################################### # 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 34400 _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 0.04 _Assigned_chem_shift_list.Chem_shift_13C_err 0.4 _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' . . . 34400 1 2 '2D 1H-1H TOCSY' . . . 34400 1 3 '2D 1H-13C HSQC' . . . 34400 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 3 $software_3 . . 34400 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.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 3 3 ARG H H 1 8.411 0.04 . 1 . . . . A 1 ARG H . 34400 1 2 . 1 1 3 3 ARG HA H 1 3.928 0.04 . 1 . . . . A 1 ARG HA . 34400 1 3 . 1 1 3 3 ARG HB2 H 1 1.619 0.04 . 1 . . . . A 1 ARG HB2 . 34400 1 4 . 1 1 3 3 ARG HB3 H 1 1.619 0.04 . 1 . . . . A 1 ARG HB3 . 34400 1 5 . 1 1 3 3 ARG HG2 H 1 1.508 0.04 . 1 . . . . A 1 ARG HG2 . 34400 1 6 . 1 1 3 3 ARG HG3 H 1 1.508 0.04 . 1 . . . . A 1 ARG HG3 . 34400 1 7 . 1 1 3 3 ARG HD2 H 1 3.065 0.04 . 1 . . . . A 1 ARG HD2 . 34400 1 8 . 1 1 3 3 ARG HD3 H 1 3.065 0.04 . 1 . . . . A 1 ARG HD3 . 34400 1 9 . 1 1 3 3 ARG HE H 1 7.401 0.04 . 1 . . . . A 1 ARG HE . 34400 1 10 . 1 1 4 4 ARG H H 1 8.495 0.04 . 1 . . . . A 2 ARG H . 34400 1 11 . 1 1 4 4 ARG HA H 1 4 0.04 . 1 . . . . A 2 ARG HA . 34400 1 12 . 1 1 4 4 ARG HB2 H 1 1.52 0.04 . 2 . . . . A 2 ARG HB2 . 34400 1 13 . 1 1 4 4 ARG HB3 H 1 1.595 0.04 . 2 . . . . A 2 ARG HB3 . 34400 1 14 . 1 1 4 4 ARG HG2 H 1 1.254 0.04 . 1 . . . . A 2 ARG HG2 . 34400 1 15 . 1 1 4 4 ARG HG3 H 1 1.254 0.04 . 1 . . . . A 2 ARG HG3 . 34400 1 16 . 1 1 4 4 ARG HD2 H 1 2.952 0.04 . 1 . . . . A 2 ARG HD2 . 34400 1 17 . 1 1 4 4 ARG HD3 H 1 2.952 0.04 . 1 . . . . A 2 ARG HD3 . 34400 1 18 . 1 1 4 4 ARG HE H 1 7.236 0.04 . 1 . . . . A 2 ARG HE . 34400 1 19 . 1 1 5 5 TRP H H 1 7.613 0.04 . 1 . . . . A 3 TRP H . 34400 1 20 . 1 1 5 5 TRP HA H 1 4.446 0.04 . 1 . . . . A 3 TRP HA . 34400 1 21 . 1 1 5 5 TRP HB2 H 1 3.259 0.04 . 1 . . . . A 3 TRP HB2 . 34400 1 22 . 1 1 5 5 TRP HB3 H 1 3.259 0.04 . 1 . . . . A 3 TRP HB3 . 34400 1 23 . 1 1 5 5 TRP HD1 H 1 7.061 0.04 . 1 . . . . A 3 TRP HD1 . 34400 1 24 . 1 1 5 5 TRP HE1 H 1 10.451 0.04 . 1 . . . . A 3 TRP HE1 . 34400 1 25 . 1 1 5 5 TRP HE3 H 1 7.338 0.04 . 