.98 0.02 . 1 . . . A 11 THR HA . 30069 1 84 . 1 1 11 11 THR HB H 1 3.88 0.02 . 1 . . . A 11 THR HB . 30069 1 85 . 1 1 11 11 THR HG21 H 1 1.10 0.02 . 1 . . . A 11 THR HG21 . 30069 1 86 . 1 1 11 11 THR HG22 H 1 1.10 0.02 . 1 . . . A 11 THR HG22 . 30069 1 87 . 1 1 11 11 THR HG23 H 1 1.10 0.02 . 1 . . . A 11 THR HG23 . 30069 1 88 . 1 1 11 11 THR CA C 13 62.2 0.2 . 1 . . . A 11 THR CA . 30069 1 89 . 1 1 11 11 THR CB C 13 69.9 0.2 . 1 . . . A 11 THR CB . 30069 1 90 . 1 1 11 11 THR CG2 C 13 22.1 0.2 . 1 . . . A 11 THR CG2 . 30069 1 91 . 1 1 11 11 THR N N 15 118.8 0.2 . 1 . . . A 11 THR N . 30069 1 92 . 1 1 12 12 TYR H H 1 9.18 0.02 . 1 . . . A 12 TYR H . 30069 1 93 . 1 1 12 12 TYR HA H 1 4.79 0.02 . 1 . . . A 12 TYR HA . 30069 1 94 . 1 1 12 12 TYR HB2 H 1 2.56 0.02 . 2 . . . A 12 TYR HB2 . 30069 1 95 . 1 1 12 12 TYR HB3 H 1 2.95 0.02 . 2 . . . A 12 TYR HB3 . 30069 1 96 . 1 1 12 12 TYR HD1 H 1 7.18 0.02 . 2 . . . A 12 TYR HD1 . 30069 1 97 . 1 1 12 12 TYR HD2 H 1 7.18 0.02 . 2 . . . A 12 TYR HD2 . 30069 1 98 . 1 1 12 12 TYR HE1 H 1 6.74 0.02 . 2 . . . A 12 TYR HE1 . 30069 1 99 . 1 1 12 12 TYR HE2 H 1 6.74 0.02 . 2 . . . A 12 TYR HE2 . 30069 1 100 . 1 1 12 12 TYR CB C 13 41.1 0.2 . 1 . . . A 12 TYR CB . 30069 1 101 . 1 1 12 12 TYR N N 15 126.1 0.2 . 1 . . . A 12 TYR N . 30069 1 102 . 1 1 13 13 THR H H 1 9.01 0.02 . 1 . . . A 13 THR H . 30069 1 103 . 1 1 13 13 THR HA H 1 4.09 0.02 . 1 . . . A 13 THR HA . 30069 1 104 . 1 1 13 13 THR HB H 1 4.92 0.02 . 1 . . . A 13 THR HB . 30069 1 105 . 1 1 13 13 THR HG21 H 1 1.27 0.02 . 1 . . . A 13 THR HG21 . 30069 1 106 . 1 1 13 13 THR HG22 H 1 1.27 0.02 . 1 . . . A 13 THR HG22 . 30069 1 107 . 1 1 13 13 THR HG23 H 1 1.27 0.02 . 1 . . . A 13 THR HG23 . 30069 1 108 . 1 1 13 13 THR CA C 13 62.7 0.2 . 1 . . . A 13 THR CA . 30069 1 109 . 1 1 13 13 THR CB C 13 69.0 0.2 . 1 . . . A 13 THR CB . 30069 1 110 . 1 1 13 13 THR CG2 C 13 21.9 0.2 . 1 . . . A 13 THR CG2 . 30069 1 111 . 1 1 13 13 THR N N 15 120.1 0.2 . 1 . . . A 13 THR N . 30069 1 112 . 1 1 14 14 VAL H H 1 8.65 0.02 . 1 . . . A 14 VAL H . 30069 1 113 . 1 1 14 14 VAL HA H 1 4.96 0.02 . 1 . . . A 14 VAL HA . 30069 1 114 . 1 1 14 14 VAL HB H 1 2.44 0.02 . 1 . . . A 14 VAL HB . 30069 1 115 . 1 1 14 14 VAL HG11 H 1 0.85 0.02 . 2 . . . A 14 VAL HG11 . 30069 1 116 . 