################################### # 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_chemical-shift _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chemical-shift _Assigned_chem_shift_list.Entry_ID 15174 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $(L-Phe44)iota-RXIA _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-1H NOESY' . . . 15174 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 GLY HA2 H 1 3.93 0.02 . 2 . . . . 1 GLY HA2 . 15174 1 2 . 1 1 1 1 GLY HA3 H 1 4.02 0.02 . 2 . . . . 1 GLY HA3 . 15174 1 3 . 1 1 1 1 GLY CA C 13 43.5 0.02 . 1 . . . . 1 GLY CA . 15174 1 4 . 1 1 2 2 HYP HA H 1 4.5 0.02 . 1 . . . . 2 HYP HA . 15174 1 5 . 1 1 2 2 HYP HB2 H 1 1.99 0.02 . 2 . . . . 2 HYP HB2 . 15174 1 6 . 1 1 2 2 HYP HB3 H 1 2.04 0.02 . 2 . . . . 2 HYP HB3 . 15174 1 7 . 1 1 2 2 HYP CA C 13 60.8 0.02 . 1 . . . . 2 HYP CA . 15174 1 8 . 1 1 3 3 SER H H 1 8.56 0.02 . 1 . . . . 3 SER H . 15174 1 9 . 1 1 3 3 SER HA H 1 4.39 0.02 . 1 . . . . 3 SER HA . 15174 1 10 . 1 1 3 3 SER HB2 H 1 3.8 0.02 . 1 . . . . 3 SER HB2 . 15174 1 11 . 1 1 3 3 SER HB3 H 1 3.8 0.02 . 1 . . . . 3 SER HB3 . 15174 1 12 . 1 1 3 3 SER CA C 13 58.7 0.02 . 1 . . . . 3 SER CA . 15174 1 13 . 1 1 4 4 PHE H H 1 8.22 0.02 . 1 . . . . 4 PHE H . 15174 1 14 . 1 1 4 4 PHE HA H 1 4.73 0.02 . 1 . . . . 4 PHE HA . 15174 1 15 . 1 1 4 4 PHE HB2 H 1 3.02 0.02 . 2 . . . . 4 PHE HB2 . 15174 1 16 . 1 1 4 4 PHE HB3 H 1 3.17 0.02 . 2 . . . . 4 PHE HB3 . 15174 1 17 . 1 1 4 4 PHE HD1 H 1 7.36 0.02 . 1 . . . . 4 PHE HD1 . 15174 1 18 . 1 1 4 4 PHE HD2 H 1 7.36 0.02 . 1 . . . . 4 PHE HD2 . 15174 1 19 . 1 1 4 4 PHE HE1 H 1 7.26 0.02 . 1 . . . . 4 PHE HE1 . 15174 1 20 . 1 1 4 4 PHE HE2 H 1 7.26 0.02 . 1 . . . . 4 PHE HE2 . 15174 1 21 . 1 1 4 4 PHE CA C 13 57.5 0.02 . 1 . . . . 4 PHE CA . 15174 1 22 . 1 1 5 5 CYS H H 1 7.99 0.02 . 1 . . . . 5 CYS H . 15174 1 23 . 1 1 5 5 CYS HA H 1 4.51 0.02 . 1 . . . . 5 CYS HA . 15174 1 24 . 1 1 5 5 CYS HB2 H 1 2.8 0.02 . 2 . . . . 5 CYS HB2 . 15174 1 25 . 1 1 5 5 CYS HB3 H 1 3.04 0.02 . 2 . . . . 5 CYS HB3 . 15174 1 26 . 1 1 5 5 CYS CA C 13 54.3 0.02 . 1 . . . . 5 CYS CA . 15174 1 27 . 1 1 6 6 LYS H H 1 8.74 0.02 . 1 . . . . 6 LYS H . 15174 1 28 . 1 1 6 6 LYS HA H 1 4.34 0.02 . 1 . . . . 6 LYS HA . 15174 1 29 . 1 1 6 6 LYS HB2 H 1 1.75 0.02 . 2 . . . . 6 LYS HB2 . 15174 1 30 . 1 1 6 6 LYS HB3 H 1 2.16 0.02 . 2 . . . . 6 LYS HB3 . 15174 1 31 . 1 1 6 6 LYS HG2 H 1 1.48 0.02 . 2 . . . . 6 LYS HG2 . 15174 1 32 . 1 1 6 6 LYS HG3 H 1 1.58 0.02 . 2 . . . . 6 LYS HG3 . 15174 1 33 . 1 1 6 6 LYS HD2 H 1 1.6 0.02 . 1 . . . . 6 LYS HD2 . 15174 1 34 . 1 1 6 6 LYS HD3 H 1 1.6 0.02 . 1 . . . . 6 LYS HD3 . 15174 1 35 . 1 1 6 6 LYS HE2 H 1 3.07 0.02 . 1 . . . . 6 LYS HE2 . 15174 1 36 . 1 1 6 6 LYS HE3 H 1 3.07 0.02 . 1 . . . . 6 LYS HE3 . 15174 1 37 . 1 1 6 6 LYS CA C 13 57.4 0.02 . 