1 . . . . A 3 TRP HE3 . 34400 1 26 . 1 1 5 5 TRP HZ2 H 1 7.284 0.04 . 1 . . . . A 3 TRP HZ2 . 34400 1 27 . 1 1 5 5 TRP HZ3 H 1 6.639 0.04 . 1 . . . . A 3 TRP HZ3 . 34400 1 28 . 1 1 5 5 TRP HH2 H 1 6.859 0.04 . 1 . . . . A 3 TRP HH2 . 34400 1 29 . 1 1 5 5 TRP CD1 C 13 126.516 0.4 . 1 . . . . A 3 TRP CD1 . 34400 1 30 . 1 1 5 5 TRP CE3 C 13 120.655 0.4 . 1 . . . . A 3 TRP CE3 . 34400 1 31 . 1 1 5 5 TRP CZ2 C 13 114.619 0.4 . 1 . . . . A 3 TRP CZ2 . 34400 1 32 . 1 1 5 5 TRP CZ3 C 13 121.476 0.4 . 1 . . . . A 3 TRP CZ3 . 34400 1 33 . 1 1 5 5 TRP CH2 C 13 123.909 0.4 . 1 . . . . A 3 TRP CH2 . 34400 1 34 . 1 1 6 6 ARG H H 1 7.779 0.04 . 1 . . . . A 4 ARG H . 34400 1 35 . 1 1 6 6 ARG HA H 1 3.768 0.04 . 1 . . . . A 4 ARG HA . 34400 1 36 . 1 1 6 6 ARG HB2 H 1 1.712 0.04 . 2 . . . . A 4 ARG HB2 . 34400 1 37 . 1 1 6 6 ARG HB3 H 1 1.545 0.04 . 2 . . . . A 4 ARG HB3 . 34400 1 38 . 1 1 6 6 ARG HG2 H 1 1.277 0.04 . 1 . . . . A 4 ARG HG2 . 34400 1 39 . 1 1 6 6 ARG HG3 H 1 1.277 0.04 . 1 . . . . A 4 ARG HG3 . 34400 1 40 . 1 1 6 6 ARG HD2 H 1 3.004 0.04 . 1 . . . . A 4 ARG HD2 . 34400 1 41 . 1 1 6 6 ARG HD3 H 1 3.004 0.04 . 1 . . . . A 4 ARG HD3 . 34400 1 42 . 1 1 6 6 ARG HE H 1 7.439 0.04 . 1 . . . . A 4 ARG HE . 34400 1 43 . 1 1 7 7 ARG H H 1 7.839 0.04 . 1 . . . . A 5 ARG H . 34400 1 44 . 1 1 7 7 ARG HA H 1 3.904 0.04 . 1 . . . . A 5 ARG HA . 34400 1 45 . 1 1 7 7 ARG HB2 H 1 1.679 0.04 . 1 . . . . A 5 ARG HB2 . 34400 1 46 . 1 1 7 7 ARG HB3 H 1 1.679 0.04 . 1 . . . . A 5 ARG HB3 . 34400 1 47 . 1 1 7 7 ARG HG2 H 1 1.461 0.04 . 1 . . . . A 5 ARG HG2 . 34400 1 48 . 1 1 7 7 ARG HG3 H 1 1.461 0.04 . 1 . . . . A 5 ARG HG3 . 34400 1 49 . 1 1 7 7 ARG HD2 H 1 2.997 0.04 . 1 . . . . A 5 ARG HD2 . 34400 1 50 . 1 1 7 7 ARG HD3 H 1 2.997 0.04 . 1 . . . . A 5 ARG HD3 . 34400 1 51 . 1 1 8 8 TRP H H 1 7.704 0.04 . 1 . . . . A 6 TRP H . 34400 1 52 . 1 1 8 8 TRP HA H 1 4.251 0.04 . 1 . . . . A 6 TRP HA . 34400 1 53 . 1 1 8 8 TRP HB2 H 1 3.285 0.04 . 1 . . . . A 6 TRP HB2 . 34400 1 54 . 1 1 8 8 TRP HB3 H 1 3.285 0.04 . 1 . . . . A 6 TRP HB3 . 34400 1 55 . 1 1 8 8 TRP HD1 H 1 7.158 0.04 . 1 . . . . A 6 TRP HD1 . 34400 1 56 . 1 1 8 8 TRP HE1 H 1 10.257 0.04 . 