################################### # 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 36009 _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 0.01 _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err 0.1 _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' 1 $sample_1 isotropic 36009 1 2 '2D 1H-1H TOCSY' 1 $sample_1 isotropic 36009 1 3 '2D 1H-15N HSQC' 1 $sample_1 isotropic 36009 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 2 $software_2 . . 36009 1 3 $software_3 . . 36009 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 MET HA H 1 4.116 0.01 . 1 . . . X 1 MET HA . 36009 1 2 . 1 1 1 1 MET HB2 H 1 2.164 0.002 . 2 . . . X 1 MET HB2 . 36009 1 3 . 1 1 1 1 MET HB3 H 1 2.164 0.002 . 2 . . . X 1 MET HB3 . 36009 1 4 . 1 1 1 1 MET HG2 H 1 2.633 0.01 . 2 . . . X 1 MET HG2 . 36009 1 5 . 1 1 1 1 MET HG3 H 1 2.633 0.01 . 2 . . . X 1 MET HG3 . 36009 1 6 . 1 1 2 2 ALA H H 1 8.495 0.003 . 1 . . . X 2 ALA H . 36009 1 7 . 1 1 2 2 ALA HA H 1 4.646 0.01 . 1 . . . X 2 ALA HA . 36009 1 8 . 1 1 2 2 ALA HB1 H 1 1.375 0.01 . 1 . . . X 2 ALA HB1 . 36009 1 9 . 1 1 2 2 ALA HB2 H 1 1.375 0.01 . 1 . . . X 2 ALA HB2 . 36009 1 10 . 1 1 2 2 ALA HB3 H 1 1.375 0.01 . 1 . . . X 2 ALA HB3 . 36009 1 11 . 1 1 2 2 ALA N N 15 127.124 0.1 . 1 . . . X 2 ALA N . 36009 1 12 . 1 1 3 3 PRO HA H 1 4.445 0.001 . 1 . . . X 3 PRO HA . 36009 1 13 . 1 1 3 3 PRO HB3 H 1 2.308 0.01 . 1 . . . X 3 PRO HB3 . 36009 1 14 . 1 1 3 3 PRO HG2 H 1 1.957 0.01 . 2 . . . X 3 PRO HG2 . 36009 1 15 . 1 1 3 3 PRO HG3 H 1 1.957 0.01 . 2 . . . X 3 PRO HG3 . 36009 1 16 . 1 1 3 3 PRO HD2 H 1 3.563 0.01 . 1 . . . X 3 PRO HD2 . 36009 1 17 . 1 1 3 3 PRO HD3 H 1 3.783 0.01 . 1 . . . X 3 PRO HD3 . 36009 1 18 . 1 1 4 4 ARG H H 1 8.303 0.002 . 1 . . . X 4 ARG H . 36009 1 19 . 1 1 4 4 ARG HA H 1 4.298 0.003 . 1 . . . X 4 ARG HA . 36009 1 20 . 1 1 4 4 ARG HB2 H 1 1.843 0.01 . 2 . . . X 4 ARG HB2 . 36009 1 21 . 1 1 4 4 ARG HB3 H 1 1.843 0.01 . 2 . . . X 4 ARG HB3 . 36009 1 22 . 1 1 4 4 ARG HG2 H 1 1.729 0.01 . 1 . . . X 4 ARG HG2 . 36009 1 23 . 1 1 4 4 ARG HG3 H 1 1.674 0.01 . 1 . . . X 4 ARG HG3 . 36009 1 24 . 1 1 4 4 ARG HD2 H 1 3.224 0.01 . 2 . . . X 4 ARG HD2 . 36009 1 25 . 1 1 4 4 ARG HD3 H 1 3.224 0.01 . 