1 . . . . 6 LYS CA . 15174 1 38 . 1 1 7 7 ALA H H 1 8.42 0.02 . 1 . . . . 7 ALA H . 15174 1 39 . 1 1 7 7 ALA HA H 1 4.09 0.02 . 1 . . . . 7 ALA HA . 15174 1 40 . 1 1 7 7 ALA HB1 H 1 1.44 0.02 . 1 . . . . 7 ALA HB . 15174 1 41 . 1 1 7 7 ALA HB2 H 1 1.44 0.02 . 1 . . . . 7 ALA HB . 15174 1 42 . 1 1 7 7 ALA HB3 H 1 1.44 0.02 . 1 . . . . 7 ALA HB . 15174 1 43 . 1 1 7 7 ALA CA C 13 51.4 0.02 . 1 . . . . 7 ALA CA . 15174 1 44 . 1 1 8 8 ASP H H 1 8.17 0.02 . 1 . . . . 8 ASP H . 15174 1 45 . 1 1 8 8 ASP HA H 1 4.1 0.02 . 1 . . . . 8 ASP HA . 15174 1 46 . 1 1 8 8 ASP HB2 H 1 2.55 0.02 . 2 . . . . 8 ASP HB2 . 15174 1 47 . 1 1 8 8 ASP HB3 H 1 2.74 0.02 . 2 . . . . 8 ASP HB3 . 15174 1 48 . 1 1 8 8 ASP CA C 13 51.4 0.02 . 1 . . . . 8 ASP CA . 15174 1 49 . 1 1 9 9 GLU H H 1 9.21 0.02 . 1 . . . . 9 GLU H . 15174 1 50 . 1 1 9 9 GLU HA H 1 3.8 0.02 . 1 . . . . 9 GLU HA . 15174 1 51 . 1 1 9 9 GLU HB2 H 1 2.23 0.02 . 2 . . . . 9 GLU HB2 . 15174 1 52 . 1 1 9 9 GLU HB3 H 1 2.29 0.02 . 2 . . . . 9 GLU HB3 . 15174 1 53 . 1 1 9 9 GLU HG2 H 1 2.6 0.02 . 1 . . . . 9 GLU HG2 . 15174 1 54 . 1 1 9 9 GLU HG3 H 1 2.6 0.02 . 1 . . . . 9 GLU HG3 . 15174 1 55 . 1 1 9 9 GLU CA C 13 58.2 0.02 . 1 . . . . 9 GLU CA . 15174 1 56 . 1 1 10 10 LYS H H 1 7.5 0.02 . 1 . . . . 10 LYS H . 15174 1 57 . 1 1 10 10 LYS HA H 1 4.7 0.02 . 1 . . . . 10 LYS HA . 15174 1 58 . 1 1 10 10 LYS HB2 H 1 1.76 0.02 . 2 . . . . 10 LYS HB2 . 15174 1 59 . 1 1 10 10 LYS HB3 H 1 2.04 0.02 . 2 . . . . 10 LYS HB3 . 15174 1 60 . 1 1 10 10 LYS HG2 H 1 1.48 0.02 . 2 . . . . 10 LYS HG2 . 15174 1 61 . 1 1 10 10 LYS HG3 H 1 1.57 0.02 . 2 . . . . 10 LYS HG3 . 15174 1 62 . 1 1 10 10 LYS HD2 H 1 1.69 0.02 . 1 . . . . 10 LYS HD2 . 15174 1 63 . 1 1 10 10 LYS HD3 H 1 1.69 0.02 . 1 . . . . 10 LYS HD3 . 15174 1 64 . 1 1 10 10 LYS HE2 H 1 3.04 0.02 . 1 . . . . 10 LYS HE2 . 15174 1 65 . 1 1 10 10 LYS HE3 H 1 3.04 0.02 . 1 . . . . 10 LYS HE3 . 15174 1 66 . 1 1 10 10 LYS CA C 13 53.7 0.02 . 1 . . . . 10 LYS CA . 15174 1 67 . 1 1 11 11 HYP HA H 1 4.62 0.02 . 1 . . . . 11 HYP HA . 15174 1 68 . 1 1 11 11 HYP HB2 H 1 2 0.02 . 2 . . . . 11 HYP HB2 . 15174 1 69 . 1 1 11 11 HYP HB3 H 1 2.39 0.02 . 2 . . . . 11 HYP HB3 . 15174 1 70 . 1 1 11 11 HYP HG H 1 5.18 0.02 . 1 . . . . 11 HYP HG . 15174 1 71 . 1 1 11 11 HYP HD22 H 1 3.8 0.02 . 2 . . . . 11 HYP HD2 . 15174 1 72 . 1 1 11 11 HYP HD23 H 1 3.9 0.02 . 2 . . . . 11 HYP HD3 . 15174 1 73 . 1 1 11 11 HYP CA C 13 61.1 0.02 . 1 . . . . 11 HYP CA . 15174 1 74 . 1 1 12 12 CYS H H 1 8.29 0.02 . 1 . . . . 12 CYS H . 15174 1 75 . 1 1 12 12 CYS HA H 1 4.81 0.02 . 1 . . . . 12 CYS HA . 15174 1 76 . 1 1 12 12 CYS HB2 H 1 3.1 0.02 . 2 . . . . 12 CYS HB2 . 15174 1 77 . 1 1 12 12 CYS HB3 H 1 3.17 0.02 . 2 . . . . 12 CYS HB3 . 15174 1 78 . 1 1 12 12 CYS CA C 13 54.4 0.02 . 1 . . . . 12 CYS CA . 15174 1 79 . 