1 . . . . A 6 TRP HE1 . 34400 1 57 . 1 1 8 8 TRP HE3 H 1 7.346 0.04 . 1 . . . . A 6 TRP HE3 . 34400 1 58 . 1 1 8 8 TRP HZ2 H 1 7.187 0.04 . 1 . . . . A 6 TRP HZ2 . 34400 1 59 . 1 1 8 8 TRP HZ3 H 1 6.658 0.04 . 1 . . . . A 6 TRP HZ3 . 34400 1 60 . 1 1 8 8 TRP HH2 H 1 6.797 0.04 . 1 . . . . A 6 TRP HH2 . 34400 1 61 . 1 1 8 8 TRP CD1 C 13 126.4 0.4 . 1 . . . . A 6 TRP CD1 . 34400 1 62 . 1 1 8 8 TRP CE3 C 13 120.509 0.4 . 1 . . . . A 6 TRP CE3 . 34400 1 63 . 1 1 8 8 TRP CZ2 C 13 114.424 0.4 . 1 . . . . A 6 TRP CZ2 . 34400 1 64 . 1 1 8 8 TRP CZ3 C 13 121.153 0.4 . 1 . . . . A 6 TRP CZ3 . 34400 1 65 . 1 1 8 8 TRP CH2 C 13 124.022 0.4 . 1 . . . . A 6 TRP CH2 . 34400 1 66 . 1 1 9 9 TRP H H 1 8.132 0.04 . 1 . . . . A 7 TRP H . 34400 1 67 . 1 1 9 9 TRP HA H 1 4.226 0.04 . 1 . . . . A 7 TRP HA . 34400 1 68 . 1 1 9 9 TRP HB2 H 1 3.362 0.04 . 2 . . . . A 7 TRP HB2 . 34400 1 69 . 1 1 9 9 TRP HB3 H 1 3.275 0.04 . 2 . . . . A 7 TRP HB3 . 34400 1 70 . 1 1 9 9 TRP HD1 H 1 7.033 0.04 . 1 . . . . A 7 TRP HD1 . 34400 1 71 . 1 1 9 9 TRP HE1 H 1 9.625 0.04 . 1 . . . . A 7 TRP HE1 . 34400 1 72 . 1 1 9 9 TRP HE3 H 1 7.426 0.04 . 1 . . . . A 7 TRP HE3 . 34400 1 73 . 1 1 9 9 TRP HZ2 H 1 6.94 0.04 . 1 . . . . A 7 TRP HZ2 . 34400 1 74 . 1 1 9 9 TRP HZ3 H 1 6.801 0.04 . 1 . . . . A 7 TRP HZ3 . 34400 1 75 . 1 1 9 9 TRP HH2 H 1 6.953 0.04 . 1 . . . . A 7 TRP HH2 . 34400 1 76 . 1 1 9 9 TRP CD1 C 13 126.896 0.4 . 1 . . . . A 7 TRP CD1 . 34400 1 77 . 1 1 9 9 TRP CE3 C 13 120.285 0.4 . 1 . . . . A 7 TRP CE3 . 34400 1 78 . 1 1 9 9 TRP CZ2 C 13 114.219 0.4 . 1 . . . . A 7 TRP CZ2 . 34400 1 79 . 1 1 9 9 TRP CZ3 C 13 121.622 0.4 . 1 . . . . A 7 TRP CZ3 . 34400 1 80 . 1 1 9 9 TRP CH2 C 13 123.908 0.4 . 1 . . . . A 7 TRP CH2 . 34400 1 81 . 1 1 10 10 ARG H H 1 7.825 0.04 . 1 . . . . A 8 ARG H . 34400 1 82 . 1 1 10 10 ARG HA H 1 3.768 0.04 . 1 . . . . A 8 ARG HA . 34400 1 83 . 1 1 10 10 ARG HB2 H 1 1.566 0.04 . 2 . . . . A 8 ARG HB2 . 34400 1 84 . 1 1 10 10 ARG HB3 H 1 1.686 0.04 . 2 . . . . A 8 ARG HB3 . 34400 1 85 . 1 1 10 10 ARG HG2 H 1 1.389 0.04 . 1 . . . . A 8 ARG HG2 . 34400 1 86 . 1 1 10 10 ARG HG3 H 1 1.389 0.04 . 1 . . . . A 8 ARG HG3 . 34400 1 87 . 1 1 10 10 ARG HD2 H 1 3.011 0.04 . 