################################### # 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 34792 _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' . . . 34792 1 2 '2D 1H-1H NOESY' . . . 34792 1 3 '2D 1H-1H COSY' . . . 34792 1 4 '2D 1H-15N HSQC' . . . 34792 1 5 '2D 1H-13C HSQC' . . . 34792 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 4.166 0.000 . 1 . . . . D 1 ALA HA . 34792 1 2 . 1 . 1 1 1 ALA HB1 H 1 1.570 0.000 . 1 . . . . D 1 ALA HB1 . 34792 1 3 . 1 . 1 1 1 ALA HB2 H 1 1.570 0.000 . 1 . . . . D 1 ALA HB2 . 34792 1 4 . 1 . 1 1 1 ALA HB3 H 1 1.570 0.000 . 1 . . . . D 1 ALA HB3 . 34792 1 5 . 1 . 1 2 2 CYS H H 1 8.604 0.000 . 1 . . . . D 2 CYS H . 34792 1 6 . 1 . 1 2 2 CYS HA H 1 4.673 0.000 . 1 . . . . D 2 CYS HA . 34792 1 7 . 1 . 1 2 2 CYS HB2 H 1 3.137 0.000 . 1 . . . . D 2 CYS HB2 . 34792 1 8 . 1 . 1 2 2 CYS HB3 H 1 2.812 0.000 . 1 . . . . D 2 CYS HB3 . 34792 1 9 . 1 . 1 2 2 CYS N N 15 117.520 0.000 . 1 . . . . D 2 CYS N . 34792 1 10 . 1 . 1 3 3 ARG H H 1 9.209 0.000 . 1 . . . . D 3 ARG H . 34792 1 11 . 1 . 1 3 3 ARG HA H 1 4.444 0.000 . 1 . . . . D 3 ARG HA . 34792 1 12 . 1 . 1 3 3 ARG HB2 H 1 1.656 0.000 . 1 . . . . D 3 ARG HB2 . 34792 1 13 . 1 . 1 3 3 ARG HB3 H 1 1.958 0.000 . 1 . . . . D 3 ARG HB3 . 34792 1 14 . 1 . 1 3 3 ARG HG2 H 1 1.772 0.000 . 1 . . . . D 3 ARG HG2 . 34792 1 15 . 1 . 1 3 3 ARG HG3 H 1 2.044 0.000 . 1 . . . . D 3 ARG HG3 . 34792 1 16 . 1 . 1 3 3 ARG HD2 H 1 3.254 0.000 . 1 . . . . D 3 ARG HD2 . 34792 1 17 . 1 . 1 3 3 ARG HD3 H 1 3.254 0.000 . 1 . . . . D 3 ARG HD3 . 34792 1 18 . 1 . 1 3 3 ARG HE H 1 7.250 0.000 . 1 . . . . D 3 ARG HE . 34792 1 19 . 1 . 1 3 3 ARG N N 15 121.671 0.000 . 1 . . . . D 3 ARG N . 34792 1 20 . 1 . 1 4 4 GLU H H 1 8.327 0.000 . 1 . . . . D 4 GLU H . 34792 1 21 . 1 . 1 4 4 GLU HA H 1 4.061 0.000 . 1 . . . . D 4 GLU HA . 34792 1 22 . 1 . 1 4 4 GLU HB2 H 1 2.310 0.000 . 1 . . . . D 4 GLU HB2 . 34792 1 23 . 1 . 1 4 4 GLU HB3 H 1 1.883 0.000 . 1 . . . . D 4 GLU HB3 . 34792 1 24 . 1 . 1 4 4 GLU HG2 H 1 2.440 0.000 . 1 . . . . D 4 GLU HG2 . 34792 1 25 . 1 . 1 4 4 GLU HG3 H 1 2.440 0.000 . 1 . . . . D 4 GLU HG3 . 34792 1 26 . 1 . 1 4 4 GLU N N 15 121.544 0.000 . 1 . . . . D 4 GLU N . 34792 1 27 . 1 . 1 5 5 TRP H H 1 8.116 0.000 . 1 . . . . D 5 TRP H . 34792 1 28 . 1 . 1 5 5 TRP HA H 1 3.523 0.000 . 1 . . . . D 5 TRP HA . 34792 1 29 . 1 . 1 5 5 TRP HB2 H 1 3.037 0.000 . 1 . . . . D 5 TRP HB2 . 