1 1 13 13 GLU H H 1 8.79 0.02 . 1 . . . . 13 GLU H . 15174 1 80 . 1 1 13 13 GLU HA H 1 4.16 0.02 . 1 . . . . 13 GLU HA . 15174 1 81 . 1 1 13 13 GLU HB2 H 1 1.44 0.02 . 2 . . . . 13 GLU HB2 . 15174 1 82 . 1 1 13 13 GLU HB3 H 1 1.63 0.02 . 2 . . . . 13 GLU HB3 . 15174 1 83 . 1 1 13 13 GLU HG2 H 1 1.77 0.02 . 2 . . . . 13 GLU HG2 . 15174 1 84 . 1 1 13 13 GLU HG3 H 1 1.95 0.02 . 2 . . . . 13 GLU HG3 . 15174 1 85 . 1 1 13 13 GLU CA C 13 57.1 0.02 . 1 . . . . 13 GLU CA . 15174 1 86 . 1 1 14 14 TYR H H 1 7.91 0.02 . 1 . . . . 14 TYR H . 15174 1 87 . 1 1 14 14 TYR HA H 1 4.82 0.02 . 1 . . . . 14 TYR HA . 15174 1 88 . 1 1 14 14 TYR HB2 H 1 2.55 0.02 . 2 . . . . 14 TYR HB2 . 15174 1 89 . 1 1 14 14 TYR HB3 H 1 3.39 0.02 . 2 . . . . 14 TYR HB3 . 15174 1 90 . 1 1 14 14 TYR HD1 H 1 6.81 0.02 . 1 . . . . 14 TYR HD1 . 15174 1 91 . 1 1 14 14 TYR HD2 H 1 6.81 0.02 . 1 . . . . 14 TYR HD2 . 15174 1 92 . 1 1 14 14 TYR HE1 H 1 7.21 0.02 . 1 . . . . 14 TYR HE1 . 15174 1 93 . 1 1 14 14 TYR HE2 H 1 7.21 0.02 . 1 . . . . 14 TYR HE2 . 15174 1 94 . 1 1 14 14 TYR CA C 13 55.5 0.02 . 1 . . . . 14 TYR CA . 15174 1 95 . 1 1 15 15 HIS H H 1 8.5 0.02 . 1 . . . . 15 HIS H . 15174 1 96 . 1 1 15 15 HIS HA H 1 4.51 0.02 . 1 . . . . 15 HIS HA . 15174 1 97 . 1 1 15 15 HIS HB2 H 1 3.07 0.02 . 1 . . . . 15 HIS HB2 . 15174 1 98 . 1 1 15 15 HIS HB3 H 1 3.07 0.02 . 1 . . . . 15 HIS HB3 . 15174 1 99 . 1 1 15 15 HIS HD1 H 1 7.13 0.02 . 1 . . . . 15 HIS HD1 . 15174 1 100 . 1 1 15 15 HIS HE2 H 1 7.78 0.02 . 1 . . . . 15 HIS HE2 . 15174 1 101 . 1 1 15 15 HIS CA C 13 57.1 0.02 . 1 . . . . 15 HIS CA . 15174 1 102 . 1 1 16 16 ALA H H 1 8.32 0.02 . 1 . . . . 16 ALA H . 15174 1 103 . 1 1 16 16 ALA HA H 1 4.24 0.02 . 1 . . . . 16 ALA HA . 15174 1 104 . 1 1 16 16 ALA HB1 H 1 1.45 0.02 . 1 . . . . 16 ALA HB . 15174 1 105 . 1 1 16 16 ALA HB2 H 1 1.45 0.02 . 1 . . . . 16 ALA HB . 15174 1 106 . 1 1 16 16 ALA HB3 H 1 1.45 0.02 . 1 . . . . 16 ALA HB . 15174 1 107 . 1 1 16 16 ALA CA C 13 54.1 0.02 . 1 . . . . 16 ALA CA . 15174 1 108 . 1 1 17 17 ASP H H 1 7.88 0.02 . 1 . . . . 17 ASP H . 15174 1 109 . 1 1 17 17 ASP HA H 1 4.45 0.02 . 1 . . . . 17 ASP HA . 15174 1 110 . 1 1 17 17 ASP HB2 H 1 2.7 0.02 . 2 . . . . 17 ASP HB2 . 15174 1 111 . 1 1 17 17 ASP HB3 H 1 3.2 0.02 . 2 . . . . 17 ASP HB3 . 15174 1 112 . 1 1 17 17 ASP CA C 13 55.2 0.02 . 1 . . . . 17 ASP CA . 15174 1 113 . 1 1 18 18 CYS H H 1 8.08 0.02 . 1 . . . . 18 CYS H . 15174 1 114 . 1 1 18 18 CYS HA H 1 4.92 0.02 . 1 . . . . 18 CYS HA . 15174 1 115 . 1 1 18 18 CYS HB2 H 1 2.56 0.02 . 2 . . . . 18 CYS HB2 . 15174 1 116 . 1 1 18 18 CYS HB3 H 1 3.16 0.02 . 2 . . . . 18 CYS HB3 . 15174 1 117 . 1 1 18 18 CYS CA C 13 54 0.02 . 1 . . . . 18 CYS CA . 15174 1 118 . 1 1 19 19 CYS H H 1 9.21 0.02 . 1 . . . . 19 CYS H . 15174 1 119 . 1 1 19 19 CYS HA H 1 4.51 0.02 . 