1 1 14 14 VAL HG12 H 1 0.85 0.02 . 2 . . . A 14 VAL HG12 . 30069 1 117 . 1 1 14 14 VAL HG13 H 1 0.85 0.02 . 2 . . . A 14 VAL HG13 . 30069 1 118 . 1 1 14 14 VAL HG21 H 1 0.72 0.02 . 2 . . . A 14 VAL HG21 . 30069 1 119 . 1 1 14 14 VAL HG22 H 1 0.72 0.02 . 2 . . . A 14 VAL HG22 . 30069 1 120 . 1 1 14 14 VAL HG23 H 1 0.72 0.02 . 2 . . . A 14 VAL HG23 . 30069 1 121 . 1 1 14 14 VAL CA C 13 48.8 0.2 . 1 . . . A 14 VAL CA . 30069 1 122 . 1 1 14 14 VAL CG1 C 13 22.2 0.2 . 2 . . . A 14 VAL CG1 . 30069 1 123 . 1 1 14 14 VAL CG2 C 13 19.5 0.2 . 2 . . . A 14 VAL CG2 . 30069 1 124 . 1 1 14 14 VAL N N 15 118.1 0.2 . 1 . . . A 14 VAL N . 30069 1 125 . 1 1 15 15 SER H H 1 8.85 0.02 . 1 . . . A 15 SER H . 30069 1 126 . 1 1 15 15 SER HA H 1 4.53 0.02 . 1 . . . A 15 SER HA . 30069 1 127 . 1 1 15 15 SER HB2 H 1 4.00 0.02 . 2 . . . A 15 SER HB2 . 30069 1 128 . 1 1 15 15 SER HB3 H 1 4.00 0.02 . 2 . . . A 15 SER HB3 . 30069 1 129 . 1 1 15 15 SER CA C 13 60.0 0.2 . 1 . . . A 15 SER CA . 30069 1 130 . 1 1 15 15 SER CB C 13 64.2 0.2 . 1 . . . A 15 SER CB . 30069 1 131 . 1 1 15 15 SER N N 15 113.4 0.2 . 1 . . . A 15 SER N . 30069 1 132 . 1 1 16 16 SER H H 1 7.31 0.02 . 1 . . . A 16 SER H . 30069 1 133 . 1 1 16 16 SER HA H 1 4.87 0.02 . 1 . . . A 16 SER HA . 30069 1 134 . 1 1 16 16 SER HB2 H 1 4.29 0.02 . 2 . . . A 16 SER HB2 . 30069 1 135 . 1 1 16 16 SER HB3 H 1 4.07 0.02 . 2 . . . A 16 SER HB3 . 30069 1 136 . 1 1 16 16 SER CA C 13 60.0 0.2 . 1 . . . A 16 SER CA . 30069 1 137 . 1 1 16 16 SER CB C 13 66.2 0.2 . 1 . . . A 16 SER CB . 30069 1 138 . 1 1 16 16 SER N N 15 111.0 0.2 . 1 . . . A 16 SER N . 30069 1 139 . 1 1 17 17 SER H H 1 9.40 0.02 . 1 . . . A 17 SER H . 30069 1 140 . 1 1 17 17 SER HA H 1 4.02 0.02 . 1 . . . A 17 SER HA . 30069 1 141 . 1 1 17 17 SER HB2 H 1 3.97 0.02 . 2 . . . A 17 SER HB2 . 30069 1 142 . 1 1 17 17 SER HB3 H 1 3.97 0.02 . 2 . . . A 17 SER HB3 . 30069 1 143 . 1 1 17 17 SER CA C 13 61.6 0.2 . 1 . . . A 17 SER CA . 30069 1 144 . 1 1 17 17 SER CB C 13 62.1 0.2 . 1 . . . A 17 SER CB . 30069 1 145 . 1 1 17 17 SER N N 15 116.7 0.2 . 1 . . . A 17 SER N . 30069 1 146 . 1 1 18 18 GLU H H 1 8.76 0.02 . 1 . . . A 18 GLU H . 30069 1 147 . 1 1 18 18 GLU HA H 1 4.12 0.02 . 1 . . . A 18 GLU HA . 30069 1 148 . 1 1 18 18 GLU HB2 H 1 2.16 0.02 . 2 . . . A 18 GLU HB2 . 