34792 1 30 . 1 . 1 5 5 TRP HB3 H 1 2.558 0.000 . 1 . . . . D 5 TRP HB3 . 34792 1 31 . 1 . 1 5 5 TRP HD1 H 1 6.357 0.000 . 1 . . . . D 5 TRP HD1 . 34792 1 32 . 1 . 1 5 5 TRP HE1 H 1 10.328 0.000 . 1 . . . . D 5 TRP HE1 . 34792 1 33 . 1 . 1 5 5 TRP HE3 H 1 7.507 0.000 . 1 . . . . D 5 TRP HE3 . 34792 1 34 . 1 . 1 5 5 TRP HZ2 H 1 7.562 0.000 . 1 . . . . D 5 TRP HZ2 . 34792 1 35 . 1 . 1 5 5 TRP HZ3 H 1 7.168 0.000 . 1 . . . . D 5 TRP HZ3 . 34792 1 36 . 1 . 1 5 5 TRP HH2 H 1 7.289 0.000 . 1 . . . . D 5 TRP HH2 . 34792 1 37 . 1 . 1 5 5 TRP N N 15 119.923 0.000 . 1 . . . . D 5 TRP N . 34792 1 38 . 1 . 1 6 6 LEU H H 1 8.450 0.000 . 1 . . . . D 6 LEU H . 34792 1 39 . 1 . 1 6 6 LEU HA H 1 2.974 0.000 . 1 . . . . D 6 LEU HA . 34792 1 40 . 1 . 1 6 6 LEU HB2 H 1 1.459 0.000 . 1 . . . . D 6 LEU HB2 . 34792 1 41 . 1 . 1 6 6 LEU HB3 H 1 0.889 0.000 . 1 . . . . D 6 LEU HB3 . 34792 1 42 . 1 . 1 6 6 LEU HG H 1 -0.148 0.000 . 1 . . . . D 6 LEU HG . 34792 1 43 . 1 . 1 6 6 LEU HD11 H 1 -0.519 0.000 . 1 . . . . D 6 LEU HD11 . 34792 1 44 . 1 . 1 6 6 LEU HD12 H 1 -0.519 0.000 . 1 . . . . D 6 LEU HD12 . 34792 1 45 . 1 . 1 6 6 LEU HD13 H 1 -0.519 0.000 . 1 . . . . D 6 LEU HD13 . 34792 1 46 . 1 . 1 6 6 LEU HD21 H 1 -0.150 0.000 . 1 . . . . D 6 LEU HD21 . 34792 1 47 . 1 . 1 6 6 LEU HD22 H 1 -0.150 0.000 . 1 . . . . D 6 LEU HD22 . 34792 1 48 . 1 . 1 6 6 LEU HD23 H 1 -0.150 0.000 . 1 . . . . D 6 LEU HD23 . 34792 1 49 . 1 . 1 6 6 LEU N N 15 121.814 0.000 . 1 . . . . D 6 LEU N . 34792 1 50 . 1 . 1 7 7 GLY H H 1 8.993 0.000 . 1 . . . . D 7 GLY H . 34792 1 51 . 1 . 1 7 7 GLY HA2 H 1 3.407 0.000 . 1 . . . . D 7 GLY HA2 . 34792 1 52 . 1 . 1 7 7 GLY HA3 H 1 4.009 0.000 . 1 . . . . D 7 GLY HA3 . 34792 1 53 . 1 . 1 7 7 GLY N N 15 110.057 0.000 . 1 . . . . D 7 GLY N . 34792 1 54 . 1 . 1 8 8 GLY H H 1 8.564 0.000 . 1 . . . . D 8 GLY H . 34792 1 55 . 1 . 1 8 8 GLY HA2 H 1 3.736 0.000 . 1 . . . . D 8 GLY HA2 . 34792 1 56 . 1 . 1 8 8 GLY HA3 H 1 4.214 0.000 . 1 . . . . D 8 GLY HA3 . 34792 1 57 . 1 . 1 8 8 GLY N N 15 109.367 0.000 . 1 . . . . D 8 GLY N . 34792 1 58 . 1 . 1 9 9 CYS H H 1 7.541 0.000 . 1 . . . . D 9 CYS H . 34792 1 59 . 1 . 1 9 9 CYS HA H 1 4.932 0.000 . 1 . . . . D 9 CYS HA . 34792 1 60 . 1 . 1 9 9 CYS HB2 H 1 3.214 0.000 . 1 . . . . D 9 CYS HB2 . 34792 1 61 . 1 . 1 9 9 CYS HB3 H 1 3.214 0.000 . 1 . . . . D 9 CYS HB3 . 34792 1 62 . 1 . 1 9 9 CYS N N 15 114.619 0.000 . 1 . . . . D 9 CYS N . 