2 . . . X 4 ARG HD3 . 36009 1 26 . 1 1 4 4 ARG HE H 1 7.174 0.01 . 1 . . . X 4 ARG HE . 36009 1 27 . 1 1 4 4 ARG N N 15 120.653 0.1 . 1 . . . X 4 ARG N . 36009 1 28 . 1 1 4 4 ARG NE N 15 120.143 0.1 . 1 . . . X 4 ARG NE . 36009 1 29 . 1 1 5 5 GLY H H 1 8.369 0.002 . 1 . . . X 5 GLY H . 36009 1 30 . 1 1 5 5 GLY HA2 H 1 4.024 0.01 . 1 . . . X 5 GLY HA2 . 36009 1 31 . 1 1 5 5 GLY HA3 H 1 3.873 0.01 . 1 . . . X 5 GLY HA3 . 36009 1 32 . 1 1 5 5 GLY N N 15 108.471 0.1 . 1 . . . X 5 GLY N . 36009 1 33 . 1 1 6 6 PHE H H 1 8.052 0.001 . 1 . . . X 6 PHE H . 36009 1 34 . 1 1 6 6 PHE HA H 1 4.418 0.001 . 1 . . . X 6 PHE HA . 36009 1 35 . 1 1 6 6 PHE HB2 H 1 3.098 0.002 . 1 . . . X 6 PHE HB2 . 36009 1 36 . 1 1 6 6 PHE HB3 H 1 3.164 0.006 . 1 . . . X 6 PHE HB3 . 36009 1 37 . 1 1 6 6 PHE HD1 H 1 7.181 0.005 . 3 . . . X 6 PHE HD1 . 36009 1 38 . 1 1 6 6 PHE HD2 H 1 7.181 0.005 . 3 . . . X 6 PHE HD2 . 36009 1 39 . 1 1 6 6 PHE HE1 H 1 7.277 0.003 . 3 . . . X 6 PHE HE1 . 36009 1 40 . 1 1 6 6 PHE HE2 H 1 7.277 0.003 . 3 . . . X 6 PHE HE2 . 36009 1 41 . 1 1 6 6 PHE N N 15 120.691 0.1 . 1 . . . X 6 PHE N . 36009 1 42 . 1 1 7 7 SER H H 1 7.998 0.003 . 1 . . . X 7 SER H . 36009 1 43 . 1 1 7 7 SER HA H 1 4.089 0.01 . 1 . . . X 7 SER HA . 36009 1 44 . 1 1 7 7 SER HB2 H 1 3.974 0.01 . 1 . . . X 7 SER HB2 . 36009 1 45 . 1 1 7 7 SER HB3 H 1 3.881 0.01 . 1 . . . X 7 SER HB3 . 36009 1 46 . 1 1 7 7 SER N N 15 114.093 0.1 . 1 . . . X 7 SER N . 36009 1 47 . 1 1 8 8 CYS H H 1 7.889 0.004 . 1 . . . X 8 CYS H . 36009 1 48 . 1 1 8 8 CYS HA H 1 4.160 0.01 . 1 . . . X 8 CYS HA . 36009 1 49 . 1 1 8 8 CYS HB2 H 1 2.983 0.01 . 2 . . . X 8 CYS HB2 . 36009 1 50 . 1 1 8 8 CYS HB3 H 1 2.983 0.01 . 2 . . . X 8 CYS HB3 . 36009 1 51 . 1 1 8 8 CYS N N 15 119.428 0.1 . 1 . . . X 8 CYS N . 36009 1 52 . 1 1 9 9 LEU H H 1 7.725 0.002 . 1 . . . X 9 LEU H . 36009 1 53 . 1 1 9 9 LEU HA H 1 4.079 0.01 . 1 . . . X 9 LEU HA . 36009 1 54 . 1 1 9 9 LEU HB2 H 1 1.718 0.01 . 2 . . . X 9 LEU HB2 . 36009 1 55 . 1 1 9 9 LEU HB3 H 1 1.718 0.01 . 2 . . . X 9 LEU HB3 . 36009 1 56 . 1 1 9 9 LEU HG H 1 1.647 0.007 . 1 . . . X 9 LEU HG . 36009 1 57 . 1 1 9 9 LEU HD11 H 1 0.911 0.01 . 2 . . . X 9 LEU HD11 . 36009 1 58 . 