1 . . . . A 8 ARG HD2 . 34400 1 88 . 1 1 10 10 ARG HD3 H 1 3.011 0.04 . 1 . . . . A 8 ARG HD3 . 34400 1 89 . 1 1 11 11 ARG H H 1 7.554 0.04 . 1 . . . . A 9 ARG H . 34400 1 90 . 1 1 11 11 ARG HA H 1 3.83 0.04 . 1 . . . . A 9 ARG HA . 34400 1 91 . 1 1 11 11 ARG HB2 H 1 1.681 0.04 . 2 . . . . A 9 ARG HB2 . 34400 1 92 . 1 1 11 11 ARG HB3 H 1 1.494 0.04 . 2 . . . . A 9 ARG HB3 . 34400 1 93 . 1 1 11 11 ARG HG2 H 1 1.3 0.04 . 1 . . . . A 9 ARG HG2 . 34400 1 94 . 1 1 11 11 ARG HG3 H 1 1.3 0.04 . 1 . . . . A 9 ARG HG3 . 34400 1 95 . 1 1 11 11 ARG HD2 H 1 2.934 0.04 . 1 . . . . A 9 ARG HD2 . 34400 1 96 . 1 1 11 11 ARG HD3 H 1 2.934 0.04 . 1 . . . . A 9 ARG HD3 . 34400 1 97 . 1 1 12 12 TRP H H 1 7.818 0.04 . 1 . . . . A 10 TRP H . 34400 1 98 . 1 1 12 12 TRP HA H 1 4.122 0.04 . 1 . . . . A 10 TRP HA . 34400 1 99 . 1 1 12 12 TRP HB2 H 1 2.966 0.04 . 2 . . . . A 10 TRP HB2 . 34400 1 100 . 1 1 12 12 TRP HB3 H 1 2.787 0.04 . 2 . . . . A 10 TRP HB3 . 34400 1 101 . 1 1 12 12 TRP HD1 H 1 6.602 0.04 . 1 . . . . A 10 TRP HD1 . 34400 1 102 . 1 1 12 12 TRP HE1 H 1 9.349 0.04 . 1 . . . . A 10 TRP HE1 . 34400 1 103 . 1 1 12 12 TRP HE3 H 1 7.195 0.04 . 1 . . . . A 10 TRP HE3 . 34400 1 104 . 1 1 12 12 TRP HZ2 H 1 7 0.04 . 1 . . . . A 10 TRP HZ2 . 34400 1 105 . 1 1 12 12 TRP HZ3 H 1 6.772 0.04 . 1 . . . . A 10 TRP HZ3 . 34400 1 106 . 1 1 12 12 TRP HH2 H 1 6.769 0.04 . 1 . . . . A 10 TRP HH2 . 34400 1 107 . 1 1 12 12 TRP CD1 C 13 125.998 0.4 . 1 . . . . A 10 TRP CD1 . 34400 1 108 . 1 1 12 12 TRP CE3 C 13 120.216 0.4 . 1 . . . . A 10 TRP CE3 . 34400 1 109 . 1 1 12 12 TRP CZ2 C 13 114.198 0.4 . 1 . . . . A 10 TRP CZ2 . 34400 1 110 . 1 1 12 12 TRP CZ3 C 13 121.71 0.4 . 1 . . . . A 10 TRP CZ3 . 34400 1 111 . 1 1 12 12 TRP CH2 C 13 123.824 0.4 . 1 . . . . A 10 TRP CH2 . 34400 1 112 . 1 1 13 13 TRP H H 1 8.329 0.04 . 1 . . . . A 11 TRP H . 34400 1 113 . 1 1 13 13 TRP HA H 1 4.055 0.04 . 1 . . . . A 11 TRP HA . 34400 1 114 . 1 1 13 13 TRP HB2 H 1 2.939 0.04 . 2 . . . . A 11 TRP HB2 . 34400 1 115 . 1 1 13 13 TRP HB3 H 1 2.752 0.04 . 2 . . . . A 11 TRP HB3 . 34400 1 116 . 1 1 13 13 TRP HD1 H 1 6.831 0.04 . 1 . . . . A 11 TRP HD1 . 34400 1 117 . 1 1 13 13 TRP HE1 H 1 9.757 0.04 . 