34792 1 63 . 1 . 1 10 10 SER H H 1 9.614 0.000 . 1 . . . . D 10 SER H . 34792 1 64 . 1 . 1 10 10 SER HA H 1 4.610 0.000 . 1 . . . . D 10 SER HA . 34792 1 65 . 1 . 1 10 10 SER HB2 H 1 3.856 0.000 . 1 . . . . D 10 SER HB2 . 34792 1 66 . 1 . 1 10 10 SER HB3 H 1 3.812 0.000 . 1 . . . . D 10 SER HB3 . 34792 1 67 . 1 . 1 10 10 SER N N 15 112.703 0.000 . 1 . . . . D 10 SER N . 34792 1 68 . 1 . 1 11 11 LYS H H 1 7.982 0.000 . 1 . . . . D 11 LYS H . 34792 1 69 . 1 . 1 11 11 LYS HA H 1 4.647 0.000 . 1 . . . . D 11 LYS HA . 34792 1 70 . 1 . 1 11 11 LYS HB2 H 1 1.981 0.000 . 1 . . . . D 11 LYS HB2 . 34792 1 71 . 1 . 1 11 11 LYS HB3 H 1 1.859 0.000 . 1 . . . . D 11 LYS HB3 . 34792 1 72 . 1 . 1 11 11 LYS HG2 H 1 1.037 0.000 . 1 . . . . D 11 LYS HG2 . 34792 1 73 . 1 . 1 11 11 LYS HG3 H 1 1.451 0.000 . 1 . . . . D 11 LYS HG3 . 34792 1 74 . 1 . 1 11 11 LYS HD2 H 1 1.681 0.000 . 1 . . . . D 11 LYS HD2 . 34792 1 75 . 1 . 1 11 11 LYS HD3 H 1 1.588 0.000 . 1 . . . . D 11 LYS HD3 . 34792 1 76 . 1 . 1 11 11 LYS HE2 H 1 2.850 0.000 . 1 . . . . D 11 LYS HE2 . 34792 1 77 . 1 . 1 11 11 LYS HE3 H 1 2.974 0.000 . 1 . . . . D 11 LYS HE3 . 34792 1 78 . 1 . 1 11 11 LYS N N 15 119.320 0.000 . 1 . . . . D 11 LYS N . 34792 1 79 . 1 . 1 12 12 ASP H H 1 8.992 0.000 . 1 . . . . D 12 ASP H . 34792 1 80 . 1 . 1 12 12 ASP HA H 1 4.110 0.000 . 1 . . . . D 12 ASP HA . 34792 1 81 . 1 . 1 12 12 ASP HB2 H 1 2.623 0.000 . 1 . . . . D 12 ASP HB2 . 34792 1 82 . 1 . 1 12 12 ASP HB3 H 1 2.890 0.000 . 1 . . . . D 12 ASP HB3 . 34792 1 83 . 1 . 1 12 12 ASP N N 15 124.075 0.000 . 1 . . . . D 12 ASP N . 34792 1 84 . 1 . 1 13 13 ALA H H 1 8.290 0.000 . 1 . . . . D 13 ALA H . 34792 1 85 . 1 . 1 13 13 ALA HA H 1 4.222 0.000 . 1 . . . . D 13 ALA HA . 34792 1 86 . 1 . 1 13 13 ALA HB1 H 1 1.375 0.000 . 1 . . . . D 13 ALA HB1 . 34792 1 87 . 1 . 1 13 13 ALA HB2 H 1 1.375 0.000 . 1 . . . . D 13 ALA HB2 . 34792 1 88 . 1 . 1 13 13 ALA HB3 H 1 1.375 0.000 . 1 . . . . D 13 ALA HB3 . 34792 1 89 . 1 . 1 13 13 ALA N N 15 117.552 0.000 . 1 . . . . D 13 ALA N . 34792 1 90 . 1 . 1 14 14 ASP H H 1 8.035 0.000 . 1 . . . . D 14 ASP H . 34792 1 91 . 1 . 1 14 14 ASP HA H 1 5.053 0.000 . 1 . . . . D 14 ASP HA . 34792 1 92 . 1 . 1 14 14 ASP HB2 H 1 3.181 0.000 . 1 . . . . D 14 ASP HB2 . 34792 1 93 . 1 . 1 14 14 ASP HB3 H 1 2.813 0.000 . 1 . . . . D 14 ASP HB3 . 34792 1 94 . 1 . 1 14 14 ASP N N 15 118.013 0.000 . 1 . . . . D 14 ASP N . 