################################### # 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 30891 _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 . _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 TOCSY' . . . 30891 1 2 '2D 1H-1H NOESY' . . . 30891 1 3 '2D 1H-13C HSQC' . . . 30891 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 2 2 ILE H H 1 9.3228 . . . . . . . A 2 ILE H . 30891 1 2 . 1 . 1 2 2 ILE HA H 1 3.9351 . . . . . . . A 2 ILE HA . 30891 1 3 . 1 . 1 2 2 ILE HB H 1 1.9189 . . . . . . . A 2 ILE HB . 30891 1 4 . 1 . 1 2 2 ILE HG12 H 1 1.5706 . . . . . . . A 2 ILE HG12 . 30891 1 5 . 1 . 1 2 2 ILE HG13 H 1 1.7012 . . . . . . . A 2 ILE HG13 . 30891 1 6 . 1 . 1 2 2 ILE HG21 H 1 1.2941 . . . . . . . A 2 ILE HG21 . 30891 1 7 . 1 . 1 2 2 ILE HG22 H 1 1.2941 . . . . . . . A 2 ILE HG22 . 30891 1 8 . 1 . 1 2 2 ILE HG23 H 1 1.2941 . . . . . . . A 2 ILE HG23 . 30891 1 9 . 1 . 1 2 2 ILE HD11 H 1 0.9611 . . . . . . . A 2 ILE HD11 . 30891 1 10 . 1 . 1 2 2 ILE HD12 H 1 0.9611 . . . . . . . A 2 ILE HD12 . 30891 1 11 . 1 . 1 2 2 ILE HD13 H 1 0.9611 . . . . . . . A 2 ILE HD13 . 30891 1 12 . 1 . 1 2 2 ILE CA C 13 63.7710 . . . . . . . A 2 ILE CA . 30891 1 13 . 1 . 1 2 2 ILE CB C 13 38.1862 . . . . . . . A 2 ILE CB . 30891 1 14 . 1 . 1 2 2 ILE CD1 C 13 17.8970 . . . . . . . A 2 ILE CD1 . 30891 1 15 . 1 . 1 3 3 LEU H H 1 8.6646 . . . . . . . A 3 LEU H . 30891 1 16 . 1 . 1 3 3 LEU HA H 1 4.0780 . . . . . . . A 3 LEU HA . 30891 1 17 . 1 . 1 3 3 LEU HB2 H 1 1.7081 . . . . . . . A 3 LEU HB2 . 30891 1 18 . 1 . 1 3 3 LEU HB3 H 1 1.7081 . . . . . . . A 3 LEU HB3 . 30891 1 19 . 1 . 1 3 3 LEU HG H 1 1.5709 . . . . . . . A 3 LEU HG . 30891 1 20 . 1 . 1 3 3 LEU HD11 H 1 0.9591 . . . . . . . A 3 LEU HD11 . 30891 1 21 . 1 . 1 3 3 LEU HD12 H 1 0.9591 . . . . . . . A 3 LEU HD12 . 30891 1 22 . 1 . 1 3 3 LEU HD13 H 1 0.9591 . . . . . . . A 3 LEU HD13 . 30891 1 23 . 1 . 1 3 3 LEU HD21 H 1 0.9591 . . . . . . . A 3 LEU HD21 . 30891 1 24 . 1 . 1 3 3 LEU HD22 H 1 0.9591 . . . . . . . A 3 LEU HD22 . 30891 1 25 . 1 . 1 3 3 LEU HD23 H 1 0.9591 . . . . . . . A 3 LEU HD23 . 30891 1 26 . 1 . 1 3 3 LEU CA C 13 57.6319 . . . . . . . A 3 LEU CA . 30891 1 27 . 1 . 1 3 3 LEU CB C 13 40.9160 . . . . . . . A 3 LEU CB . 30891 1 28 . 1 . 1 3 3 LEU CG C 13 28.9916 . . . . . . . A 3 LEU CG . 30891 1 29 . 1 . 1 4 4 ASP H H 1 7.7570 . . . . . . . A 4 ASP H . 30891 1 30 . 1 . 1 4 4 ASP HA H 1 4.4921 . . . . . . . A 4 ASP HA . 