1 1 9 9 LEU HD12 H 1 0.911 0.01 . 2 . . . X 9 LEU HD12 . 36009 1 59 . 1 1 9 9 LEU HD13 H 1 0.911 0.01 . 2 . . . X 9 LEU HD13 . 36009 1 60 . 1 1 9 9 LEU HD21 H 1 0.855 0.01 . 2 . . . X 9 LEU HD21 . 36009 1 61 . 1 1 9 9 LEU HD22 H 1 0.855 0.01 . 2 . . . X 9 LEU HD22 . 36009 1 62 . 1 1 9 9 LEU HD23 H 1 0.855 0.01 . 2 . . . X 9 LEU HD23 . 36009 1 63 . 1 1 9 9 LEU N N 15 120.601 0.1 . 1 . . . X 9 LEU N . 36009 1 64 . 1 1 10 10 LEU H H 1 7.807 0.001 . 1 . . . X 10 LEU H . 36009 1 65 . 1 1 10 10 LEU HA H 1 3.855 0.01 . 1 . . . X 10 LEU HA . 36009 1 66 . 1 1 10 10 LEU HB2 H 1 1.271 0.01 . 1 . . . X 10 LEU HB2 . 36009 1 67 . 1 1 10 10 LEU HB3 H 1 1.843 0.01 . 1 . . . X 10 LEU HB3 . 36009 1 68 . 1 1 10 10 LEU HG H 1 1.505 0.01 . 1 . . . X 10 LEU HG . 36009 1 69 . 1 1 10 10 LEU HD11 H 1 0.713 0.01 . 2 . . . X 10 LEU HD11 . 36009 1 70 . 1 1 10 10 LEU HD12 H 1 0.713 0.01 . 2 . . . X 10 LEU HD12 . 36009 1 71 . 1 1 10 10 LEU HD13 H 1 0.713 0.01 . 2 . . . X 10 LEU HD13 . 36009 1 72 . 1 1 10 10 LEU HD21 H 1 0.785 0.01 . 2 . . . X 10 LEU HD21 . 36009 1 73 . 1 1 10 10 LEU HD22 H 1 0.785 0.01 . 2 . . . X 10 LEU HD22 . 36009 1 74 . 1 1 10 10 LEU HD23 H 1 0.785 0.01 . 2 . . . X 10 LEU HD23 . 36009 1 75 . 1 1 10 10 LEU N N 15 119.082 0.1 . 1 . . . X 10 LEU N . 36009 1 76 . 1 1 11 11 LEU H H 1 7.582 0.01 . 1 . . . X 11 LEU H . 36009 1 77 . 1 1 11 11 LEU HA H 1 4.081 0.01 . 1 . . . X 11 LEU HA . 36009 1 78 . 1 1 11 11 LEU HB2 H 1 1.769 0.01 . 1 . . . X 11 LEU HB2 . 36009 1 79 . 1 1 11 11 LEU HB3 H 1 1.835 0.01 . 1 . . . X 11 LEU HB3 . 36009 1 80 . 1 1 11 11 LEU HD11 H 1 0.912 0.01 . 2 . . . X 11 LEU HD11 . 36009 1 81 . 1 1 11 11 LEU HD12 H 1 0.912 0.01 . 2 . . . X 11 LEU HD12 . 36009 1 82 . 1 1 11 11 LEU HD13 H 1 0.912 0.01 . 2 . . . X 11 LEU HD13 . 36009 1 83 . 1 1 11 11 LEU HD21 H 1 0.912 0.01 . 2 . . . X 11 LEU HD21 . 36009 1 84 . 1 1 11 11 LEU HD22 H 1 0.912 0.01 . 2 . . . X 11 LEU HD22 . 36009 1 85 . 1 1 11 11 LEU HD23 H 1 0.912 0.01 . 2 . . . X 11 LEU HD23 . 36009 1 86 . 1 1 11 11 LEU N N 15 118.684 0.1 . 1 . . . X 11 LEU N . 36009 1 87 . 1 1 12 12 LEU H H 1 8.447 0.002 . 1 . . . X 12 LEU H . 36009 1 88 . 1 1 12 12 LEU HA H 1 4.125 0.01 . 1 . . . X 12 LEU HA . 36009 1 89 . 