34792 1 95 . 1 . 1 15 15 CYS H H 1 7.679 0.000 . 1 . . . . D 15 CYS H . 34792 1 96 . 1 . 1 15 15 CYS HA H 1 4.447 0.000 . 1 . . . . D 15 CYS HA . 34792 1 97 . 1 . 1 15 15 CYS HB2 H 1 2.826 0.000 . 1 . . . . D 15 CYS HB2 . 34792 1 98 . 1 . 1 15 15 CYS HB3 H 1 3.004 0.000 . 1 . . . . D 15 CYS HB3 . 34792 1 99 . 1 . 1 15 15 CYS N N 15 116.151 0.000 . 1 . . . . D 15 CYS N . 34792 1 100 . 1 . 1 16 16 CYS H H 1 9.013 0.000 . 1 . . . . D 16 CYS H . 34792 1 101 . 1 . 1 16 16 CYS HA H 1 4.637 0.000 . 1 . . . . D 16 CYS HA . 34792 1 102 . 1 . 1 16 16 CYS HB2 H 1 3.524 0.000 . 1 . . . . D 16 CYS HB2 . 34792 1 103 . 1 . 1 16 16 CYS HB3 H 1 2.549 0.000 . 1 . . . . D 16 CYS HB3 . 34792 1 104 . 1 . 1 16 16 CYS N N 15 119.226 0.000 . 1 . . . . D 16 CYS N . 34792 1 105 . 1 . 1 17 17 ALA H H 1 7.812 0.000 . 1 . . . . D 17 ALA H . 34792 1 106 . 1 . 1 17 17 ALA HA H 1 4.018 0.000 . 1 . . . . D 17 ALA HA . 34792 1 107 . 1 . 1 17 17 ALA HB1 H 1 1.159 0.000 . 1 . . . . D 17 ALA HB1 . 34792 1 108 . 1 . 1 17 17 ALA HB2 H 1 1.159 0.000 . 1 . . . . D 17 ALA HB2 . 34792 1 109 . 1 . 1 17 17 ALA HB3 H 1 1.159 0.000 . 1 . . . . D 17 ALA HB3 . 34792 1 110 . 1 . 1 17 17 ALA N N 15 118.864 0.000 . 1 . . . . D 17 ALA N . 34792 1 111 . 1 . 1 18 18 HIS H H 1 8.596 0.000 . 1 . . . . D 18 HIS H . 34792 1 112 . 1 . 1 18 18 HIS HA H 1 4.321 0.000 . 1 . . . . D 18 HIS HA . 34792 1 113 . 1 . 1 18 18 HIS HB2 H 1 3.604 0.000 . 1 . . . . D 18 HIS HB2 . 34792 1 114 . 1 . 1 18 18 HIS HB3 H 1 3.949 0.000 . 1 . . . . D 18 HIS HB3 . 34792 1 115 . 1 . 1 18 18 HIS HD2 H 1 7.253 0.000 . 1 . . . . D 18 HIS HD2 . 34792 1 116 . 1 . 1 18 18 HIS HE1 H 1 8.658 0.000 . 1 . . . . D 18 HIS HE1 . 34792 1 117 . 1 . 1 18 18 HIS N N 15 109.754 0.000 . 1 . . . . D 18 HIS N . 34792 1 118 . 1 . 1 19 19 LEU H H 1 7.720 0.000 . 1 . . . . D 19 LEU H . 34792 1 119 . 1 . 1 19 19 LEU HA H 1 5.136 0.000 . 1 . . . . D 19 LEU HA . 34792 1 120 . 1 . 1 19 19 LEU HB2 H 1 2.233 0.000 . 1 . . . . D 19 LEU HB2 . 34792 1 121 . 1 . 1 19 19 LEU HB3 H 1 0.991 0.000 . 1 . . . . D 19 LEU HB3 . 34792 1 122 . 1 . 1 19 19 LEU HG H 1 1.296 0.000 . 1 . . . . D 19 LEU HG . 34792 1 123 . 1 . 1 19 19 LEU HD11 H 1 0.616 0.000 . 1 . . . . D 19 LEU HD11 . 34792 1 124 . 1 . 1 19 19 LEU HD12 H 1 0.616 0.000 . 1 . . . . D 19 LEU HD12 . 34792 1 125 . 1 . 1 19 19 LEU HD13 H 1 0.616 0.000 . 1 . . . . D 19 LEU HD13 . 34792 1 126 . 1 . 1 19 19 LEU HD21 H 1 -0.275 0.000 . 