30891 1 31 . 1 . 1 4 4 ASP HB2 H 1 2.7885 . . . . . . . A 4 ASP HB2 . 30891 1 32 . 1 . 1 4 4 ASP HB3 H 1 2.7885 . . . . . . . A 4 ASP HB3 . 30891 1 33 . 1 . 1 4 4 ASP CA C 13 56.2499 . . . . . . . A 4 ASP CA . 30891 1 34 . 1 . 1 4 4 ASP CB C 13 41.7921 . . . . . . . A 4 ASP CB . 30891 1 35 . 1 . 1 5 5 ILE H H 1 7.7885 . . . . . . . A 5 ILE H . 30891 1 36 . 1 . 1 5 5 ILE HA H 1 3.7421 . . . . . . . A 5 ILE HA . 30891 1 37 . 1 . 1 5 5 ILE HB H 1 2.0407 . . . . . . . A 5 ILE HB . 30891 1 38 . 1 . 1 5 5 ILE HG12 H 1 0.8900 . . . . . . . A 5 ILE HG12 . 30891 1 39 . 1 . 1 5 5 ILE HG13 H 1 1.6901 . . . . . . . A 5 ILE HG13 . 30891 1 40 . 1 . 1 5 5 ILE HG21 H 1 1.2216 . . . . . . . A 5 ILE HG21 . 30891 1 41 . 1 . 1 5 5 ILE HG22 H 1 1.2216 . . . . . . . A 5 ILE HG22 . 30891 1 42 . 1 . 1 5 5 ILE HG23 H 1 1.2216 . . . . . . . A 5 ILE HG23 . 30891 1 43 . 1 . 1 5 5 ILE HD11 H 1 0.8950 . . . . . . . A 5 ILE HD11 . 30891 1 44 . 1 . 1 5 5 ILE HD12 H 1 0.8950 . . . . . . . A 5 ILE HD12 . 30891 1 45 . 1 . 1 5 5 ILE HD13 H 1 0.8950 . . . . . . . A 5 ILE HD13 . 30891 1 46 . 1 . 1 5 5 ILE CA C 13 64.5078 . . . . . . . A 5 ILE CA . 30891 1 47 . 1 . 1 5 5 ILE CB C 13 37.8072 . . . . . . . A 5 ILE CB . 30891 1 48 . 1 . 1 5 5 ILE CG1 C 13 29.2940 . . . . . . . A 5 ILE CG1 . 30891 1 49 . 1 . 1 5 5 ILE CD1 C 13 13.7017 . . . . . . . A 5 ILE CD1 . 30891 1 50 . 1 . 1 6 6 LYS H H 1 8.4053 . . . . . . . A 6 LYS H . 30891 1 51 . 1 . 1 6 6 LYS HA H 1 3.7609 . . . . . . . A 6 LYS HA . 30891 1 52 . 1 . 1 6 6 LYS HB2 H 1 2.0115 . . . . . . . A 6 LYS HB2 . 30891 1 53 . 1 . 1 6 6 LYS HB3 H 1 1.8700 . . . . . . . A 6 LYS HB3 . 30891 1 54 . 1 . 1 6 6 LYS HG2 H 1 1.5265 . . . . . . . A 6 LYS HG2 . 30891 1 55 . 1 . 1 6 6 LYS HG3 H 1 1.5265 . . . . . . . A 6 LYS HG3 . 30891 1 56 . 1 . 1 6 6 LYS HD2 H 1 1.6914 . . . . . . . A 6 LYS HD2 . 30891 1 57 . 1 . 1 6 6 LYS HD3 H 1 1.6914 . . . . . . . A 6 LYS HD3 . 30891 1 58 . 1 . 1 6 6 LYS HE2 H 1 2.8604 . . . . . . . A 6 LYS HE2 . 30891 1 59 . 1 . 1 6 6 LYS HE3 H 1 2.8604 . . . . . . . A 6 LYS HE3 . 30891 1 60 . 1 . 1 6 6 LYS CA C 13 60.6807 . . . . . . . A 6 LYS CA . 30891 1 61 . 1 . 1 6 6 LYS CB C 13 32.8480 . . . . . . . A 6 LYS CB . 30891 1 62 . 1 . 1 6 6 LYS CG C 13 25.4928 . . . . . . . A 6 LYS CG . 30891 1 63 . 1 . 1 6 6 LYS CD C 13 29.6380 . . . . . . . A 6 LYS CD . 30891 1 64 . 1 . 1 6 6 LYS CE C 13 41.8066 . . . . . . . A 6 LYS CE . 