1 . . . . 19 CYS HA . 15174 1 120 . 1 1 19 19 CYS HB2 H 1 2.59 0.02 . 2 . . . . 19 CYS HB2 . 15174 1 121 . 1 1 19 19 CYS HB3 H 1 3.14 0.02 . 2 . . . . 19 CYS HB3 . 15174 1 122 . 1 1 19 19 CYS CA C 13 54.3 0.02 . 1 . . . . 19 CYS CA . 15174 1 123 . 1 1 20 20 ASN H H 1 8.58 0.02 . 1 . . . . 20 ASN H . 15174 1 124 . 1 1 20 20 ASN HA H 1 5.03 0.02 . 1 . . . . 20 ASN HA . 15174 1 125 . 1 1 20 20 ASN HB2 H 1 2.42 0.02 . 2 . . . . 20 ASN HB2 . 15174 1 126 . 1 1 20 20 ASN HB3 H 1 2.78 0.02 . 2 . . . . 20 ASN HB3 . 15174 1 127 . 1 1 20 20 ASN HD21 H 1 6.76 0.02 . 1 . . . . 20 ASN HD21 . 15174 1 128 . 1 1 20 20 ASN HD22 H 1 9.13 0.02 . 1 . . . . 20 ASN HD22 . 15174 1 129 . 1 1 20 20 ASN CA C 13 53.2 0.02 . 1 . . . . 20 ASN CA . 15174 1 130 . 1 1 21 21 CYS H H 1 8.12 0.02 . 1 . . . . 21 CYS H . 15174 1 131 . 1 1 21 21 CYS HA H 1 5.25 0.02 . 1 . . . . 21 CYS HA . 15174 1 132 . 1 1 21 21 CYS HB2 H 1 2.65 0.02 . 2 . . . . 21 CYS HB2 . 15174 1 133 . 1 1 21 21 CYS HB3 H 1 3.09 0.02 . 2 . . . . 21 CYS HB3 . 15174 1 134 . 1 1 21 21 CYS CA C 13 53 0.02 . 1 . . . . 21 CYS CA . 15174 1 135 . 1 1 22 22 CYS H H 1 12.1 0.02 . 1 . . . . 22 CYS H . 15174 1 136 . 1 1 22 22 CYS HA H 1 5.08 0.02 . 1 . . . . 22 CYS HA . 15174 1 137 . 1 1 22 22 CYS HB2 H 1 2.56 0.02 . 2 . . . . 22 CYS HB2 . 15174 1 138 . 1 1 22 22 CYS HB3 H 1 2.79 0.02 . 2 . . . . 22 CYS HB3 . 15174 1 139 . 1 1 22 22 CYS CA C 13 55.8 0.02 . 1 . . . . 22 CYS CA . 15174 1 140 . 1 1 23 23 LEU H H 1 8.75 0.02 . 1 . . . . 23 LEU H . 15174 1 141 . 1 1 23 23 LEU HA H 1 4.71 0.02 . 1 . . . . 23 LEU HA . 15174 1 142 . 1 1 23 23 LEU HB2 H 1 1.54 0.02 . 2 . . . . 23 LEU HB2 . 15174 1 143 . 1 1 23 23 LEU HB3 H 1 1.62 0.02 . 2 . . . . 23 LEU HB3 . 15174 1 144 . 1 1 23 23 LEU HG H 1 1.48 0.02 . 1 . . . . 23 LEU HG . 15174 1 145 . 1 1 23 23 LEU HD11 H 1 0.82 0.02 . 2 . . . . 23 LEU HD1 . 15174 1 146 . 1 1 23 23 LEU HD12 H 1 0.82 0.02 . 2 . . . . 23 LEU HD1 . 15174 1 147 . 1 1 23 23 LEU HD13 H 1 0.82 0.02 . 2 . . . . 23 LEU HD1 . 15174 1 148 . 1 1 23 23 LEU HD21 H 1 1.07 0.02 . 2 . . . . 23 LEU HD2 . 15174 1 149 . 1 1 23 23 LEU HD22 H 1 1.07 0.02 . 2 . . . . 23 LEU HD2 . 15174 1 150 . 1 1 23 23 LEU HD23 H 1 1.07 0.02 . 2 . . . . 23 LEU HD2 . 15174 1 151 . 1 1 23 23 LEU CA C 13 57.5 0.02 . 1 . . . . 23 LEU CA . 15174 1 152 . 1 1 24 24 SER H H 1 8.92 0.02 . 1 . . . . 24 SER H . 15174 1 153 . 1 1 24 24 SER HA H 1 3.88 0.02 . 1 . . . . 24 SER HA . 15174 1 154 . 1 1 24 24 SER HB2 H 1 3.83 0.02 . 2 . . . . 24 SER HB2 . 15174 1 155 . 1 1 24 24 SER HB3 H 1 4.09 0.02 . 2 . . . . 24 SER HB3 . 15174 1 156 . 1 1 24 24 SER CA C 13 58.3 0.02 . 1 . . . . 24 SER CA . 15174 1 157 . 1 1 25 25 GLY H H 1 7.61 0.02 . 1 . . . . 25 GLY H . 15174 1 158 . 1 1 25 25 GLY HA2 H 1 3.8 0.02 . 2 . . . . 25 GLY HA2 . 15174 1 159 . 1 1 25 25 GLY HA3 H 1 4.09 0.02 . 