30069 1 149 . 1 1 18 18 GLU HB3 H 1 2.00 0.02 . 2 . . . A 18 GLU HB3 . 30069 1 150 . 1 1 18 18 GLU HG2 H 1 2.42 0.02 . 2 . . . A 18 GLU HG2 . 30069 1 151 . 1 1 18 18 GLU HG3 H 1 2.16 0.02 . 2 . . . A 18 GLU HG3 . 30069 1 152 . 1 1 18 18 GLU CA C 13 60.0 0.02 . 1 . . . A 18 GLU CA . 30069 1 153 . 1 1 19 19 GLU H H 1 122.9 0.2 . 1 . . . A 19 GLU H . 30069 1 154 . 1 1 19 19 GLU HA H 1 8.02 0.02 . 1 . . . A 19 GLU HA . 30069 1 155 . 1 1 19 19 GLU HB2 H 1 2.14 0.02 . 2 . . . A 19 GLU HB2 . 30069 1 156 . 1 1 19 19 GLU HB3 H 1 2.14 0.02 . 2 . . . A 19 GLU HB3 . 30069 1 157 . 1 1 19 19 GLU HG2 H 1 2.52 0.02 . 2 . . . A 19 GLU HG2 . 30069 1 158 . 1 1 19 19 GLU HG3 H 1 2.32 0.02 . 2 . . . A 19 GLU HG3 . 30069 1 159 . 1 1 19 19 GLU CA C 13 59.2 0.2 . 1 . . . A 19 GLU CA . 30069 1 160 . 1 1 19 19 GLU CB C 13 28.7 0.2 . 1 . . . A 19 GLU CB . 30069 1 161 . 1 1 19 19 GLU N N 15 119.5 0.2 . 1 . . . A 19 GLU N . 30069 1 162 . 1 1 20 20 CYS H H 1 7.65 0.02 . 1 . . . A 20 CYS H . 30069 1 163 . 1 1 20 20 CYS HA H 1 4.71 0.02 . 1 . . . A 20 CYS HA . 30069 1 164 . 1 1 20 20 CYS HB2 H 1 3.06 0.02 . 2 . . . A 20 CYS HB2 . 30069 1 165 . 1 1 20 20 CYS HB3 H 1 3.17 0.02 . 2 . . . A 20 CYS HB3 . 30069 1 166 . 1 1 20 20 CYS CA C 13 56.0 0.2 . 1 . . . A 20 CYS CA . 30069 1 167 . 1 1 20 20 CYS CB C 13 33.8 0.2 . 1 . . . A 20 CYS CB . 30069 1 168 . 1 1 20 20 CYS N N 15 116.9 0.2 . 1 . . . A 20 CYS N . 30069 1 169 . 1 1 21 21 GLU H H 1 8.06 0.02 . 1 . . . A 21 GLU H . 30069 1 170 . 1 1 21 21 GLU HA H 1 4.11 0.02 . 1 . . . A 21 GLU HA . 30069 1 171 . 1 1 21 21 GLU HB2 H 1 2.19 0.02 . 2 . . . A 21 GLU HB2 . 30069 1 172 . 1 1 21 21 GLU HB3 H 1 2.19 0.02 . 2 . . . A 21 GLU HB3 . 30069 1 173 . 1 1 21 21 GLU HG2 H 1 2.51 0.02 . 2 . . . A 21 GLU HG2 . 30069 1 174 . 1 1 21 21 GLU HG3 H 1 2.44 0.02 . 2 . . . A 21 GLU HG3 . 30069 1 175 . 1 1 21 21 GLU CA C 13 59.6 0.2 . 1 . . . A 21 GLU CA . 30069 1 176 . 1 1 21 21 GLU N N 15 118.1 0.2 . 1 . . . A 21 GLU N . 30069 1 177 . 1 1 22 22 ARG H H 1 8.12 0.02 . 1 . . . A 22 ARG H . 30069 1 178 . 1 1 22 22 ARG HA H 1 3.96 0.02 . 1 . . . A 22 ARG HA . 30069 1 179 . 1 1 22 22 ARG HB2 H 1 1.90 0.02 . 2 . . . A 22 ARG HB2 . 30069 1 180 . 1 1 22 22 ARG HB3 H 1 1.90 0.02 . 2 . . . A 22 ARG HB3 . 30069 1 181 . 1 1 22 22 ARG HG2 H 1 1.61 0.02 . 