################################### # 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 34790 _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' . . . 34790 1 2 '2D 1H-1H NOESY' . . . 34790 1 3 '2D 1H-15N HSQC' . . . 34790 1 4 '2D 1H-13C HSQC' . . . 34790 1 5 '2D 1H-1H COSY' . . . 34790 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 1 1 ALA HA H 1 4.168 0.000 . 1 . . . . A 1 ALA HA . 34790 1 2 . 1 . 1 1 1 ALA HB1 H 1 1.575 0.000 . 1 . . . . A 1 ALA HB1 . 34790 1 3 . 1 . 1 1 1 ALA HB2 H 1 1.575 0.000 . 1 . . . . A 1 ALA HB2 . 34790 1 4 . 1 . 1 1 1 ALA HB3 H 1 1.575 0.000 . 1 . . . . A 1 ALA HB3 . 34790 1 5 . 1 . 1 2 2 CYS H H 1 8.604 0.000 . 1 . . . . A 2 CYS H . 34790 1 6 . 1 . 1 2 2 CYS HA H 1 4.679 0.000 . 1 . . . . A 2 CYS HA . 34790 1 7 . 1 . 1 2 2 CYS HB2 H 1 2.821 0.000 . 1 . . . . A 2 CYS HB2 . 34790 1 8 . 1 . 1 2 2 CYS HB3 H 1 3.143 0.000 . 1 . . . . A 2 CYS HB3 . 34790 1 9 . 1 . 1 3 3 ARG H H 1 9.234 0.000 . 1 . . . . A 3 ARG H . 34790 1 10 . 1 . 1 3 3 ARG HA H 1 4.442 0.000 . 1 . . . . A 3 ARG HA . 34790 1 11 . 1 . 1 3 3 ARG HB2 H 1 1.656 0.000 . 1 . . . . A 3 ARG HB2 . 34790 1 12 . 1 . 1 3 3 ARG HB3 H 1 1.953 0.000 . 1 . . . . A 3 ARG HB3 . 34790 1 13 . 1 . 1 3 3 ARG HG2 H 1 1.777 0.000 . 1 . . . . A 3 ARG HG2 . 34790 1 14 . 1 . 1 3 3 ARG HG3 H 1 2.041 0.000 . 1 . . . . A 3 ARG HG3 . 34790 1 15 . 1 . 1 3 3 ARG HD2 H 1 3.256 0.000 . 1 . . . . A 3 ARG HD2 . 34790 1 16 . 1 . 1 3 3 ARG HD3 H 1 3.256 0.000 . 1 . . . . A 3 ARG HD3 . 34790 1 17 . 1 . 1 3 3 ARG HE H 1 7.239 0.000 . 1 . . . . A 3 ARG HE . 34790 1 18 . 1 . 1 4 4 GLU H H 1 8.316 0.000 . 1 . . . . A 4 GLU H . 34790 1 19 . 1 . 1 4 4 GLU HA H 1 4.076 0.000 . 1 . . . . A 4 GLU HA . 34790 1 20 . 1 . 1 4 4 GLU HB2 H 1 2.332 0.000 . 1 . . . . A 4 GLU HB2 . 34790 1 21 . 1 . 1 4 4 GLU HB3 H 1 1.894 0.000 . 1 . . . . A 4 GLU HB3 . 34790 1 22 . 1 . 1 4 4 GLU HG2 H 1 2.464 0.000 . 1 . . . . A 4 GLU HG2 . 34790 1 23 . 1 . 1 4 4 GLU HG3 H 1 2.338 0.000 . 1 . . . . A 4 GLU HG3 . 34790 1 24 . 1 . 1 5 5 TRP H H 1 8.091 0.000 . 1 . . . . A 5 TRP H . 34790 1 25 . 1 . 1 5 5 TRP HA H 1 3.520 0.000 . 1 . . . . A 5 TRP HA . 34790 1 26 . 1 . 1 5 5 TRP HB2 H 1 2.547 0.000 . 1 . . . . A 5 TRP HB2 . 34790 1 27 . 1 . 