1 1 12 12 LEU HB2 H 1 1.624 0.01 . 2 . . . X 12 LEU HB2 . 36009 1 90 . 1 1 12 12 LEU HB3 H 1 1.624 0.01 . 2 . . . X 12 LEU HB3 . 36009 1 91 . 1 1 12 12 LEU HG H 1 1.872 0.01 . 1 . . . X 12 LEU HG . 36009 1 92 . 1 1 12 12 LEU N N 15 119.824 0.1 . 1 . . . X 12 LEU N . 36009 1 93 . 1 1 13 13 THR H H 1 7.783 0.002 . 1 . . . X 13 THR H . 36009 1 94 . 1 1 13 13 THR HA H 1 4.300 0.01 . 1 . . . X 13 THR HA . 36009 1 95 . 1 1 13 13 THR HB H 1 4.456 0.001 . 1 . . . X 13 THR HB . 36009 1 96 . 1 1 13 13 THR HG21 H 1 1.327 0.001 . 1 . . . X 13 THR HG21 . 36009 1 97 . 1 1 13 13 THR HG22 H 1 1.327 0.001 . 1 . . . X 13 THR HG22 . 36009 1 98 . 1 1 13 13 THR HG23 H 1 1.327 0.001 . 1 . . . X 13 THR HG23 . 36009 1 99 . 1 1 13 13 THR N N 15 105.122 0.1 . 1 . . . X 13 THR N . 36009 1 100 . 1 1 14 14 DSN H H 1 7.702 0.001 . 1 . . . X 14 DSN H . 36009 1 101 . 1 1 14 14 DSN N N 15 116.415 0.1 . 1 . . . X 14 DSN N . 36009 1 102 . 1 1 14 14 DSN HA H 1 4.313 0.01 . 1 . . . X 14 DSN HA . 36009 1 103 . 1 1 14 14 DSN HB2 H 1 4.106 0.01 . 1 . . . X 14 DSN HB2 . 36009 1 104 . 1 1 14 14 DSN HB3 H 1 4.106 0.01 . 1 . . . X 14 DSN HB3 . 36009 1 105 . 1 1 15 15 GLU H H 1 8.136 0.001 . 1 . . . X 15 GLU H . 36009 1 106 . 1 1 15 15 GLU HA H 1 4.340 0.001 . 1 . . . X 15 GLU HA . 36009 1 107 . 1 1 15 15 GLU HB2 H 1 2.264 0.01 . 1 . . . X 15 GLU HB2 . 36009 1 108 . 1 1 15 15 GLU HB3 H 1 1.910 0.002 . 1 . . . X 15 GLU HB3 . 36009 1 109 . 1 1 15 15 GLU HG2 H 1 2.463 0.002 . 1 . . . X 15 GLU HG2 . 36009 1 110 . 1 1 15 15 GLU HG3 H 1 2.437 0.003 . 1 . . . X 15 GLU HG3 . 36009 1 111 . 1 1 15 15 GLU N N 15 120.450 0.1 . 1 . . . X 15 GLU N . 36009 1 112 . 1 1 16 16 ILE H H 1 7.452 0.001 . 1 . . . X 16 ILE H . 36009 1 113 . 1 1 16 16 ILE HA H 1 4.093 0.01 . 1 . . . X 16 ILE HA . 36009 1 114 . 1 1 16 16 ILE HB H 1 1.732 0.004 . 1 . . . X 16 ILE HB . 36009 1 115 . 1 1 16 16 ILE HG12 H 1 1.156 0.001 . 2 . . . X 16 ILE HG12 . 36009 1 116 . 1 1 16 16 ILE HG13 H 1 1.156 0.001 . 2 . . . X 16 ILE HG13 . 36009 1 117 . 1 1 16 16 ILE HG21 H 1 0.856 0.01 . 2 . . . X 16 ILE HG21 . 36009 1 118 . 1 1 16 16 ILE HG22 H 1 0.856 0.01 . 2 . . . X 16 ILE HG22 . 36009 1 119 . 1 1 16 16 ILE HG23 H 1 0.856 0.01 . 2 . . . X 16 ILE HG23 . 36009 1 120 . 