2 . . . . 25 GLY HA3 . 15174 1 160 . 1 1 25 25 GLY CA C 13 45.7 0.02 . 1 . . . . 25 GLY CA . 15174 1 161 . 1 1 26 26 ILE H H 1 7.53 0.02 . 1 . . . . 26 ILE H . 15174 1 162 . 1 1 26 26 ILE HA H 1 4.72 0.02 . 1 . . . . 26 ILE HA . 15174 1 163 . 1 1 26 26 ILE HB H 1 1.62 0.02 . 1 . . . . 26 ILE HB . 15174 1 164 . 1 1 26 26 ILE HG12 H 1 1.08 0.02 . 2 . . . . 26 ILE HG12 . 15174 1 165 . 1 1 26 26 ILE HG13 H 1 1.37 0.02 . 2 . . . . 26 ILE HG13 . 15174 1 166 . 1 1 26 26 ILE HG21 H 1 0.81 0.02 . 1 . . . . 26 ILE HG2 . 15174 1 167 . 1 1 26 26 ILE HG22 H 1 0.81 0.02 . 1 . . . . 26 ILE HG2 . 15174 1 168 . 1 1 26 26 ILE HG23 H 1 0.81 0.02 . 1 . . . . 26 ILE HG2 . 15174 1 169 . 1 1 26 26 ILE HD11 H 1 0.75 0.02 . 1 . . . . 26 ILE HD1 . 15174 1 170 . 1 1 26 26 ILE HD12 H 1 0.75 0.02 . 1 . . . . 26 ILE HD1 . 15174 1 171 . 1 1 26 26 ILE HD13 H 1 0.75 0.02 . 1 . . . . 26 ILE HD1 . 15174 1 172 . 1 1 26 26 ILE CA C 13 59.3 0.02 . 1 . . . . 26 ILE CA . 15174 1 173 . 1 1 27 27 CYS H H 1 9 0.02 . 1 . . . . 27 CYS H . 15174 1 174 . 1 1 27 27 CYS HA H 1 5.64 0.02 . 1 . . . . 27 CYS HA . 15174 1 175 . 1 1 27 27 CYS HB2 H 1 3.02 0.02 . 2 . . . . 27 CYS HB2 . 15174 1 176 . 1 1 27 27 CYS HB3 H 1 3.72 0.02 . 2 . . . . 27 CYS HB3 . 15174 1 177 . 1 1 27 27 CYS CA C 13 54.1 0.02 . 1 . . . . 27 CYS CA . 15174 1 178 . 1 1 28 28 ALA H H 1 10.34 0.02 . 1 . . . . 28 ALA H . 15174 1 179 . 1 1 28 28 ALA HA H 1 4.63 0.02 . 1 . . . . 28 ALA HA . 15174 1 180 . 1 1 28 28 ALA HB1 H 1 1.38 0.02 . 1 . . . . 28 ALA HB . 15174 1 181 . 1 1 28 28 ALA HB2 H 1 1.38 0.02 . 1 . . . . 28 ALA HB . 15174 1 182 . 1 1 28 28 ALA HB3 H 1 1.38 0.02 . 1 . . . . 28 ALA HB . 15174 1 183 . 1 1 28 28 ALA CA C 13 51.8 0.02 . 1 . . . . 28 ALA CA . 15174 1 184 . 1 1 29 29 HYP HA H 1 4.54 0.02 . 1 . . . . 29 HYP HA . 15174 1 185 . 1 1 29 29 HYP HB2 H 1 1.82 0.02 . 2 . . . . 29 HYP HB2 . 15174 1 186 . 1 1 29 29 HYP HB3 H 1 2.32 0.02 . 2 . . . . 29 HYP HB3 . 15174 1 187 . 1 1 29 29 HYP HG H 1 4.5 0.02 . 1 . . . . 29 HYP HG . 15174 1 188 . 1 1 29 29 HYP HD22 H 1 3.66 0.02 . 2 . . . . 29 HYP HD2 . 15174 1 189 . 1 1 29 29 HYP HD23 H 1 3.8 0.02 . 2 . . . . 29 HYP HD3 . 15174 1 190 . 1 1 29 29 HYP CA C 13 61.9 0.02 . 1 . . . . 29 HYP CA . 15174 1 191 . 1 1 30 30 SER H H 1 8.58 0.02 . 1 . . . . 30 SER H . 15174 1 192 . 1 1 30 30 SER HA H 1 4.28 0.02 . 1 . . . . 30 SER HA . 15174 1 193 . 1 1 30 30 SER HB2 H 1 3.76 0.02 . 2 . . . . 30 SER HB2 . 15174 1 194 . 1 1 30 30 SER HB3 H 1 3.98 0.02 . 2 . . . . 30 SER HB3 . 15174 1 195 . 1 1 30 30 SER CA C 13 58.4 0.02 . 1 . . . . 30 SER CA . 15174 1 196 . 1 1 31 31 THR H H 1 7.98 0.02 . 1 . . . . 31 THR H . 15174 1 197 . 1 1 31 31 THR HA H 1 4.23 0.02 . 1 . . . . 31 THR HA . 15174 1 198 . 1 1 31 31 THR HB H 1 4.23 0.02 . 1 . . . . 31 THR HB . 15174 1 199 . 1 1 31 31 THR HG21 H 1 1.16 0.02 . 