1 5 5 TRP HB3 H 1 3.043 0.000 . 1 . . . . A 5 TRP HB3 . 34790 1 28 . 1 . 1 5 5 TRP HD1 H 1 6.385 0.000 . 1 . . . . A 5 TRP HD1 . 34790 1 29 . 1 . 1 5 5 TRP HE1 H 1 10.381 0.000 . 1 . . . . A 5 TRP HE1 . 34790 1 30 . 1 . 1 5 5 TRP HE3 H 1 7.515 0.000 . 1 . . . . A 5 TRP HE3 . 34790 1 31 . 1 . 1 5 5 TRP HZ2 H 1 7.590 0.000 . 1 . . . . A 5 TRP HZ2 . 34790 1 32 . 1 . 1 5 5 TRP HZ3 H 1 7.187 0.000 . 1 . . . . A 5 TRP HZ3 . 34790 1 33 . 1 . 1 5 5 TRP HH2 H 1 7.305 0.000 . 1 . . . . A 5 TRP HH2 . 34790 1 34 . 1 . 1 6 6 LEU H H 1 8.418 0.000 . 1 . . . . A 6 LEU H . 34790 1 35 . 1 . 1 6 6 LEU HA H 1 2.992 0.000 . 1 . . . . A 6 LEU HA . 34790 1 36 . 1 . 1 6 6 LEU HB2 H 1 1.475 0.000 . 1 . . . . A 6 LEU HB2 . 34790 1 37 . 1 . 1 6 6 LEU HB3 H 1 0.904 0.000 . 1 . . . . A 6 LEU HB3 . 34790 1 38 . 1 . 1 6 6 LEU HG H 1 -0.118 0.000 . 1 . . . . A 6 LEU HG . 34790 1 39 . 1 . 1 6 6 LEU HD11 H 1 -0.541 0.000 . 1 . . . . A 6 LEU HD11 . 34790 1 40 . 1 . 1 6 6 LEU HD12 H 1 -0.541 0.000 . 1 . . . . A 6 LEU HD12 . 34790 1 41 . 1 . 1 6 6 LEU HD13 H 1 -0.541 0.000 . 1 . . . . A 6 LEU HD13 . 34790 1 42 . 1 . 1 6 6 LEU HD21 H 1 -0.118 0.000 . 1 . . . . A 6 LEU HD21 . 34790 1 43 . 1 . 1 6 6 LEU HD22 H 1 -0.118 0.000 . 1 . . . . A 6 LEU HD22 . 34790 1 44 . 1 . 1 6 6 LEU HD23 H 1 -0.118 0.000 . 1 . . . . A 6 LEU HD23 . 34790 1 45 . 1 . 1 7 7 GLY H H 1 8.995 0.000 . 1 . . . . A 7 GLY H . 34790 1 46 . 1 . 1 7 7 GLY HA2 H 1 4.003 0.000 . 1 . . . . A 7 GLY HA2 . 34790 1 47 . 1 . 1 7 7 GLY HA3 H 1 3.410 0.000 . 1 . . . . A 7 GLY HA3 . 34790 1 48 . 1 . 1 8 8 GLY H H 1 8.576 0.000 . 1 . . . . A 8 GLY H . 34790 1 49 . 1 . 1 8 8 GLY HA2 H 1 3.731 0.000 . 1 . . . . A 8 GLY HA2 . 34790 1 50 . 1 . 1 8 8 GLY HA3 H 1 4.217 0.000 . 1 . . . . A 8 GLY HA3 . 34790 1 51 . 1 . 1 9 9 CYS H H 1 7.484 0.000 . 1 . . . . A 9 CYS H . 34790 1 52 . 1 . 1 9 9 CYS HA H 1 4.935 0.000 . 1 . . . . A 9 CYS HA . 34790 1 53 . 1 . 1 9 9 CYS HB2 H 1 3.213 0.000 . 1 . . . . A 9 CYS HB2 . 34790 1 54 . 1 . 1 9 9 CYS HB3 H 1 3.212 0.000 . 1 . . . . A 9 CYS HB3 . 34790 1 55 . 1 . 1 10 10 SER H H 1 9.621 0.000 . 1 . . . . A 10 SER H . 34790 1 56 . 1 . 1 10 10 SER HA H 1 4.631 0.000 . 1 . . . . A 10 SER HA . 34790 1 57 . 1 . 1 10 10 SER HB2 H 1 3.848 0.000 . 1 . . . . A 10 SER HB2 . 