2 . . . A 22 ARG HG2 . 30069 1 182 . 1 1 22 22 ARG HD2 H 1 3.20 0.02 . 2 . . . A 22 ARG HD2 . 30069 1 183 . 1 1 22 22 ARG HD3 H 1 3.20 0.02 . 2 . . . A 22 ARG HD3 . 30069 1 184 . 1 1 22 22 ARG HE H 1 7.53 0.02 . 1 . . . A 22 ARG HE . 30069 1 185 . 1 1 22 22 ARG CA C 13 60.0 0.02 . 1 . . . A 22 ARG CA . 30069 1 186 . 1 1 22 22 ARG CD C 13 43.3 0.2 . 1 . . . A 22 ARG CD . 30069 1 187 . 1 1 22 22 ARG N N 15 118.3 0.2 . 1 . . . A 22 ARG N . 30069 1 188 . 1 1 22 22 ARG NE N 15 84.2 0.2 . 1 . . . A 22 ARG NE . 30069 1 189 . 1 1 23 23 LEU H H 1 8.02 0.02 . 1 . . . A 23 LEU H . 30069 1 190 . 1 1 23 23 LEU HA H 1 4.08 0.02 . 1 . . . A 23 LEU HA . 30069 1 191 . 1 1 23 23 LEU HB2 H 1 1.99 0.02 . 2 . . . A 23 LEU HB2 . 30069 1 192 . 1 1 23 23 LEU HB3 H 1 1.61 0.02 . 2 . . . A 23 LEU HB3 . 30069 1 193 . 1 1 23 23 LEU HG H 1 1.30 0.02 . 1 . . . A 23 LEU HG . 30069 1 194 . 1 1 23 23 LEU HD11 H 1 0.65 0.02 . 2 . . . A 23 LEU HD11 . 30069 1 195 . 1 1 23 23 LEU HD12 H 1 0.65 0.02 . 2 . . . A 23 LEU HD12 . 30069 1 196 . 1 1 23 23 LEU HD13 H 1 0.65 0.02 . 2 . . . A 23 LEU HD13 . 30069 1 197 . 1 1 23 23 LEU HD21 H 1 0.39 0.02 . 2 . . . A 23 LEU HD21 . 30069 1 198 . 1 1 23 23 LEU HD22 H 1 0.39 0.02 . 2 . . . A 23 LEU HD22 . 30069 1 199 . 1 1 23 23 LEU HD23 H 1 0.39 0.02 . 2 . . . A 23 LEU HD23 . 30069 1 200 . 1 1 23 23 LEU CA C 13 59.4 0.2 . 1 . . . A 23 LEU CA . 30069 1 201 . 1 1 23 23 LEU CB C 13 41.9 0.2 . 1 . . . A 23 LEU CB . 30069 1 202 . 1 1 23 23 LEU CG C 13 26.9 0.2 . 1 . . . A 23 LEU CG . 30069 1 203 . 1 1 23 23 LEU CD1 C 13 23.0 0.2 . 2 . . . A 23 LEU CD1 . 30069 1 204 . 1 1 23 23 LEU CD2 C 13 25.4 0.2 . 2 . . . A 23 LEU CD2 . 30069 1 205 . 1 1 23 23 LEU N N 15 123.7 0.2 . 1 . . . A 23 LEU N . 30069 1 206 . 1 1 24 24 CYS H H 1 8.64 0.02 . 1 . . . A 24 CYS H . 30069 1 207 . 1 1 24 24 CYS HA H 1 3.84 0.02 . 1 . . . A 24 CYS HA . 30069 1 208 . 1 1 24 24 CYS HB2 H 1 3.23 0.02 . 2 . . . A 24 CYS HB2 . 30069 1 209 . 1 1 24 24 CYS HB3 H 1 3.63 0.02 . 2 . . . A 24 CYS HB3 . 30069 1 210 . 1 1 24 24 CYS CA C 13 60.7 0.2 . 1 . . . A 24 CYS CA . 30069 1 211 . 1 1 24 24 CYS CB C 13 42.5 0.2 . 1 . . . A 24 CYS CB . 30069 1 212 . 1 1 24 24 CYS N N 15 117.1 0.2 . 1 . . . A 24 CYS N . 30069 1 213 . 1 1 25 25 ARG H H 1 7.93 0.02 . 1 . . . A 25 ARG H . 30069 1 214 . 