1 . . . . 31 THR HG2 . 15174 1 200 . 1 1 31 31 THR HG22 H 1 1.16 0.02 . 1 . . . . 31 THR HG2 . 15174 1 201 . 1 1 31 31 THR HG23 H 1 1.16 0.02 . 1 . . . . 31 THR HG2 . 15174 1 202 . 1 1 31 31 THR CA C 13 62.3 0.02 . 1 . . . . 31 THR CA . 15174 1 203 . 1 1 32 32 ASN H H 1 8.26 0.02 . 1 . . . . 32 ASN H . 15174 1 204 . 1 1 32 32 ASN HA H 1 4.58 0.02 . 1 . . . . 32 ASN HA . 15174 1 205 . 1 1 32 32 ASN HB2 H 1 2.59 0.02 . 2 . . . . 32 ASN HB2 . 15174 1 206 . 1 1 32 32 ASN HB3 H 1 2.78 0.02 . 2 . . . . 32 ASN HB3 . 15174 1 207 . 1 1 32 32 ASN HD21 H 1 6.76 0.02 . 1 . . . . 32 ASN HD21 . 15174 1 208 . 1 1 32 32 ASN HD22 H 1 7.4 0.02 . 1 . . . . 32 ASN HD22 . 15174 1 209 . 1 1 32 32 ASN CA C 13 53.6 0.02 . 1 . . . . 32 ASN CA . 15174 1 210 . 1 1 33 33 TRP H H 1 7.9 0.02 . 1 . . . . 33 TRP H . 15174 1 211 . 1 1 33 33 TRP HA H 1 4.65 0.02 . 1 . . . . 33 TRP HA . 15174 1 212 . 1 1 33 33 TRP HB2 H 1 3.26 0.02 . 1 . . . . 33 TRP HB2 . 15174 1 213 . 1 1 33 33 TRP HB3 H 1 3.26 0.02 . 1 . . . . 33 TRP HB3 . 15174 1 214 . 1 1 33 33 TRP HD1 H 1 7.23 0.02 . 1 . . . . 33 TRP HD1 . 15174 1 215 . 1 1 33 33 TRP HE1 H 1 10.07 0.02 . 1 . . . . 33 TRP HE1 . 15174 1 216 . 1 1 33 33 TRP HZ2 H 1 7.48 0.02 . 4 . . . . 33 TRP HZ2 . 15174 1 217 . 1 1 33 33 TRP HZ3 H 1 7.62 0.02 . 4 . . . . 33 TRP HZ3 . 15174 1 218 . 1 1 33 33 TRP HH2 H 1 7.15 0.02 . 1 . . . . 33 TRP HH2 . 15174 1 219 . 1 1 33 33 TRP CA C 13 57.7 0.02 . 1 . . . . 33 TRP CA . 15174 1 220 . 1 1 34 34 ILE H H 1 7.64 0.02 . 1 . . . . 34 ILE H . 15174 1 221 . 1 1 34 34 ILE HA H 1 3.98 0.02 . 1 . . . . 34 ILE HA . 15174 1 222 . 1 1 34 34 ILE HB H 1 1.7 0.02 . 1 . . . . 34 ILE HB . 15174 1 223 . 1 1 34 34 ILE HG12 H 1 0.73 0.02 . 2 . . . . 34 ILE HG12 . 15174 1 224 . 1 1 34 34 ILE HG13 H 1 0.93 0.02 . 2 . . . . 34 ILE HG13 . 15174 1 225 . 1 1 34 34 ILE HG21 H 1 1.48 0.02 . 1 . . . . 34 ILE HG2 . 15174 1 226 . 1 1 34 34 ILE HG22 H 1 1.48 0.02 . 1 . . . . 34 ILE HG2 . 15174 1 227 . 1 1 34 34 ILE HG23 H 1 1.48 0.02 . 1 . . . . 34 ILE HG2 . 15174 1 228 . 1 1 34 34 ILE HD11 H 1 1.16 0.02 . 1 . . . . 34 ILE HD1 . 15174 1 229 . 1 1 34 34 ILE HD12 H 1 1.16 0.02 . 1 . . . . 34 ILE HD1 . 15174 1 230 . 1 1 34 34 ILE HD13 H 1 1.16 0.02 . 1 . . . . 34 ILE HD1 . 15174 1 231 . 1 1 34 34 ILE CA C 13 62.2 0.02 . 1 . . . . 34 ILE CA . 15174 1 232 . 1 1 35 35 LEU H H 1 7.58 0.02 . 1 . . . . 35 LEU H . 15174 1 233 . 1 1 35 35 LEU HA H 1 4.68 0.02 . 1 . . . . 35 LEU HA . 15174 1 234 . 1 1 35 35 LEU HB2 H 1 1.48 0.02 . 1 . . . . 35 LEU HB2 . 15174 1 235 . 1 1 35 35 LEU HB3 H 1 1.48 0.02 . 1 . . . . 35 LEU HB3 . 15174 1 236 . 1 1 35 35 LEU HD11 H 1 0.88 0.02 . 2 . . . . 35 LEU HD1 . 15174 1 237 . 1 1 35 35 LEU HD12 H 1 0.88 0.02 . 2 . . . . 35 LEU HD1 . 15174 1 238 . 1 1 35 35 LEU HD13 H 1 0.88 0.02 . 2 . . . . 35 LEU HD1 . 15174 1 239 . 