34790 1 58 . 1 . 1 10 10 SER HB3 H 1 3.866 0.000 . 1 . . . . A 10 SER HB3 . 34790 1 59 . 1 . 1 11 11 LYS H H 1 7.988 0.000 . 1 . . . . A 11 LYS H . 34790 1 60 . 1 . 1 11 11 LYS HA H 1 4.646 0.000 . 1 . . . . A 11 LYS HA . 34790 1 61 . 1 . 1 11 11 LYS HB2 H 1 1.865 0.000 . 1 . . . . A 11 LYS HB2 . 34790 1 62 . 1 . 1 11 11 LYS HB3 H 1 1.983 0.000 . 1 . . . . A 11 LYS HB3 . 34790 1 63 . 1 . 1 11 11 LYS HG2 H 1 1.456 0.000 . 1 . . . . A 11 LYS HG2 . 34790 1 64 . 1 . 1 11 11 LYS HG3 H 1 1.038 0.000 . 1 . . . . A 11 LYS HG3 . 34790 1 65 . 1 . 1 11 11 LYS HD2 H 1 1.681 0.000 . 1 . . . . A 11 LYS HD2 . 34790 1 66 . 1 . 1 11 11 LYS HD3 H 1 1.595 0.000 . 1 . . . . A 11 LYS HD3 . 34790 1 67 . 1 . 1 11 11 LYS HE2 H 1 2.982 0.000 . 1 . . . . A 11 LYS HE2 . 34790 1 68 . 1 . 1 11 11 LYS HE3 H 1 2.863 0.000 . 1 . . . . A 11 LYS HE3 . 34790 1 69 . 1 . 1 12 12 ASP H H 1 9.001 0.000 . 1 . . . . A 12 ASP H . 34790 1 70 . 1 . 1 12 12 ASP HA H 1 4.115 0.000 . 1 . . . . A 12 ASP HA . 34790 1 71 . 1 . 1 12 12 ASP HB2 H 1 2.624 0.000 . 1 . . . . A 12 ASP HB2 . 34790 1 72 . 1 . 1 12 12 ASP HB3 H 1 2.907 0.000 . 1 . . . . A 12 ASP HB3 . 34790 1 73 . 1 . 1 13 13 ALA H H 1 8.306 0.000 . 1 . . . . A 13 ALA H . 34790 1 74 . 1 . 1 13 13 ALA HA H 1 4.224 0.000 . 1 . . . . A 13 ALA HA . 34790 1 75 . 1 . 1 13 13 ALA HB1 H 1 1.376 0.000 . 1 . . . . A 13 ALA HB1 . 34790 1 76 . 1 . 1 13 13 ALA HB2 H 1 1.376 0.000 . 1 . . . . A 13 ALA HB2 . 34790 1 77 . 1 . 1 13 13 ALA HB3 H 1 1.376 0.000 . 1 . . . . A 13 ALA HB3 . 34790 1 78 . 1 . 1 14 14 ASP H H 1 8.020 0.000 . 1 . . . . A 14 ASP H . 34790 1 79 . 1 . 1 14 14 ASP HA H 1 5.056 0.000 . 1 . . . . A 14 ASP HA . 34790 1 80 . 1 . 1 14 14 ASP HB2 H 1 3.172 0.000 . 1 . . . . A 14 ASP HB2 . 34790 1 81 . 1 . 1 14 14 ASP HB3 H 1 2.800 0.000 . 1 . . . . A 14 ASP HB3 . 34790 1 82 . 1 . 1 15 15 CYS H H 1 7.682 0.000 . 1 . . . . A 15 CYS H . 34790 1 83 . 1 . 1 15 15 CYS HA H 1 4.448 0.000 . 1 . . . . A 15 CYS HA . 34790 1 84 . 1 . 1 15 15 CYS HB2 H 1 3.006 0.000 . 1 . . . . A 15 CYS HB2 . 34790 1 85 . 1 . 1 15 15 CYS HB3 H 1 2.827 0.000 . 1 . . . . A 15 CYS HB3 . 34790 1 86 . 1 . 1 16 16 CYS H H 1 8.999 0.000 . 1 . . . . A 16 CYS H . 34790 1 87 . 1 . 1 16 16 CYS HA H 1 4.639 0.000 . 