30891 1 65 . 1 . 1 7 7 ASN H H 1 8.1973 . . . . . . . A 7 ASN H . 30891 1 66 . 1 . 1 7 7 ASN HA H 1 4.4826 . . . . . . . A 7 ASN HA . 30891 1 67 . 1 . 1 7 7 ASN HB2 H 1 2.9238 . . . . . . . A 7 ASN HB2 . 30891 1 68 . 1 . 1 7 7 ASN HB3 H 1 2.8299 . . . . . . . A 7 ASN HB3 . 30891 1 69 . 1 . 1 7 7 ASN HD21 H 1 7.7772 . . . . . . . A 7 ASN HD21 . 30891 1 70 . 1 . 1 7 7 ASN HD22 H 1 6.8933 . . . . . . . A 7 ASN HD22 . 30891 1 71 . 1 . 1 7 7 ASN CA C 13 55.9920 . . . . . . . A 7 ASN CA . 30891 1 72 . 1 . 1 7 7 ASN CB C 13 38.0430 . . . . . . . A 7 ASN CB . 30891 1 73 . 1 . 1 8 8 LYS H H 1 7.9801 . . . . . . . A 8 LYS H . 30891 1 74 . 1 . 1 8 8 LYS HA H 1 4.1674 . . . . . . . A 8 LYS HA . 30891 1 75 . 1 . 1 8 8 LYS HB2 H 1 1.8779 . . . . . . . A 8 LYS HB2 . 30891 1 76 . 1 . 1 8 8 LYS HB3 H 1 2.0237 . . . . . . . A 8 LYS HB3 . 30891 1 77 . 1 . 1 8 8 LYS HG2 H 1 1.5388 . . . . . . . A 8 LYS HG2 . 30891 1 78 . 1 . 1 8 8 LYS HG3 H 1 1.5388 . . . . . . . A 8 LYS HG3 . 30891 1 79 . 1 . 1 8 8 LYS HD2 H 1 1.6775 . . . . . . . A 8 LYS HD2 . 30891 1 80 . 1 . 1 8 8 LYS HD3 H 1 1.6775 . . . . . . . A 8 LYS HD3 . 30891 1 81 . 1 . 1 8 8 LYS HE2 H 1 2.9564 . . . . . . . A 8 LYS HE2 . 30891 1 82 . 1 . 1 8 8 LYS HE3 H 1 2.9564 . . . . . . . A 8 LYS HE3 . 30891 1 83 . 1 . 1 8 8 LYS CA C 13 59.4663 . . . . . . . A 8 LYS CA . 30891 1 84 . 1 . 1 8 8 LYS CB C 13 32.6569 . . . . . . . A 8 LYS CB . 30891 1 85 . 1 . 1 8 8 LYS CG C 13 25.2708 . . . . . . . A 8 LYS CG . 30891 1 86 . 1 . 1 8 8 LYS CD C 13 29.4423 . . . . . . . A 8 LYS CD . 30891 1 87 . 1 . 1 8 8 LYS CE C 13 42.0976 . . . . . . . A 8 LYS CE . 30891 1 88 . 1 . 1 9 9 VAL H H 1 8.3672 . . . . . . . A 9 VAL H . 30891 1 89 . 1 . 1 9 9 VAL HA H 1 3.6405 . . . . . . . A 9 VAL HA . 30891 1 90 . 1 . 1 9 9 VAL HB H 1 2.1655 . . . . . . . A 9 VAL HB . 30891 1 91 . 1 . 1 9 9 VAL HG11 H 1 0.8912 . . . . . . . A 9 VAL HG11 . 30891 1 92 . 1 . 1 9 9 VAL HG12 H 1 0.8912 . . . . . . . A 9 VAL HG12 . 30891 1 93 . 1 . 1 9 9 VAL HG13 H 1 0.8912 . . . . . . . A 9 VAL HG13 . 30891 1 94 . 1 . 1 9 9 VAL HG21 H 1 1.0293 . . . . . . . A 9 VAL HG21 . 30891 1 95 . 1 . 1 9 9 VAL HG22 H 1 1.0293 . . . . . . . A 9 VAL HG22 . 30891 1 96 . 1 . 1 9 9 VAL HG23 H 1 1.0293 . . . . . . . A 9 VAL HG23 . 30891 1 97 . 1 . 1 9 9 VAL CA C 13 66.6491 . . . . . . . A 9 VAL CA . 30891 1 98 . 1 . 1 9 9 VAL CB C 13 31.3977 . . . . . . . A 9 VAL CB . 30891 1 99 . 1 . 