1 1 35 35 LEU HD21 H 1 0.88 0.02 . 2 . . . . 35 LEU HD2 . 15174 1 240 . 1 1 35 35 LEU HD22 H 1 0.88 0.02 . 2 . . . . 35 LEU HD2 . 15174 1 241 . 1 1 35 35 LEU HD23 H 1 0.88 0.02 . 2 . . . . 35 LEU HD2 . 15174 1 242 . 1 1 35 35 LEU CA C 13 52.6 0.02 . 1 . . . . 35 LEU CA . 15174 1 243 . 1 1 36 36 PRO HA H 1 4.41 0.02 . 1 . . . . 36 PRO HA . 15174 1 244 . 1 1 36 36 PRO HB2 H 1 1.91 0.02 . 2 . . . . 36 PRO HB2 . 15174 1 245 . 1 1 36 36 PRO HB3 H 1 2.28 0.02 . 2 . . . . 36 PRO HB3 . 15174 1 246 . 1 1 36 36 PRO HG2 H 1 2.02 0.02 . 1 . . . . 36 PRO HG2 . 15174 1 247 . 1 1 36 36 PRO HG3 H 1 2.02 0.02 . 1 . . . . 36 PRO HG3 . 15174 1 248 . 1 1 36 36 PRO HD2 H 1 3.63 0.02 . 2 . . . . 36 PRO HD2 . 15174 1 249 . 1 1 36 36 PRO HD3 H 1 3.77 0.02 . 2 . . . . 36 PRO HD3 . 15174 1 250 . 1 1 36 36 PRO CA C 13 63.7 0.02 . 1 . . . . 36 PRO CA . 15174 1 251 . 1 1 37 37 GLY H H 1 8.4 0.02 . 1 . . . . 37 GLY H . 15174 1 252 . 1 1 37 37 GLY HA2 H 1 3.84 0.02 . 2 . . . . 37 GLY HA2 . 15174 1 253 . 1 1 37 37 GLY HA3 H 1 4.15 0.02 . 2 . . . . 37 GLY HA3 . 15174 1 254 . 1 1 37 37 GLY CA C 13 45.5 0.02 . 1 . . . . 37 GLY CA . 15174 1 255 . 1 1 38 38 CYS H H 1 8.31 0.02 . 1 . . . . 38 CYS H . 15174 1 256 . 1 1 38 38 CYS HA H 1 4.47 0.02 . 1 . . . . 38 CYS HA . 15174 1 257 . 1 1 38 38 CYS HB2 H 1 2.07 0.02 . 2 . . . . 38 CYS HB2 . 15174 1 258 . 1 1 38 38 CYS HB3 H 1 2.29 0.02 . 2 . . . . 38 CYS HB3 . 15174 1 259 . 1 1 39 39 SER H H 1 8.47 0.02 . 1 . . . . 39 SER H . 15174 1 260 . 1 1 39 39 SER HA H 1 4.29 0.02 . 1 . . . . 39 SER HA . 15174 1 261 . 1 1 39 39 SER HB2 H 1 3.75 0.02 . 2 . . . . 39 SER HB2 . 15174 1 262 . 1 1 39 39 SER HB3 H 1 3.96 0.02 . 2 . . . . 39 SER HB3 . 15174 1 263 . 1 1 40 40 THR H H 1 8.15 0.02 . 1 . . . . 40 THR H . 15174 1 264 . 1 1 40 40 THR HA H 1 4.4 0.02 . 1 . . . . 40 THR HA . 15174 1 265 . 1 1 40 40 THR HB H 1 4.34 0.02 . 1 . . . . 40 THR HB . 15174 1 266 . 1 1 40 40 THR HG21 H 1 1.24 0.02 . 1 . . . . 40 THR HG2 . 15174 1 267 . 1 1 40 40 THR HG22 H 1 1.24 0.02 . 1 . . . . 40 THR HG2 . 15174 1 268 . 1 1 40 40 THR HG23 H 1 1.24 0.02 . 1 . . . . 40 THR HG2 . 15174 1 269 . 1 1 40 40 THR CA C 13 62.1 0.02 . 1 . . . . 40 THR CA . 15174 1 270 . 1 1 41 41 SER H H 1 8.24 0.02 . 1 . . . . 41 SER H . 15174 1 271 . 1 1 41 41 SER HA H 1 4.43 0.02 . 1 . . . . 41 SER HA . 15174 1 272 . 1 1 41 41 SER HB2 H 1 3.83 0.02 . 2 . . . . 41 SER HB2 . 15174 1 273 . 1 1 41 41 SER HB3 H 1 3.89 0.02 . 2 . . . . 41 SER HB3 . 15174 1 274 . 1 1 41 41 SER CA C 13 58.6 0.02 . 1 . . . . 41 SER CA . 15174 1 275 . 1 1 42 42 SER H H 1 8.26 0.02 . 1 . . . . 42 SER H . 15174 1 276 . 1 1 42 42 SER HA H 1 4.4 0.02 . 1 . . . . 42 SER HA . 15174 1 277 . 1 1 42 42 SER HB2 H 1 3.75 0.02 . 1 . . . . 42 SER HB2 . 15174 1 278 . 1 1 42 42 SER HB3 H 1 3.75 0.02 . 1 . . . . 42 SER HB3 . 15174 1 279 . 