1 . . . . A 16 CYS HA . 34790 1 88 . 1 . 1 16 16 CYS HB2 H 1 2.547 0.000 . 1 . . . . A 16 CYS HB2 . 34790 1 89 . 1 . 1 16 16 CYS HB3 H 1 3.524 0.000 . 1 . . . . A 16 CYS HB3 . 34790 1 90 . 1 . 1 17 17 ALA H H 1 7.825 0.000 . 1 . . . . A 17 ALA H . 34790 1 91 . 1 . 1 17 17 ALA HA H 1 4.025 0.000 . 1 . . . . A 17 ALA HA . 34790 1 92 . 1 . 1 17 17 ALA HB1 H 1 1.175 0.000 . 1 . . . . A 17 ALA HB1 . 34790 1 93 . 1 . 1 17 17 ALA HB2 H 1 1.175 0.000 . 1 . . . . A 17 ALA HB2 . 34790 1 94 . 1 . 1 17 17 ALA HB3 H 1 1.175 0.000 . 1 . . . . A 17 ALA HB3 . 34790 1 95 . 1 . 1 18 18 HIS H H 1 8.577 0.000 . 1 . . . . A 18 HIS H . 34790 1 96 . 1 . 1 18 18 HIS HA H 1 4.275 0.000 . 1 . . . . A 18 HIS HA . 34790 1 97 . 1 . 1 18 18 HIS HB2 H 1 3.972 0.000 . 1 . . . . A 18 HIS HB2 . 34790 1 98 . 1 . 1 18 18 HIS HB3 H 1 3.657 0.000 . 1 . . . . A 18 HIS HB3 . 34790 1 99 . 1 . 1 18 18 HIS HD2 H 1 7.258 0.000 . 1 . . . . A 18 HIS HD2 . 34790 1 100 . 1 . 1 18 18 HIS HE1 H 1 8.632 0.000 . 1 . . . . A 18 HIS HE1 . 34790 1 101 . 1 . 1 19 19 LEU H H 1 7.709 0.000 . 1 . . . . A 19 LEU H . 34790 1 102 . 1 . 1 19 19 LEU HA H 1 5.164 0.000 . 1 . . . . A 19 LEU HA . 34790 1 103 . 1 . 1 19 19 LEU HB2 H 1 0.995 0.000 . 1 . . . . A 19 LEU HB2 . 34790 1 104 . 1 . 1 19 19 LEU HB3 H 1 2.207 0.000 . 1 . . . . A 19 LEU HB3 . 34790 1 105 . 1 . 1 19 19 LEU HG H 1 1.282 0.000 . 1 . . . . A 19 LEU HG . 34790 1 106 . 1 . 1 19 19 LEU HD11 H 1 -0.318 0.000 . 1 . . . . A 19 LEU HD11 . 34790 1 107 . 1 . 1 19 19 LEU HD12 H 1 -0.318 0.000 . 1 . . . . A 19 LEU HD12 . 34790 1 108 . 1 . 1 19 19 LEU HD13 H 1 -0.318 0.000 . 1 . . . . A 19 LEU HD13 . 34790 1 109 . 1 . 1 19 19 LEU HD21 H 1 0.592 0.000 . 1 . . . . A 19 LEU HD21 . 34790 1 110 . 1 . 1 19 19 LEU HD22 H 1 0.592 0.000 . 1 . . . . A 19 LEU HD22 . 34790 1 111 . 1 . 1 19 19 LEU HD23 H 1 0.592 0.000 . 1 . . . . A 19 LEU HD23 . 34790 1 112 . 1 . 1 20 20 GLU H H 1 9.279 0.000 . 1 . . . . A 20 GLU H . 34790 1 113 . 1 . 1 20 20 GLU HA H 1 4.481 0.000 . 1 . . . . A 20 GLU HA . 34790 1 114 . 1 . 1 20 20 GLU HB2 H 1 1.879 0.000 . 1 . . . . A 20 GLU HB2 . 34790 1 115 . 1 . 1 20 20 GLU HB3 H 1 1.978 0.000 . 1 . . . . A 20 GLU HB3 . 34790 1 116 . 1 . 1 20 20 GLU HG2 H 1 2.010 0.000 . 1 . . . . A 20 GLU HG2 . 