1 . . . . A 11 TRP HE1 . 34400 1 118 . 1 1 13 13 TRP HE3 H 1 7.36 0.04 . 1 . . . . A 11 TRP HE3 . 34400 1 119 . 1 1 13 13 TRP HZ2 H 1 7.323 0.04 . 1 . . . . A 11 TRP HZ2 . 34400 1 120 . 1 1 13 13 TRP HZ3 H 1 6.82 0.04 . 1 . . . . A 11 TRP HZ3 . 34400 1 121 . 1 1 13 13 TRP HH2 H 1 7.02 0.04 . 1 . . . . A 11 TRP HH2 . 34400 1 122 . 1 1 13 13 TRP CD1 C 13 127.014 0.4 . 1 . . . . A 11 TRP CD1 . 34400 1 123 . 1 1 13 13 TRP CE3 C 13 121.007 0.4 . 1 . . . . A 11 TRP CE3 . 34400 1 124 . 1 1 13 13 TRP CZ2 C 13 114.238 0.4 . 1 . . . . A 11 TRP CZ2 . 34400 1 125 . 1 1 13 13 TRP CZ3 C 13 121.529 0.4 . 1 . . . . A 11 TRP CZ3 . 34400 1 126 . 1 1 13 13 TRP CH2 C 13 123.82 0.4 . 1 . . . . A 11 TRP CH2 . 34400 1 127 . 1 1 14 14 ARG H H 1 7.518 0.04 . 1 . . . . A 12 ARG H . 34400 1 128 . 1 1 14 14 ARG HA H 1 3.655 0.04 . 1 . . . . A 12 ARG HA . 34400 1 129 . 1 1 14 14 ARG HB2 H 1 1.69 0.04 . 2 . . . . A 12 ARG HB2 . 34400 1 130 . 1 1 14 14 ARG HB3 H 1 1.569 0.04 . 2 . . . . A 12 ARG HB3 . 34400 1 131 . 1 1 14 14 ARG HG2 H 1 1.454 0.04 . 1 . . . . A 12 ARG HG2 . 34400 1 132 . 1 1 14 14 ARG HG3 H 1 1.454 0.04 . 1 . . . . A 12 ARG HG3 . 34400 1 133 . 1 1 14 14 ARG HD2 H 1 3.015 0.04 . 1 . . . . A 12 ARG HD2 . 34400 1 134 . 1 1 14 14 ARG HD3 H 1 3.015 0.04 . 1 . . . . A 12 ARG HD3 . 34400 1 135 . 1 1 15 15 ARG H H 1 7.375 0.04 . 1 . . . . A 13 ARG H . 34400 1 136 . 1 1 15 15 ARG HA H 1 3.913 0.04 . 1 . . . . A 13 ARG HA . 34400 1 137 . 1 1 15 15 ARG HB2 H 1 1.691 0.04 . 1 . . . . A 13 ARG HB2 . 34400 1 138 . 1 1 15 15 ARG HB3 H 1 1.691 0.04 . 1 . . . . A 13 ARG HB3 . 34400 1 139 . 1 1 15 15 ARG HG2 H 1 1.424 0.04 . 1 . . . . A 13 ARG HG2 . 34400 1 140 . 1 1 15 15 ARG HG3 H 1 1.424 0.04 . 1 . . . . A 13 ARG HG3 . 34400 1 141 . 1 1 15 15 ARG HD2 H 1 2.903 0.04 . 1 . . . . A 13 ARG HD2 . 34400 1 142 . 1 1 15 15 ARG HD3 H 1 2.903 0.04 . 1 . . . . A 13 ARG HD3 . 34400 1 143 . 1 1 15 15 ARG HE H 1 7.241 0.04 . 1 . . . . A 13 ARG HE . 34400 1 144 . 1 1 16 16 TRP H H 1 7.842 0.04 . 1 . . . . A 14 TRP H . 34400 1 145 . 1 1 16 16 TRP HA H 1 4.129 0.04 . 1 . . . . A 14 TRP HA . 34400 1 146 . 1 1 16 16 TRP HB2 H 1 2.885 0.04 . 2 . . . . A 14 TRP HB2 . 34400 1 147 . 1 1 16 16 TRP HB3 H 1 2.644 0.04 . 