1 1 16 16 ILE HD11 H 1 1.366 0.01 . 1 . . . X 16 ILE HD11 . 36009 1 121 . 1 1 16 16 ILE HD12 H 1 1.366 0.01 . 1 . . . X 16 ILE HD12 . 36009 1 122 . 1 1 16 16 ILE HD13 H 1 1.366 0.01 . 1 . . . X 16 ILE HD13 . 36009 1 123 . 1 1 16 16 ILE N N 15 116.271 0.1 . 1 . . . X 16 ILE N . 36009 1 124 . 1 1 17 17 ASP H H 1 7.947 0.001 . 1 . . . X 17 ASP H . 36009 1 125 . 1 1 17 17 ASP HA H 1 4.792 0.01 . 1 . . . X 17 ASP HA . 36009 1 126 . 1 1 17 17 ASP HB2 H 1 2.925 0.01 . 1 . . . X 17 ASP HB2 . 36009 1 127 . 1 1 17 17 ASP HB3 H 1 2.755 0.01 . 1 . . . X 17 ASP HB3 . 36009 1 128 . 1 1 17 17 ASP N N 15 119.740 0.1 . 1 . . . X 17 ASP N . 36009 1 129 . 1 1 18 18 LEU H H 1 7.760 0.001 . 1 . . . X 18 LEU H . 36009 1 130 . 1 1 18 18 LEU HA H 1 4.532 0.01 . 1 . . . X 18 LEU HA . 36009 1 131 . 1 1 18 18 LEU HB2 H 1 1.715 0.01 . 2 . . . X 18 LEU HB2 . 36009 1 132 . 1 1 18 18 LEU HB3 H 1 1.715 0.01 . 2 . . . X 18 LEU HB3 . 36009 1 133 . 1 1 18 18 LEU HG H 1 1.531 0.002 . 1 . . . X 18 LEU HG . 36009 1 134 . 1 1 18 18 LEU HD11 H 1 0.948 0.01 . 2 . . . X 18 LEU HD11 . 36009 1 135 . 1 1 18 18 LEU HD12 H 1 0.948 0.01 . 2 . . . X 18 LEU HD12 . 36009 1 136 . 1 1 18 18 LEU HD13 H 1 0.948 0.01 . 2 . . . X 18 LEU HD13 . 36009 1 137 . 1 1 18 18 LEU HD21 H 1 0.914 0.001 . 2 . . . X 18 LEU HD21 . 36009 1 138 . 1 1 18 18 LEU HD22 H 1 0.914 0.001 . 2 . . . X 18 LEU HD22 . 36009 1 139 . 1 1 18 18 LEU HD23 H 1 0.914 0.001 . 2 . . . X 18 LEU HD23 . 36009 1 140 . 1 1 18 18 LEU N N 15 122.450 0.1 . 1 . . . X 18 LEU N . 36009 1 141 . 1 1 19 19 PRO HA H 1 4.458 0.001 . 1 . . . X 19 PRO HA . 36009 1 142 . 1 1 19 19 PRO HB3 H 1 2.229 0.01 . 1 . . . X 19 PRO HB3 . 36009 1 143 . 1 1 19 19 PRO HG2 H 1 2.026 0.01 . 2 . . . X 19 PRO HG2 . 36009 1 144 . 1 1 19 19 PRO HG3 H 1 2.026 0.01 . 2 . . . X 19 PRO HG3 . 36009 1 145 . 1 1 19 19 PRO HD2 H 1 3.628 0.01 . 1 . . . X 19 PRO HD2 . 36009 1 146 . 1 1 19 19 PRO HD3 H 1 3.800 0.01 . 1 . . . X 19 PRO HD3 . 36009 1 147 . 1 1 20 20 VAL H H 1 7.511 0.001 . 1 . . . X 20 VAL H . 36009 1 148 . 1 1 20 20 VAL HA H 1 4.060 0.01 . 1 . . . X 20 VAL HA . 36009 1 149 . 1 1 20 20 VAL HB H 1 2.112 0.01 . 1 . . . X 20 VAL HB . 36009 1 150 . 1 1 20 20 VAL HG11 H 1 0.941 0.01 . 