34790 1 117 . 1 . 1 20 20 GLU HG3 H 1 2.157 0.000 . 1 . . . . A 20 GLU HG3 . 34790 1 118 . 1 . 1 21 21 CYS H H 1 9.544 0.000 . 1 . . . . A 21 CYS H . 34790 1 119 . 1 . 1 21 21 CYS HA H 1 4.648 0.000 . 1 . . . . A 21 CYS HA . 34790 1 120 . 1 . 1 21 21 CYS HB2 H 1 2.664 0.000 . 1 . . . . A 21 CYS HB2 . 34790 1 121 . 1 . 1 21 21 CYS HB3 H 1 2.553 0.000 . 1 . . . . A 21 CYS HB3 . 34790 1 122 . 1 . 1 22 22 ARG H H 1 8.017 0.000 . 1 . . . . A 22 ARG H . 34790 1 123 . 1 . 1 22 22 ARG HA H 1 4.074 0.000 . 1 . . . . A 22 ARG HA . 34790 1 124 . 1 . 1 22 22 ARG HB2 H 1 1.791 0.000 . 1 . . . . A 22 ARG HB2 . 34790 1 125 . 1 . 1 22 22 ARG HB3 H 1 1.929 0.000 . 1 . . . . A 22 ARG HB3 . 34790 1 126 . 1 . 1 22 22 ARG HG2 H 1 1.697 0.000 . 1 . . . . A 22 ARG HG2 . 34790 1 127 . 1 . 1 22 22 ARG HG3 H 1 1.697 0.000 . 1 . . . . A 22 ARG HG3 . 34790 1 128 . 1 . 1 22 22 ARG HD2 H 1 2.897 0.000 . 1 . . . . A 22 ARG HD2 . 34790 1 129 . 1 . 1 22 22 ARG HD3 H 1 3.154 0.000 . 1 . . . . A 22 ARG HD3 . 34790 1 130 . 1 . 1 22 22 ARG HE H 1 7.031 0.000 . 1 . . . . A 22 ARG HE . 34790 1 131 . 1 . 1 23 23 LYS H H 1 8.434 0.000 . 1 . . . . A 23 LYS H . 34790 1 132 . 1 . 1 23 23 LYS HA H 1 3.889 0.000 . 1 . . . . A 23 LYS HA . 34790 1 133 . 1 . 1 23 23 LYS HB2 H 1 1.599 0.000 . 1 . . . . A 23 LYS HB2 . 34790 1 134 . 1 . 1 23 23 LYS HB3 H 1 1.762 0.000 . 1 . . . . A 23 LYS HB3 . 34790 1 135 . 1 . 1 23 23 LYS HG2 H 1 1.160 0.000 . 1 . . . . A 23 LYS HG2 . 34790 1 136 . 1 . 1 23 23 LYS HG3 H 1 1.160 0.000 . 1 . . . . A 23 LYS HG3 . 34790 1 137 . 1 . 1 23 23 LYS HD2 H 1 1.417 0.000 . 1 . . . . A 23 LYS HD2 . 34790 1 138 . 1 . 1 23 23 LYS HD3 H 1 1.417 0.000 . 1 . . . . A 23 LYS HD3 . 34790 1 139 . 1 . 1 23 23 LYS HE2 H 1 2.896 0.000 . 1 . . . . A 23 LYS HE2 . 34790 1 140 . 1 . 1 23 23 LYS HE3 H 1 2.896 0.000 . 1 . . . . A 23 LYS HE3 . 34790 1 141 . 1 . 1 24 24 LYS H H 1 7.292 0.000 . 1 . . . . A 24 LYS H . 34790 1 142 . 1 . 1 24 24 LYS HA H 1 4.569 0.000 . 1 . . . . A 24 LYS HA . 34790 1 143 . 1 . 1 24 24 LYS HB2 H 1 1.558 0.000 . 1 . . . . A 24 LYS HB2 . 34790 1 144 . 1 . 1 24 24 LYS HB3 H 1 1.689 0.000 . 1 . . . . A 24 LYS HB3 . 34790 1 145 . 1 . 1 24 24 LYS HG2 H 1 1.376 0.000 . 1 . . . . A 24 LYS HG2 . 