1 1 42 42 SER CA C 13 59.2 0.02 . 1 . . . . 42 SER CA . 15174 1 280 . 1 1 43 43 PHE H H 1 8.08 0.02 . 1 . . . . 43 PHE H . 15174 1 281 . 1 1 43 43 PHE HA H 1 4.52 0.02 . 1 . . . . 43 PHE HA . 15174 1 282 . 1 1 43 43 PHE HB2 H 1 2.91 0.02 . 2 . . . . 43 PHE HB2 . 15174 1 283 . 1 1 43 43 PHE HB3 H 1 2.98 0.02 . 2 . . . . 43 PHE HB3 . 15174 1 284 . 1 1 43 43 PHE HD1 H 1 7.13 0.02 . 1 . . . . 43 PHE HD1 . 15174 1 285 . 1 1 43 43 PHE HD2 H 1 7.13 0.02 . 1 . . . . 43 PHE HD2 . 15174 1 286 . 1 1 43 43 PHE HE1 H 1 7.3 0.02 . 1 . . . . 43 PHE HE1 . 15174 1 287 . 1 1 43 43 PHE HE2 H 1 7.3 0.02 . 1 . . . . 43 PHE HE2 . 15174 1 288 . 1 1 43 43 PHE CA C 13 58.1 0.02 . 1 . . . . 43 PHE CA . 15174 1 289 . 1 1 44 44 PHE H H 1 7.95 0.02 . 1 . . . . 44 PHE H . 15174 1 290 . 1 1 44 44 PHE HA H 1 4.56 0.02 . 1 . . . . 44 PHE HA . 15174 1 291 . 1 1 44 44 PHE HB2 H 1 2.94 0.02 . 2 . . . . 44 PHE HB2 . 15174 1 292 . 1 1 44 44 PHE HB3 H 1 3.07 0.02 . 2 . . . . 44 PHE HB3 . 15174 1 293 . 1 1 44 44 PHE HD1 H 1 7.2 0.02 . 1 . . . . 44 PHE HD1 . 15174 1 294 . 1 1 44 44 PHE HD2 H 1 7.2 0.02 . 1 . . . . 44 PHE HD2 . 15174 1 295 . 1 1 44 44 PHE HE1 H 1 7.33 0.02 . 1 . . . . 44 PHE HE1 . 15174 1 296 . 1 1 44 44 PHE HE2 H 1 7.33 0.02 . 1 . . . . 44 PHE HE2 . 15174 1 297 . 1 1 44 44 PHE CA C 13 57.7 0.02 . 1 . . . . 44 PHE CA . 15174 1 298 . 1 1 45 45 LYS H H 1 8.04 0.02 . 1 . . . . 45 LYS H . 15174 1 299 . 1 1 45 45 LYS HA H 1 4.28 0.02 . 1 . . . . 45 LYS HA . 15174 1 300 . 1 1 45 45 LYS HB2 H 1 1.66 0.02 . 2 . . . . 45 LYS HB2 . 15174 1 301 . 1 1 45 45 LYS HB3 H 1 1.77 0.02 . 2 . . . . 45 LYS HB3 . 15174 1 302 . 1 1 45 45 LYS HG2 H 1 1.35 0.02 . 1 . . . . 45 LYS HG2 . 15174 1 303 . 1 1 45 45 LYS HG3 H 1 1.35 0.02 . 1 . . . . 45 LYS HG3 . 15174 1 304 . 1 1 45 45 LYS HE2 H 1 2.97 0.02 . 1 . . . . 45 LYS HE2 . 15174 1 305 . 1 1 45 45 LYS HE3 H 1 2.97 0.02 . 1 . . . . 45 LYS HE3 . 15174 1 306 . 1 1 45 45 LYS CA C 13 56.4 0.02 . 1 . . . . 45 LYS CA . 15174 1 307 . 1 1 46 46 ILE H H 1 7.73 0.02 . 1 . . . . 46 ILE H . 15174 1 308 . 1 1 46 46 ILE HA H 1 4.03 0.02 . 1 . . . . 46 ILE HA . 15174 1 309 . 1 1 46 46 ILE HB H 1 1.79 0.02 . 1 . . . . 46 ILE HB . 15174 1 310 . 1 1 46 46 ILE HG12 H 1 1.14 0.02 . 2 . . . . 46 ILE HG12 . 15174 1 311 . 1 1 46 46 ILE HG13 H 1 1.44 0.02 . 2 . . . . 46 ILE HG13 . 15174 1 312 . 1 1 46 46 ILE HG21 H 1 0.89 0.02 . 1 . . . . 46 ILE HG2 . 15174 1 313 . 1 1 46 46 ILE HG22 H 1 0.89 0.02 . 1 . . . . 46 ILE HG2 . 15174 1 314 . 1 1 46 46 ILE HG23 H 1 0.89 0.02 . 1 . . . . 46 ILE HG2 . 15174 1 315 . 1 1 46 46 ILE HD11 H 1 0.88 0.02 . 1 . . . . 46 ILE HD1 . 15174 1 316 . 1 1 46 46 ILE HD12 H 1 0.88 0.02 . 1 . . . . 46 ILE HD1 . 15174 1 317 . 1 1 46 46 ILE HD13 H 1 0.88 0.02 . 1 . . . . 46 ILE HD1 . 15174 1 318 . 1 1 46 46 ILE CA C 13 63.2 0.02 . 1 . . . . 46 ILE CA . 15174 1 stop_ save_