1 1 25 25 ARG HA H 1 4.22 0.02 . 1 . . . A 25 ARG HA . 30069 1 215 . 1 1 25 25 ARG HB2 H 1 1.95 0.02 . 2 . . . A 25 ARG HB2 . 30069 1 216 . 1 1 25 25 ARG HB3 H 1 1.95 0.02 . 2 . . . A 25 ARG HB3 . 30069 1 217 . 1 1 25 25 ARG HG2 H 1 1.86 0.02 . 2 . . . A 25 ARG HG2 . 30069 1 218 . 1 1 25 25 ARG HG3 H 1 1.72 0.02 . 2 . . . A 25 ARG HG3 . 30069 1 219 . 1 1 25 25 ARG HD2 H 1 3.24 0.02 . 2 . . . A 25 ARG HD2 . 30069 1 220 . 1 1 25 25 ARG HD3 H 1 3.24 0.02 . 2 . . . A 25 ARG HD3 . 30069 1 221 . 1 1 25 25 ARG HE H 1 7.42 0.02 . 1 . . . A 25 ARG HE . 30069 1 222 . 1 1 25 25 ARG CA C 13 59.0 0.2 . 1 . . . A 25 ARG CA . 30069 1 223 . 1 1 25 25 ARG CD C 13 43.3 0.2 . 1 . . . A 25 ARG CD . 30069 1 224 . 1 1 25 25 ARG N N 15 116.9 0.2 . 1 . . . A 25 ARG N . 30069 1 225 . 1 1 25 25 ARG NE N 15 84.6 0.2 . 1 . . . A 25 ARG NE . 30069 1 226 . 1 1 26 26 LYS H H 1 8.18 0.02 . 1 . . . A 26 LYS H . 30069 1 227 . 1 1 26 26 LYS HA H 1 4.07 0.02 . 1 . . . A 26 LYS HA . 30069 1 228 . 1 1 26 26 LYS HB2 H 1 2.04 0.02 . 2 . . . A 26 LYS HB2 . 30069 1 229 . 1 1 26 26 LYS HB3 H 1 2.04 0.02 . 2 . . . A 26 LYS HB3 . 30069 1 230 . 1 1 26 26 LYS HG2 H 1 1.57 0.02 . 2 . . . A 26 LYS HG2 . 30069 1 231 . 1 1 26 26 LYS HG3 H 1 1.44 0.02 . 2 . . . A 26 LYS HG3 . 30069 1 232 . 1 1 26 26 LYS CA C 13 58.2 0.2 . 1 . . . A 26 LYS CA . 30069 1 233 . 1 1 26 26 LYS CG C 13 24.9 0.2 . 1 . . . A 26 LYS CG . 30069 1 234 . 1 1 26 26 LYS N N 15 122.4 0.2 . 1 . . . A 26 LYS N . 30069 1 235 . 1 1 27 27 LEU H H 1 7.89 0.02 . 1 . . . A 27 LEU H . 30069 1 236 . 1 1 27 27 LEU HA H 1 4.32 0.02 . 1 . . . A 27 LEU HA . 30069 1 237 . 1 1 27 27 LEU HB2 H 1 1.71 0.02 . 2 . . . A 27 LEU HB2 . 30069 1 238 . 1 1 27 27 LEU HB3 H 1 1.71 0.02 . 2 . . . A 27 LEU HB3 . 30069 1 239 . 1 1 27 27 LEU HG H 1 1.75 0.02 . 1 . . . A 27 LEU HG . 30069 1 240 . 1 1 27 27 LEU HD11 H 1 0.87 0.02 . 2 . . . A 27 LEU HD11 . 30069 1 241 . 1 1 27 27 LEU HD12 H 1 0.87 0.02 . 2 . . . A 27 LEU HD12 . 30069 1 242 . 1 1 27 27 LEU HD13 H 1 0.87 0.02 . 2 . . . A 27 LEU HD13 . 30069 1 243 . 1 1 27 27 LEU HD21 H 1 0.77 0.02 . 2 . . . A 27 LEU HD21 . 30069 1 244 . 1 1 27 27 LEU HD22 H 1 0.77 0.02 . 2 . . . A 27 LEU HD22 . 30069 1 245 . 1 1 27 27 LEU HD23 H 1 0.77 0.02 . 2 . . . A 27 LEU HD23 . 30069 1 246 . 1 1 27 27 LEU CA C 13 54.9 0.2 . 