34790 1 146 . 1 . 1 24 24 LYS HG3 H 1 1.376 0.000 . 1 . . . . A 24 LYS HG3 . 34790 1 147 . 1 . 1 24 24 LYS HD3 H 1 1.693 0.000 . 1 . . . . A 24 LYS HD3 . 34790 1 148 . 1 . 1 24 24 LYS HE2 H 1 3.009 0.000 . 1 . . . . A 24 LYS HE2 . 34790 1 149 . 1 . 1 24 24 LYS HE3 H 1 3.009 0.000 . 1 . . . . A 24 LYS HE3 . 34790 1 150 . 1 . 1 25 25 TRP H H 1 8.725 0.000 . 1 . . . . A 25 TRP H . 34790 1 151 . 1 . 1 25 25 TRP HA H 1 3.579 0.000 . 1 . . . . A 25 TRP HA . 34790 1 152 . 1 . 1 25 25 TRP HB2 H 1 3.079 0.000 . 1 . . . . A 25 TRP HB2 . 34790 1 153 . 1 . 1 25 25 TRP HB3 H 1 3.079 0.000 . 1 . . . . A 25 TRP HB3 . 34790 1 154 . 1 . 1 25 25 TRP HD1 H 1 7.099 0.000 . 1 . . . . A 25 TRP HD1 . 34790 1 155 . 1 . 1 25 25 TRP HE1 H 1 10.171 0.000 . 1 . . . . A 25 TRP HE1 . 34790 1 156 . 1 . 1 25 25 TRP HE3 H 1 7.136 0.000 . 1 . . . . A 25 TRP HE3 . 34790 1 157 . 1 . 1 25 25 TRP HZ2 H 1 7.464 0.000 . 1 . . . . A 25 TRP HZ2 . 34790 1 158 . 1 . 1 25 25 TRP HZ3 H 1 7.042 0.000 . 1 . . . . A 25 TRP HZ3 . 34790 1 159 . 1 . 1 25 25 TRP HH2 H 1 7.196 0.000 . 1 . . . . A 25 TRP HH2 . 34790 1 160 . 1 . 1 26 26 PRO HA H 1 2.826 0.000 . 1 . . . . A 26 PRO HA . 34790 1 161 . 1 . 1 26 26 PRO HB2 H 1 0.833 0.000 . 1 . . . . A 26 PRO HB2 . 34790 1 162 . 1 . 1 26 26 PRO HB3 H 1 1.253 0.000 . 1 . . . . A 26 PRO HB3 . 34790 1 163 . 1 . 1 26 26 PRO HG2 H 1 1.132 0.000 . 1 . . . . A 26 PRO HG2 . 34790 1 164 . 1 . 1 26 26 PRO HG3 H 1 1.398 0.000 . 1 . . . . A 26 PRO HG3 . 34790 1 165 . 1 . 1 26 26 PRO HD2 H 1 3.248 0.000 . 1 . . . . A 26 PRO HD2 . 34790 1 166 . 1 . 1 26 26 PRO HD3 H 1 3.011 0.000 . 1 . . . . A 26 PRO HD3 . 34790 1 167 . 1 . 1 27 27 TYR H H 1 7.684 0.000 . 1 . . . . A 27 TYR H . 34790 1 168 . 1 . 1 27 27 TYR HA H 1 4.433 0.000 . 1 . . . . A 27 TYR HA . 34790 1 169 . 1 . 1 27 27 TYR HB2 H 1 3.168 0.000 . 1 . . . . A 27 TYR HB2 . 34790 1 170 . 1 . 1 27 27 TYR HB3 H 1 3.169 0.000 . 1 . . . . A 27 TYR HB3 . 34790 1 171 . 1 . 1 27 27 TYR HD1 H 1 7.129 0.000 . 1 . . . . A 27 TYR HD1 . 34790 1 172 . 1 . 1 27 27 TYR HD2 H 1 7.129 0.000 . 1 . . . . A 27 TYR HD2 . 34790 1 173 . 1 . 1 27 27 TYR HE1 H 1 6.854 0.000 . 1 . . . . A 27 TYR HE1 . 34790 1 174 . 1 . 1 27 27 TYR HE2 H 1 6.854 0.000 . 1 . . . . A 27 TYR HE2 . 34790 1 175 . 