2 . . . X 20 VAL HG11 . 36009 1 151 . 1 1 20 20 VAL HG12 H 1 0.941 0.01 . 2 . . . X 20 VAL HG12 . 36009 1 152 . 1 1 20 20 VAL HG13 H 1 0.941 0.01 . 2 . . . X 20 VAL HG13 . 36009 1 153 . 1 1 20 20 VAL HG21 H 1 0.941 0.01 . 2 . . . X 20 VAL HG21 . 36009 1 154 . 1 1 20 20 VAL HG22 H 1 0.941 0.01 . 2 . . . X 20 VAL HG22 . 36009 1 155 . 1 1 20 20 VAL HG23 H 1 0.941 0.01 . 2 . . . X 20 VAL HG23 . 36009 1 156 . 1 1 20 20 VAL N N 15 116.495 0.1 . 1 . . . X 20 VAL N . 36009 1 157 . 1 1 21 21 LYS H H 1 8.032 0.001 . 1 . . . X 21 LYS H . 36009 1 158 . 1 1 21 21 LYS HA H 1 4.304 0.001 . 1 . . . X 21 LYS HA . 36009 1 159 . 1 1 21 21 LYS HB2 H 1 1.792 0.003 . 1 . . . X 21 LYS HB2 . 36009 1 160 . 1 1 21 21 LYS HB3 H 1 1.864 0.005 . 1 . . . X 21 LYS HB3 . 36009 1 161 . 1 1 21 21 LYS HG2 H 1 1.434 0.002 . 1 . . . X 21 LYS HG2 . 36009 1 162 . 1 1 21 21 LYS HG3 H 1 1.491 0.002 . 1 . . . X 21 LYS HG3 . 36009 1 163 . 1 1 21 21 LYS HD2 H 1 1.705 0.01 . 2 . . . X 21 LYS HD2 . 36009 1 164 . 1 1 21 21 LYS HD3 H 1 1.705 0.01 . 2 . . . X 21 LYS HD3 . 36009 1 165 . 1 1 21 21 LYS HE2 H 1 3.000 0.001 . 2 . . . X 21 LYS HE2 . 36009 1 166 . 1 1 21 21 LYS HE3 H 1 3.000 0.001 . 2 . . . X 21 LYS HE3 . 36009 1 167 . 1 1 21 21 LYS HZ1 H 1 7.610 0.01 . 1 . . . X 21 LYS HZ1 . 36009 1 168 . 1 1 21 21 LYS HZ2 H 1 7.610 0.01 . 1 . . . X 21 LYS HZ2 . 36009 1 169 . 1 1 21 21 LYS HZ3 H 1 7.610 0.01 . 1 . . . X 21 LYS HZ3 . 36009 1 170 . 1 1 21 21 LYS N N 15 122.468 0.1 . 1 . . . X 21 LYS N . 36009 1 171 . 1 1 22 22 ARG H H 1 8.080 0.01 . 1 . . . X 22 ARG H . 36009 1 172 . 1 1 22 22 ARG N N 15 120.730 0.1 . 1 . . . X 22 ARG N . 36009 1 173 . 1 1 23 23 ARG H H 1 8.095 0.01 . 1 . . . X 23 ARG H . 36009 1 174 . 1 1 23 23 ARG N N 15 121.356 0.1 . 1 . . . X 23 ARG N . 36009 1 175 . 1 1 24 24 ALA H H 1 8.095 0.01 . 1 . . . X 24 ALA H . 36009 1 176 . 1 1 24 24 ALA HA H 1 4.293 0.01 . 1 . . . X 24 ALA HA . 36009 1 177 . 1 1 24 24 ALA HB1 H 1 1.414 0.001 . 1 . . . X 24 ALA HB1 . 36009 1 178 . 1 1 24 24 ALA HB2 H 1 1.414 0.001 . 1 . . . X 24 ALA HB2 . 36009 1 179 . 1 1 24 24 ALA HB3 H 1 1.414 0.001 . 1 . . . X 24 ALA HB3 . 36009 1 180 . 1 1 24 24 ALA N N 15 126.854 0.1 . 1 . . . X 24 ALA N . 36009 1 stop_ save_