1 . . . A 27 LEU CA . 30069 1 247 . 1 1 27 27 LEU CB C 13 42.0 0.2 . 1 . . . A 27 LEU CB . 30069 1 248 . 1 1 27 27 LEU CG C 13 27.3 0.2 . 1 . . . A 27 LEU CG . 30069 1 249 . 1 1 27 27 LEU CD1 C 13 22.2 0.2 . 2 . . . A 27 LEU CD1 . 30069 1 250 . 1 1 27 27 LEU CD2 C 13 25.7 0.2 . 2 . . . A 27 LEU CD2 . 30069 1 251 . 1 1 27 27 LEU N N 15 116.8 0.2 . 1 . . . A 27 LEU N . 30069 1 252 . 1 1 28 28 GLY H H 1 7.89 0.02 . 1 . . . A 28 GLY H . 30069 1 253 . 1 1 28 28 GLY HA2 H 1 4.05 0.02 . 2 . . . A 28 GLY HA2 . 30069 1 254 . 1 1 28 28 GLY HA3 H 1 3.88 0.02 . 2 . . . A 28 GLY HA3 . 30069 1 255 . 1 1 28 28 GLY CA C 13 46.3 0.2 . 1 . . . A 28 GLY CA . 30069 1 256 . 1 1 28 28 GLY N N 15 108.8 0.2 . 1 . . . A 28 GLY N . 30069 1 257 . 1 1 29 29 VAL H H 1 8.03 0.02 . 1 . . . A 29 VAL H . 30069 1 258 . 1 1 29 29 VAL HA H 1 4.41 0.02 . 1 . . . A 29 VAL HA . 30069 1 259 . 1 1 29 29 VAL HB H 1 2.06 0.02 . 1 . . . A 29 VAL HB . 30069 1 260 . 1 1 29 29 VAL HG11 H 1 1.04 0.02 . 2 . . . A 29 VAL HG11 . 30069 1 261 . 1 1 29 29 VAL HG12 H 1 1.04 0.02 . 2 . . . A 29 VAL HG12 . 30069 1 262 . 1 1 29 29 VAL HG13 H 1 1.04 0.02 . 2 . . . A 29 VAL HG13 . 30069 1 263 . 1 1 29 29 VAL HG21 H 1 0.88 0.02 . 2 . . . A 29 VAL HG21 . 30069 1 264 . 1 1 29 29 VAL HG22 H 1 0.88 0.02 . 2 . . . A 29 VAL HG22 . 30069 1 265 . 1 1 29 29 VAL HG23 H 1 0.88 0.02 . 2 . . . A 29 VAL HG23 . 30069 1 266 . 1 1 29 29 VAL CA C 13 61.0 0.2 . 1 . . . A 29 VAL CA . 30069 1 267 . 1 1 29 29 VAL CB C 13 33.9 0.2 . 1 . . . A 29 VAL CB . 30069 1 268 . 1 1 29 29 VAL CG1 C 13 23.1 0.2 . 2 . . . A 29 VAL CG1 . 30069 1 269 . 1 1 29 29 VAL CG2 C 13 21.2 0.2 . 2 . . . A 29 VAL CG2 . 30069 1 270 . 1 1 29 29 VAL N N 15 118.8 0.2 . 1 . . . A 29 VAL N . 30069 1 271 . 1 1 30 30 THR H H 1 8.27 0.02 . 1 . . . A 30 THR H . 30069 1 272 . 1 1 30 30 THR HB H 1 4.27 0.02 . 1 . . . A 30 THR HB . 30069 1 273 . 1 1 30 30 THR HG21 H 1 1.20 0.02 . 1 . . . A 30 THR HG21 . 30069 1 274 . 1 1 30 30 THR HG22 H 1 1.20 0.02 . 1 . . . A 30 THR HG22 . 30069 1 275 . 1 1 30 30 THR HG23 H 1 1.20 0.02 . 1 . . . A 30 THR HG23 . 30069 1 276 . 1 1 30 30 THR CA C 13 62.0 0.2 . 1 . . . A 30 THR CA . 30069 1 277 . 1 1 30 30 THR CB C 13 70.1 0.2 . 1 . . . A 30 THR CB . 30069 1 278 . 1 1 30 30 THR CG2 C 13 21.6 0.2 . 1 . . . A 30 THR CG2 . 