1 9 9 VAL CG1 C 13 22.3033 . . . . . . . A 9 VAL CG1 . 30891 1 100 . 1 . 1 9 9 VAL CG2 C 13 23.2126 . . . . . . . A 9 VAL CG2 . 30891 1 101 . 1 . 1 10 10 SER H H 1 8.3690 . . . . . . . A 10 SER H . 30891 1 102 . 1 . 1 10 10 SER HA H 1 4.1418 . . . . . . . A 10 SER HA . 30891 1 103 . 1 . 1 10 10 SER HB2 H 1 4.0217 . . . . . . . A 10 SER HB2 . 30891 1 104 . 1 . 1 10 10 SER HB3 H 1 4.0198 . . . . . . . A 10 SER HB3 . 30891 1 105 . 1 . 1 10 10 SER CA C 13 62.2434 . . . . . . . A 10 SER CA . 30891 1 106 . 1 . 1 10 10 SER CB C 13 62.8462 . . . . . . . A 10 SER CB . 30891 1 107 . 1 . 1 11 11 ASN H H 1 8.1483 . . . . . . . A 11 ASN H . 30891 1 108 . 1 . 1 11 11 ASN HA H 1 4.5018 . . . . . . . A 11 ASN HA . 30891 1 109 . 1 . 1 11 11 ASN HB2 H 1 2.9769 . . . . . . . A 11 ASN HB2 . 30891 1 110 . 1 . 1 11 11 ASN HB3 H 1 2.8105 . . . . . . . A 11 ASN HB3 . 30891 1 111 . 1 . 1 11 11 ASN HD21 H 1 7.7036 . . . . . . . A 11 ASN HD21 . 30891 1 112 . 1 . 1 11 11 ASN HD22 H 1 6.9228 . . . . . . . A 11 ASN HD22 . 30891 1 113 . 1 . 1 11 11 ASN CA C 13 56.2186 . . . . . . . A 11 ASN CA . 30891 1 114 . 1 . 1 11 11 ASN CB C 13 38.2465 . . . . . . . A 11 ASN CB . 30891 1 115 . 1 . 1 12 12 LEU H H 1 8.0468 . . . . . . . A 12 LEU H . 30891 1 116 . 1 . 1 12 12 LEU HA H 1 3.8469 . . . . . . . A 12 LEU HA . 30891 1 117 . 1 . 1 12 12 LEU HB2 H 1 1.7211 . . . . . . . A 12 LEU HB2 . 30891 1 118 . 1 . 1 12 12 LEU HB3 H 1 1.7211 . . . . . . . A 12 LEU HB3 . 30891 1 119 . 1 . 1 12 12 LEU HG H 1 1.5320 . . . . . . . A 12 LEU HG . 30891 1 120 . 1 . 1 12 12 LEU HD11 H 1 0.8784 . . . . . . . A 12 LEU HD11 . 30891 1 121 . 1 . 1 12 12 LEU HD12 H 1 0.8784 . . . . . . . A 12 LEU HD12 . 30891 1 122 . 1 . 1 12 12 LEU HD13 H 1 0.8784 . . . . . . . A 12 LEU HD13 . 30891 1 123 . 1 . 1 12 12 LEU HD21 H 1 0.8784 . . . . . . . A 12 LEU HD21 . 30891 1 124 . 1 . 1 12 12 LEU HD22 H 1 0.8784 . . . . . . . A 12 LEU HD22 . 30891 1 125 . 1 . 1 12 12 LEU HD23 H 1 0.8784 . . . . . . . A 12 LEU HD23 . 30891 1 126 . 1 . 1 12 12 LEU CA C 13 59.9097 . . . . . . . A 12 LEU CA . 30891 1 127 . 1 . 1 12 12 LEU CB C 13 41.0994 . . . . . . . A 12 LEU CB . 30891 1 128 . 1 . 1 12 12 LEU CG C 13 29.4598 . . . . . . . A 12 LEU CG . 30891 1 129 . 1 . 1 13 13 PHE H H 1 8.4771 . . . . . . . A 13 PHE H . 30891 1 130 . 1 . 1 13 13 PHE HA H 1 4.1807 . . . . . . . A 13 PHE HA . 30891 1 131 . 1 . 1 13 13 PHE HB2 H 1 3.2979 . . . . . . . A 13 PHE HB2 . 30891 1 132 . 1 . 