1 . 1 28 28 HIS H H 1 7.126 0.000 . 1 . . . . A 28 HIS H . 34790 1 176 . 1 . 1 28 28 HIS HA H 1 5.467 0.000 . 1 . . . . A 28 HIS HA . 34790 1 177 . 1 . 1 28 28 HIS HB2 H 1 2.539 0.000 . 1 . . . . A 28 HIS HB2 . 34790 1 178 . 1 . 1 28 28 HIS HB3 H 1 2.877 0.000 . 1 . . . . A 28 HIS HB3 . 34790 1 179 . 1 . 1 28 28 HIS HD2 H 1 6.607 0.000 . 1 . . . . A 28 HIS HD2 . 34790 1 180 . 1 . 1 28 28 HIS HE1 H 1 8.345 0.000 . 1 . . . . A 28 HIS HE1 . 34790 1 181 . 1 . 1 29 29 CYS H H 1 8.996 0.000 . 1 . . . . A 29 CYS H . 34790 1 182 . 1 . 1 29 29 CYS HA H 1 5.056 0.000 . 1 . . . . A 29 CYS HA . 34790 1 183 . 1 . 1 29 29 CYS HB2 H 1 2.680 0.000 . 1 . . . . A 29 CYS HB2 . 34790 1 184 . 1 . 1 29 29 CYS HB3 H 1 2.899 0.000 . 1 . . . . A 29 CYS HB3 . 34790 1 185 . 1 . 1 30 30 VAL H H 1 9.650 0.000 . 1 . . . . A 30 VAL H . 34790 1 186 . 1 . 1 30 30 VAL HA H 1 4.729 0.000 . 1 . . . . A 30 VAL HA . 34790 1 187 . 1 . 1 30 30 VAL HB H 1 2.420 0.000 . 1 . . . . A 30 VAL HB . 34790 1 188 . 1 . 1 30 30 VAL HG11 H 1 0.814 0.000 . 1 . . . . A 30 VAL HG11 . 34790 1 189 . 1 . 1 30 30 VAL HG12 H 1 0.814 0.000 . 1 . . . . A 30 VAL HG12 . 34790 1 190 . 1 . 1 30 30 VAL HG13 H 1 0.814 0.000 . 1 . . . . A 30 VAL HG13 . 34790 1 191 . 1 . 1 30 30 VAL HG21 H 1 0.935 0.000 . 1 . . . . A 30 VAL HG21 . 34790 1 192 . 1 . 1 30 30 VAL HG22 H 1 0.935 0.000 . 1 . . . . A 30 VAL HG22 . 34790 1 193 . 1 . 1 30 30 VAL HG23 H 1 0.935 0.000 . 1 . . . . A 30 VAL HG23 . 34790 1 194 . 1 . 1 31 31 TRP H H 1 7.336 0.000 . 1 . . . . A 31 TRP H . 34790 1 195 . 1 . 1 31 31 TRP HA H 1 4.797 0.000 . 1 . . . . A 31 TRP HA . 34790 1 196 . 1 . 1 31 31 TRP HB2 H 1 2.343 0.000 . 1 . . . . A 31 TRP HB2 . 34790 1 197 . 1 . 1 31 31 TRP HB3 H 1 2.194 0.000 . 1 . . . . A 31 TRP HB3 . 34790 1 198 . 1 . 1 31 31 TRP HD1 H 1 6.769 0.000 . 1 . . . . A 31 TRP HD1 . 34790 1 199 . 1 . 1 31 31 TRP HE1 H 1 8.291 0.000 . 1 . . . . A 31 TRP HE1 . 34790 1 200 . 1 . 1 31 31 TRP HE3 H 1 7.618 0.000 . 1 . . . . A 31 TRP HE3 . 34790 1 201 . 1 . 1 31 31 TRP HZ2 H 1 7.042 0.000 . 1 . . . . A 31 TRP HZ2 . 34790 1 202 . 1 . 1 31 31 TRP HZ3 H 1 7.114 0.000 . 1 . . . . A 31 TRP HZ3 . 34790 1 203 . 1 . 1 31 31 TRP HH2 H 1 7.182 0.000 . 1 . . . . A 31 TRP HH2 . 34790 1 204 . 1 . 