30069 1 279 . 1 1 30 30 THR N N 15 114.9 0.2 . 1 . . . A 30 THR N . 30069 1 280 . 1 1 31 31 ASN H H 1 8.36 0.02 . 1 . . . A 31 ASN H . 30069 1 281 . 1 1 31 31 ASN HA H 1 4.77 0.02 . 1 . . . A 31 ASN HA . 30069 1 282 . 1 1 31 31 ASN HB2 H 1 2.93 0.02 . 2 . . . A 31 ASN HB2 . 30069 1 283 . 1 1 31 31 ASN HB3 H 1 2.82 0.02 . 2 . . . A 31 ASN HB3 . 30069 1 284 . 1 1 31 31 ASN HD21 H 1 7.66 0.02 . 2 . . . A 31 ASN HD21 . 30069 1 285 . 1 1 31 31 ASN HD22 H 1 6.95 0.02 . 2 . . . A 31 ASN HD22 . 30069 1 286 . 1 1 31 31 ASN CA C 13 53.0 0.2 . 1 . . . A 31 ASN CA . 30069 1 287 . 1 1 31 31 ASN CB C 13 37.3 0.2 . 1 . . . A 31 ASN CB . 30069 1 288 . 1 1 31 31 ASN N N 15 119.9 0.2 . 1 . . . A 31 ASN N . 30069 1 289 . 1 1 31 31 ASN ND2 N 15 112.2 0.2 . 1 . . . A 31 ASN ND2 . 30069 1 290 . 1 1 32 32 CYS H H 1 8.20 0.02 . 1 . . . A 32 CYS H . 30069 1 291 . 1 1 32 32 CYS HA H 1 4.98 0.02 . 1 . . . A 32 CYS HA . 30069 1 292 . 1 1 32 32 CYS HB2 H 1 2.83 0.02 . 2 . . . A 32 CYS HB2 . 30069 1 293 . 1 1 32 32 CYS HB3 H 1 3.17 0.02 . 2 . . . A 32 CYS HB3 . 30069 1 294 . 1 1 32 32 CYS CA C 13 57.6 0.2 . 1 . . . A 32 CYS CA . 30069 1 295 . 1 1 32 32 CYS CB C 13 42.6 0.2 . 1 . . . A 32 CYS CB . 30069 1 296 . 1 1 32 32 CYS N N 15 121.3 0.2 . 1 . . . A 32 CYS N . 30069 1 297 . 1 1 33 33 ARG H H 1 8.48 0.02 . 1 . . . A 33 ARG H . 30069 1 298 . 1 1 33 33 ARG HA H 1 4.68 0.02 . 1 . . . A 33 ARG HA . 30069 1 299 . 1 1 33 33 ARG HB2 H 1 1.90 0.02 . 2 . . . A 33 ARG HB2 . 30069 1 300 . 1 1 33 33 ARG HB3 H 1 1.90 0.02 . 2 . . . A 33 ARG HB3 . 30069 1 301 . 1 1 33 33 ARG HG2 H 1 1.71 0.02 . 2 . . . A 33 ARG HG2 . 30069 1 302 . 1 1 33 33 ARG HG3 H 1 1.65 0.02 . 2 . . . A 33 ARG HG3 . 30069 1 303 . 1 1 33 33 ARG HD2 H 1 3.28 0.02 . 2 . . . A 33 ARG HD2 . 30069 1 304 . 1 1 33 33 ARG HD3 H 1 3.28 0.02 . 2 . . . A 33 ARG HD3 . 30069 1 305 . 1 1 33 33 ARG HE H 1 7.27 0.02 . 1 . . . A 33 ARG HE . 30069 1 306 . 1 1 33 33 ARG CA C 13 55.5 0.2 . 1 . . . A 33 ARG CA . 30069 1 307 . 1 1 33 33 ARG CG C 13 29.2 0.2 . 1 . . . A 33 ARG CG . 30069 1 308 . 1 1 33 33 ARG CD C 13 43.3 0.2 . 1 . . . A 33 ARG CD . 30069 1 309 . 1 1 33 33 ARG N N 15 125.0 0.2 . 1 . . . A 33 ARG N . 30069 1 310 . 1 1 33 33 ARG NE N 15 84.5 0.02 . 1 . . . A 33 ARG NE . 30069 1 311 . 1 1 34 34 VAL H H 1 8.67 0.02 . 