1 13 13 PHE HB3 H 1 3.1870 . . . . . . . A 13 PHE HB3 . 30891 1 133 . 1 . 1 13 13 PHE HD1 H 1 8.6518 . . . . . . . A 13 PHE HD1 . 30891 1 134 . 1 . 1 13 13 PHE HD2 H 1 8.6518 . . . . . . . A 13 PHE HD2 . 30891 1 135 . 1 . 1 13 13 PHE HE1 H 1 8.1724 . . . . . . . A 13 PHE HE1 . 30891 1 136 . 1 . 1 13 13 PHE HE2 H 1 8.1724 . . . . . . . A 13 PHE HE2 . 30891 1 137 . 1 . 1 13 13 PHE HZ H 1 8.9479 . . . . . . . A 13 PHE HZ . 30891 1 138 . 1 . 1 13 13 PHE CA C 13 60.9202 . . . . . . . A 13 PHE CA . 30891 1 139 . 1 . 1 13 13 PHE CB C 13 38.8903 . . . . . . . A 13 PHE CB . 30891 1 140 . 1 . 1 13 13 PHE CD1 C 13 148.7280 . . . . . . . A 13 PHE CD1 . 30891 1 141 . 1 . 1 13 13 PHE CE2 C 13 131.2148 . . . . . . . A 13 PHE CE2 . 30891 1 142 . 1 . 1 13 13 PHE CZ C 13 147.2589 . . . . . . . A 13 PHE CZ . 30891 1 143 . 1 . 1 14 14 LYS H H 1 8.0483 . . . . . . . A 14 LYS H . 30891 1 144 . 1 . 1 14 14 LYS HA H 1 4.1638 . . . . . . . A 14 LYS HA . 30891 1 145 . 1 . 1 14 14 LYS HB2 H 1 1.8712 . . . . . . . A 14 LYS HB2 . 30891 1 146 . 1 . 1 14 14 LYS HB3 H 1 1.9746 . . . . . . . A 14 LYS HB3 . 30891 1 147 . 1 . 1 14 14 LYS HG2 H 1 1.5564 . . . . . . . A 14 LYS HG2 . 30891 1 148 . 1 . 1 14 14 LYS HG3 H 1 1.5564 . . . . . . . A 14 LYS HG3 . 30891 1 149 . 1 . 1 14 14 LYS HD2 H 1 1.7158 . . . . . . . A 14 LYS HD2 . 30891 1 150 . 1 . 1 14 14 LYS HD3 H 1 1.7158 . . . . . . . A 14 LYS HD3 . 30891 1 151 . 1 . 1 14 14 LYS HE2 H 1 2.9468 . . . . . . . A 14 LYS HE2 . 30891 1 152 . 1 . 1 14 14 LYS HE3 H 1 2.9468 . . . . . . . A 14 LYS HE3 . 30891 1 153 . 1 . 1 14 14 LYS CA C 13 58.1515 . . . . . . . A 14 LYS CA . 30891 1 154 . 1 . 1 14 14 LYS CB C 13 32.9558 . . . . . . . A 14 LYS CB . 30891 1 155 . 1 . 1 14 14 LYS CG C 13 24.9444 . . . . . . . A 14 LYS CG . 30891 1 156 . 1 . 1 14 14 LYS CD C 13 30.0783 . . . . . . . A 14 LYS CD . 30891 1 157 . 1 . 1 14 14 LYS CE C 13 42.3222 . . . . . . . A 14 LYS CE . 30891 1 158 . 1 . 1 15 15 LYS H H 1 7.8221 . . . . . . . A 15 LYS H . 30891 1 159 . 1 . 1 15 15 LYS HA H 1 4.0970 . . . . . . . A 15 LYS HA . 30891 1 160 . 1 . 1 15 15 LYS HB2 H 1 2.0054 . . . . . . . A 15 LYS HB2 . 30891 1 161 . 1 . 1 15 15 LYS HB3 H 1 1.8856 . . . . . . . A 15 LYS HB3 . 30891 1 162 . 1 . 1 15 15 LYS HG2 H 1 1.5582 . . . . . . . A 15 LYS HG2 . 30891 1 163 . 1 . 1 15 15 LYS HG3 H 1 1.5582 . . . . . . . A 15 LYS HG3 . 30891 1 164 . 1 . 1 15 15 LYS HD2 H 1 1.6874 . . . . . . . A 15 LYS HD2 . 