1 32 32 ASP H H 1 8.906 0.000 . 1 . . . . A 32 ASP H . 34790 1 205 . 1 . 1 32 32 ASP HA H 1 4.362 0.000 . 1 . . . . A 32 ASP HA . 34790 1 206 . 1 . 1 32 32 ASP HB2 H 1 2.879 0.000 . 1 . . . . A 32 ASP HB2 . 34790 1 207 . 1 . 1 32 32 ASP HB3 H 1 2.433 0.000 . 1 . . . . A 32 ASP HB3 . 34790 1 208 . 1 . 1 33 33 TRP H H 1 7.433 0.000 . 1 . . . . A 33 TRP H . 34790 1 209 . 1 . 1 33 33 TRP HA H 1 4.816 0.000 . 1 . . . . A 33 TRP HA . 34790 1 210 . 1 . 1 33 33 TRP HB2 H 1 3.469 0.000 . 1 . . . . A 33 TRP HB2 . 34790 1 211 . 1 . 1 33 33 TRP HB3 H 1 3.318 0.000 . 1 . . . . A 33 TRP HB3 . 34790 1 212 . 1 . 1 33 33 TRP HD1 H 1 7.229 0.000 . 1 . . . . A 33 TRP HD1 . 34790 1 213 . 1 . 1 33 33 TRP HE1 H 1 9.835 0.000 . 1 . . . . A 33 TRP HE1 . 34790 1 214 . 1 . 1 33 33 TRP HE3 H 1 7.659 0.000 . 1 . . . . A 33 TRP HE3 . 34790 1 215 . 1 . 1 33 33 TRP HZ2 H 1 6.760 0.000 . 1 . . . . A 33 TRP HZ2 . 34790 1 216 . 1 . 1 33 33 TRP HZ3 H 1 6.992 0.000 . 1 . . . . A 33 TRP HZ3 . 34790 1 217 . 1 . 1 33 33 TRP HH2 H 1 6.708 0.000 . 1 . . . . A 33 TRP HH2 . 34790 1 218 . 1 . 1 34 34 THR H H 1 7.914 0.000 . 1 . . . . A 34 THR H . 34790 1 219 . 1 . 1 34 34 THR HA H 1 4.331 0.000 . 1 . . . . A 34 THR HA . 34790 1 220 . 1 . 1 34 34 THR HB H 1 4.218 0.000 . 1 . . . . A 34 THR HB . 34790 1 221 . 1 . 1 34 34 THR HG21 H 1 0.991 0.000 . 1 . . . . A 34 THR HG21 . 34790 1 222 . 1 . 1 34 34 THR HG22 H 1 0.991 0.000 . 1 . . . . A 34 THR HG22 . 34790 1 223 . 1 . 1 34 34 THR HG23 H 1 0.991 0.000 . 1 . . . . A 34 THR HG23 . 34790 1 224 . 1 . 1 35 35 VAL H H 1 7.568 0.000 . 1 . . . . A 35 VAL H . 34790 1 225 . 1 . 1 35 35 VAL HA H 1 3.999 0.000 . 1 . . . . A 35 VAL HA . 34790 1 226 . 1 . 1 35 35 VAL HB H 1 2.059 0.000 . 1 . . . . A 35 VAL HB . 34790 1 227 . 1 . 1 35 35 VAL HG11 H 1 0.854 0.000 . 1 . . . . A 35 VAL HG11 . 34790 1 228 . 1 . 1 35 35 VAL HG12 H 1 0.854 0.000 . 1 . . . . A 35 VAL HG12 . 34790 1 229 . 1 . 1 35 35 VAL HG13 H 1 0.854 0.000 . 1 . . . . A 35 VAL HG13 . 34790 1 230 . 1 . 1 35 35 VAL HG21 H 1 0.850 0.000 . 1 . . . . A 35 VAL HG21 . 34790 1 231 . 1 . 1 35 35 VAL HG22 H 1 0.850 0.000 . 1 . . . . A 35 VAL HG22 . 34790 1 232 . 1 . 1 35 35 VAL HG23 H 1 0.850 0.000 . 1 . . . . A 35 VAL HG23 . 34790 1 stop_ save_