1 . . . A 34 VAL H . 30069 1 312 . 1 1 34 34 VAL HA H 1 5.33 0.02 . 1 . . . A 34 VAL HA . 30069 1 313 . 1 1 34 34 VAL HB H 1 2.19 0.02 . 1 . . . A 34 VAL HB . 30069 1 314 . 1 1 34 34 VAL HG11 H 1 0.96 0.02 . 2 . . . A 34 VAL HG11 . 30069 1 315 . 1 1 34 34 VAL HG12 H 1 0.96 0.02 . 2 . . . A 34 VAL HG12 . 30069 1 316 . 1 1 34 34 VAL HG13 H 1 0.96 0.02 . 2 . . . A 34 VAL HG13 . 30069 1 317 . 1 1 34 34 VAL HG21 H 1 0.96 0.02 . 2 . . . A 34 VAL HG21 . 30069 1 318 . 1 1 34 34 VAL HG22 H 1 0.96 0.02 . 2 . . . A 34 VAL HG22 . 30069 1 319 . 1 1 34 34 VAL HG23 H 1 0.96 0.02 . 2 . . . A 34 VAL HG23 . 30069 1 320 . 1 1 34 34 VAL CA C 13 59.0 0.2 . 1 . . . A 34 VAL CA . 30069 1 321 . 1 1 34 34 VAL CB C 13 35.5 0.2 . 1 . . . A 34 VAL CB . 30069 1 322 . 1 1 34 34 VAL CG1 C 13 21.3 0.2 . 2 . . . A 34 VAL CG1 . 30069 1 323 . 1 1 34 34 VAL CG2 C 13 19.9 0.2 . 2 . . . A 34 VAL CG2 . 30069 1 324 . 1 1 34 34 VAL N N 15 122.9 0.2 . 1 . . . A 34 VAL N . 30069 1 325 . 1 1 35 35 HIS H H 1 8.65 0.02 . 1 . . . A 35 HIS H . 30069 1 326 . 1 1 35 35 HIS HA H 1 4.98 0.02 . 1 . . . A 35 HIS HA . 30069 1 327 . 1 1 35 35 HIS HB2 H 1 3.27 0.02 . 2 . . . A 35 HIS HB2 . 30069 1 328 . 1 1 35 35 HIS HB3 H 1 3.27 0.02 . 2 . . . A 35 HIS HB3 . 30069 1 329 . 1 1 35 35 HIS CA C 13 54.9 0.2 . 1 . . . A 35 HIS CA . 30069 1 330 . 1 1 35 35 HIS CB C 13 30.4 0.2 . 1 . . . A 35 HIS CB . 30069 1 331 . 1 1 35 35 HIS N N 15 123.6 0.2 . 1 . . . A 35 HIS N . 30069 1 332 . 1 1 36 36 CYS H H 1 9.20 0.02 . 1 . . . A 36 CYS H . 30069 1 333 . 1 1 36 36 CYS HA H 1 5.12 0.02 . 1 . . . A 36 CYS HA . 30069 1 334 . 1 1 36 36 CYS HB2 H 1 2.95 0.02 . 2 . . . A 36 CYS HB2 . 30069 1 335 . 1 1 36 36 CYS HB3 H 1 3.18 0.02 . 2 . . . A 36 CYS HB3 . 30069 1 336 . 1 1 36 36 CYS CA C 13 55.5 0.2 . 1 . . . A 36 CYS CA . 30069 1 337 . 1 1 36 36 CYS CB C 13 45.3 0.2 . 1 . . . A 36 CYS CB . 30069 1 338 . 1 1 36 36 CYS N N 15 125.9 0.2 . 1 . . . A 36 CYS N . 30069 1 339 . 1 1 37 37 GLY H H 1 8.20 0.02 . 1 . . . A 37 GLY H . 30069 1 340 . 1 1 37 37 GLY HA2 H 1 3.81 0.02 . 2 . . . A 37 GLY HA2 . 30069 1 341 . 1 1 37 37 GLY HA3 H 1 3.81 0.02 . 2 . . . A 37 GLY HA3 . 30069 1 342 . 1 1 37 37 GLY CA C 13 46.1 0.2 . 1 . . . A 37 GLY CA . 30069 1 343 . 1 1 37 37 GLY N N 15 116.0 0.2 . 1 . . . A 37 GLY N . 30069 1 stop_ save_