30891 1 165 . 1 . 1 15 15 LYS HD3 H 1 1.6874 . . . . . . . A 15 LYS HD3 . 30891 1 166 . 1 . 1 15 15 LYS HE2 H 1 2.9399 . . . . . . . A 15 LYS HE2 . 30891 1 167 . 1 . 1 15 15 LYS HE3 H 1 2.9399 . . . . . . . A 15 LYS HE3 . 30891 1 168 . 1 . 1 15 15 LYS CA C 13 58.8243 . . . . . . . A 15 LYS CA . 30891 1 169 . 1 . 1 15 15 LYS CB C 13 32.2600 . . . . . . . A 15 LYS CB . 30891 1 170 . 1 . 1 15 15 LYS CG C 13 25.3472 . . . . . . . A 15 LYS CG . 30891 1 171 . 1 . 1 15 15 LYS CD C 13 29.1305 . . . . . . . A 15 LYS CD . 30891 1 172 . 1 . 1 15 15 LYS CE C 13 42.0149 . . . . . . . A 15 LYS CE . 30891 1 173 . 1 . 1 16 16 ILE H H 1 8.0581 . . . . . . . A 16 ILE H . 30891 1 174 . 1 . 1 16 16 ILE HA H 1 3.7634 . . . . . . . A 16 ILE HA . 30891 1 175 . 1 . 1 16 16 ILE HB H 1 1.8858 . . . . . . . A 16 ILE HB . 30891 1 176 . 1 . 1 16 16 ILE HG21 H 1 1.1875 . . . . . . . A 16 ILE HG21 . 30891 1 177 . 1 . 1 16 16 ILE HG22 H 1 1.1875 . . . . . . . A 16 ILE HG22 . 30891 1 178 . 1 . 1 16 16 ILE HG23 H 1 1.1875 . . . . . . . A 16 ILE HG23 . 30891 1 179 . 1 . 1 16 16 ILE HD11 H 1 0.8803 . . . . . . . A 16 ILE HD11 . 30891 1 180 . 1 . 1 16 16 ILE HD12 H 1 0.8803 . . . . . . . A 16 ILE HD12 . 30891 1 181 . 1 . 1 16 16 ILE HD13 H 1 0.8803 . . . . . . . A 16 ILE HD13 . 30891 1 182 . 1 . 1 16 16 ILE CA C 13 64.0169 . . . . . . . A 16 ILE CA . 30891 1 183 . 1 . 1 16 16 ILE CB C 13 38.0430 . . . . . . . A 16 ILE CB . 30891 1 184 . 1 . 1 16 16 ILE CD1 C 13 17.7327 . . . . . . . A 16 ILE CD1 . 30891 1 185 . 1 . 1 17 17 LYS H H 1 8.0470 . . . . . . . A 17 LYS H . 30891 1 186 . 1 . 1 17 17 LYS HA H 1 3.9377 . . . . . . . A 17 LYS HA . 30891 1 187 . 1 . 1 17 17 LYS HB2 H 1 1.9013 . . . . . . . A 17 LYS HB2 . 30891 1 188 . 1 . 1 17 17 LYS HB3 H 1 2.0227 . . . . . . . A 17 LYS HB3 . 30891 1 189 . 1 . 1 17 17 LYS HG2 H 1 1.5352 . . . . . . . A 17 LYS HG2 . 30891 1 190 . 1 . 1 17 17 LYS HG3 H 1 1.5352 . . . . . . . A 17 LYS HG3 . 30891 1 191 . 1 . 1 17 17 LYS HD2 H 1 1.7046 . . . . . . . A 17 LYS HD2 . 30891 1 192 . 1 . 1 17 17 LYS HD3 H 1 1.7046 . . . . . . . A 17 LYS HD3 . 30891 1 193 . 1 . 1 17 17 LYS HE2 H 1 2.8488 . . . . . . . A 17 LYS HE2 . 30891 1 194 . 1 . 1 17 17 LYS HE3 H 1 2.8488 . . . . . . . A 17 LYS HE3 . 30891 1 195 . 1 . 1 17 17 LYS CA C 13 58.1039 . . . . . . . A 17 LYS CA . 30891 1 196 . 1 . 1 17 17 LYS CB C 13 32.4119 . . . . . . . A 17 LYS CB . 30891 1 197 . 1 . 