2 . . . . A 14 TRP HB3 . 34400 1 148 . 1 1 16 16 TRP HD1 H 1 6.791 0.04 . 1 . . . . A 14 TRP HD1 . 34400 1 149 . 1 1 16 16 TRP HE1 H 1 9.968 0.04 . 1 . . . . A 14 TRP HE1 . 34400 1 150 . 1 1 16 16 TRP HE3 H 1 7.126 0.04 . 1 . . . . A 14 TRP HE3 . 34400 1 151 . 1 1 16 16 TRP HZ2 H 1 7.262 0.04 . 1 . . . . A 14 TRP HZ2 . 34400 1 152 . 1 1 16 16 TRP HZ3 H 1 6.84 0.04 . 1 . . . . A 14 TRP HZ3 . 34400 1 153 . 1 1 16 16 TRP HH2 H 1 6.934 0.04 . 1 . . . . A 14 TRP HH2 . 34400 1 154 . 1 1 16 16 TRP CD1 C 13 126.75 0.4 . 1 . . . . A 14 TRP CD1 . 34400 1 155 . 1 1 16 16 TRP CE3 C 13 120.596 0.4 . 1 . . . . A 14 TRP CE3 . 34400 1 156 . 1 1 16 16 TRP CZ2 C 13 114.179 0.4 . 1 . . . . A 14 TRP CZ2 . 34400 1 157 . 1 1 16 16 TRP CZ3 C 13 121.183 0.4 . 1 . . . . A 14 TRP CZ3 . 34400 1 158 . 1 1 16 16 TRP CH2 C 13 123.615 0.4 . 1 . . . . A 14 TRP CH2 . 34400 1 159 . 1 1 17 17 ARG H H 1 7.727 0.04 . 1 . . . . A 15 ARG H . 34400 1 160 . 1 1 17 17 ARG HA H 1 3.613 0.04 . 1 . . . . A 15 ARG HA . 34400 1 161 . 1 1 17 17 ARG HB2 H 1 1.427 0.04 . 2 . . . . A 15 ARG HB2 . 34400 1 162 . 1 1 17 17 ARG HB3 H 1 1.325 0.04 . 2 . . . . A 15 ARG HB3 . 34400 1 163 . 1 1 17 17 ARG HG2 H 1 1.08 0.04 . 1 . . . . A 15 ARG HG2 . 34400 1 164 . 1 1 17 17 ARG HG3 H 1 1.08 0.04 . 1 . . . . A 15 ARG HG3 . 34400 1 165 . 1 1 17 17 ARG HD2 H 1 2.661 0.04 . 1 . . . . A 15 ARG HD2 . 34400 1 166 . 1 1 17 17 ARG HD3 H 1 2.661 0.04 . 1 . . . . A 15 ARG HD3 . 34400 1 167 . 1 1 17 17 ARG HE H 1 7.122 0.04 . 1 . . . . A 15 ARG HE . 34400 1 168 . 1 1 18 18 ARG H H 1 7.528 0.04 . 1 . . . . A 16 ARG H . 34400 1 169 . 1 1 18 18 ARG HA H 1 3.98 0.04 . 1 . . . . A 16 ARG HA . 34400 1 170 . 1 1 18 18 ARG HB2 H 1 1.68 0.04 . 1 . . . . A 16 ARG HB2 . 34400 1 171 . 1 1 18 18 ARG HB3 H 1 1.68 0.04 . 1 . . . . A 16 ARG HB3 . 34400 1 172 . 1 1 18 18 ARG HG2 H 1 1.517 0.04 . 1 . . . . A 16 ARG HG2 . 34400 1 173 . 1 1 18 18 ARG HG3 H 1 1.517 0.04 . 1 . . . . A 16 ARG HG3 . 34400 1 174 . 1 1 18 18 ARG HD2 H 1 3.034 0.04 . 1 . . . . A 16 ARG HD2 . 34400 1 175 . 1 1 18 18 ARG HD3 H 1 3.034 0.04 . 1 . . . . A 16 ARG HD3 . 34400 1 176 . 1 1 18 18 ARG HE H 1 7.161 0.04 . 1 . . . . A 16 ARG HE . 34400 1 stop_ save_