1 17 17 LYS CG C 13 25.6953 . . . . . . . A 17 LYS CG . 30891 1 198 . 1 . 1 17 17 LYS CD C 13 29.7991 . . . . . . . A 17 LYS CD . 30891 1 199 . 1 . 1 17 17 LYS CE C 13 41.5388 . . . . . . . A 17 LYS CE . 30891 1 200 . 1 . 1 18 18 GLY H H 1 7.8157 . . . . . . . A 18 GLY H . 30891 1 201 . 1 . 1 18 18 GLY HA2 H 1 3.9145 . . . . . . . A 18 GLY HA2 . 30891 1 202 . 1 . 1 18 18 GLY HA3 H 1 3.9145 . . . . . . . A 18 GLY HA3 . 30891 1 203 . 1 . 1 18 18 GLY CA C 13 45.7864 . . . . . . . A 18 GLY CA . 30891 1 204 . 1 . 1 19 19 GLU H H 1 7.9457 . . . . . . . A 19 GLU H . 30891 1 205 . 1 . 1 19 19 GLU HA H 1 4.2840 . . . . . . . A 19 GLU HA . 30891 1 206 . 1 . 1 19 19 GLU HB2 H 1 2.0989 . . . . . . . A 19 GLU HB2 . 30891 1 207 . 1 . 1 19 19 GLU HB3 H 1 2.0291 . . . . . . . A 19 GLU HB3 . 30891 1 208 . 1 . 1 19 19 GLU HG2 H 1 2.4357 . . . . . . . A 19 GLU HG2 . 30891 1 209 . 1 . 1 19 19 GLU HG3 H 1 2.4357 . . . . . . . A 19 GLU HG3 . 30891 1 210 . 1 . 1 19 19 GLU CA C 13 56.4798 . . . . . . . A 19 GLU CA . 30891 1 211 . 1 . 1 19 19 GLU CB C 13 29.2321 . . . . . . . A 19 GLU CB . 30891 1 212 . 1 . 1 19 19 GLU CG C 13 33.8303 . . . . . . . A 19 GLU CG . 30891 1 213 . 1 . 1 20 20 LYS H H 1 8.1485 . . . . . . . A 20 LYS H . 30891 1 214 . 1 . 1 20 20 LYS HA H 1 4.2294 . . . . . . . A 20 LYS HA . 30891 1 215 . 1 . 1 20 20 LYS HB2 H 1 1.8549 . . . . . . . A 20 LYS HB2 . 30891 1 216 . 1 . 1 20 20 LYS HB3 H 1 1.7613 . . . . . . . A 20 LYS HB3 . 30891 1 217 . 1 . 1 20 20 LYS HG2 H 1 1.4576 . . . . . . . A 20 LYS HG2 . 30891 1 218 . 1 . 1 20 20 LYS HG3 H 1 1.4576 . . . . . . . A 20 LYS HG3 . 30891 1 219 . 1 . 1 20 20 LYS HD2 H 1 1.6687 . . . . . . . A 20 LYS HD2 . 30891 1 220 . 1 . 1 20 20 LYS HD3 H 1 1.6687 . . . . . . . A 20 LYS HD3 . 30891 1 221 . 1 . 1 20 20 LYS HE2 H 1 2.9544 . . . . . . . A 20 LYS HE2 . 30891 1 222 . 1 . 1 20 20 LYS HE3 H 1 2.9544 . . . . . . . A 20 LYS HE3 . 30891 1 223 . 1 . 1 20 20 LYS CA C 13 56.2158 . . . . . . . A 20 LYS CA . 30891 1 224 . 1 . 1 20 20 LYS CB C 13 33.0703 . . . . . . . A 20 LYS CB . 30891 1 225 . 1 . 1 20 20 LYS CG C 13 25.7766 . . . . . . . A 20 LYS CG . 30891 1 226 . 1 . 1 20 20 LYS CD C 13 28.5791 . . . . . . . A 20 LYS CD . 30891 1 227 . 1 . 1 20 20 LYS CE C 13 42.4781 . . . . . . . A 20 LYS CE . 30891 1 228 . 1 . 1 21 21 NH2 HN1 H 1 7.1151 . . . . . . . A 21 NH2 HN1 . 30891 1 229 . 1 . 1 21 21 NH2 HN2 H 1 7.4550 . . . . . . . A 21 NH2 HN2 . 30891 1 stop_ save_