1 . . . . D 19 LEU HD21 . 34792 1 127 . 1 . 1 19 19 LEU HD22 H 1 -0.275 0.000 . 1 . . . . D 19 LEU HD22 . 34792 1 128 . 1 . 1 19 19 LEU HD23 H 1 -0.275 0.000 . 1 . . . . D 19 LEU HD23 . 34792 1 129 . 1 . 1 19 19 LEU N N 15 118.164 0.000 . 1 . . . . D 19 LEU N . 34792 1 130 . 1 . 1 20 20 ALA H H 1 9.345 0.000 . 1 . . . . D 20 ALA H . 34792 1 131 . 1 . 1 20 20 ALA HA H 1 4.387 0.000 . 1 . . . . D 20 ALA HA . 34792 1 132 . 1 . 1 20 20 ALA HB1 H 1 1.226 0.000 . 1 . . . . D 20 ALA HB1 . 34792 1 133 . 1 . 1 20 20 ALA HB2 H 1 1.226 0.000 . 1 . . . . D 20 ALA HB2 . 34792 1 134 . 1 . 1 20 20 ALA HB3 H 1 1.226 0.000 . 1 . . . . D 20 ALA HB3 . 34792 1 135 . 1 . 1 20 20 ALA N N 15 122.545 0.000 . 1 . . . . D 20 ALA N . 34792 1 136 . 1 . 1 21 21 CYS H H 1 9.439 0.000 . 1 . . . . D 21 CYS H . 34792 1 137 . 1 . 1 21 21 CYS HA H 1 4.662 0.000 . 1 . . . . D 21 CYS HA . 34792 1 138 . 1 . 1 21 21 CYS HB2 H 1 2.543 0.000 . 1 . . . . D 21 CYS HB2 . 34792 1 139 . 1 . 1 21 21 CYS HB3 H 1 2.648 0.000 . 1 . . . . D 21 CYS HB3 . 34792 1 140 . 1 . 1 21 21 CYS N N 15 120.931 0.000 . 1 . . . . D 21 CYS N . 34792 1 141 . 1 . 1 22 22 ARG H H 1 8.007 0.000 . 1 . . . . D 22 ARG H . 34792 1 142 . 1 . 1 22 22 ARG HA H 1 3.999 0.000 . 1 . . . . D 22 ARG HA . 34792 1 143 . 1 . 1 22 22 ARG HB2 H 1 1.781 0.000 . 1 . . . . D 22 ARG HB2 . 34792 1 144 . 1 . 1 22 22 ARG HB3 H 1 1.965 0.000 . 1 . . . . D 22 ARG HB3 . 34792 1 145 . 1 . 1 22 22 ARG HG2 H 1 1.672 0.000 . 1 . . . . D 22 ARG HG2 . 34792 1 146 . 1 . 1 22 22 ARG HG3 H 1 1.671 0.000 . 1 . . . . D 22 ARG HG3 . 34792 1 147 . 1 . 1 22 22 ARG HD2 H 1 3.128 0.000 . 1 . . . . D 22 ARG HD2 . 34792 1 148 . 1 . 1 22 22 ARG HD3 H 1 3.128 0.000 . 1 . . . . D 22 ARG HD3 . 34792 1 149 . 1 . 1 22 22 ARG HE H 1 6.985 0.000 . 1 . . . . D 22 ARG HE . 34792 1 150 . 1 . 1 22 22 ARG N N 15 130.186 0.000 . 1 . . . . D 22 ARG N . 34792 1 151 . 1 . 1 23 23 LYS H H 1 8.439 0.000 . 1 . . . . D 23 LYS H . 34792 1 152 . 1 . 1 23 23 LYS HA H 1 3.971 0.000 . 1 . . . . D 23 LYS HA . 34792 1 153 . 1 . 1 23 23 LYS HB2 H 1 1.840 0.000 . 1 . . . . D 23 LYS HB2 . 34792 1 154 . 1 . 1 23 23 LYS HB3 H 1 1.621 0.000 . 1 . . . . D 23 LYS HB3 . 34792 1 155 . 1 . 1 23 23 LYS HG2 H 1 1.227 0.000 . 1 . . . . D 23 LYS HG2 . 34792 1 156 . 1 . 1 23 23 LYS HG3 H 1 1.227 0.000 . 1 . . . . D 23 LYS HG3 . 34792 1 157 . 1 . 1 23 23 LYS HD2 H 1 1.516 0.000 . 1 . . . . D 23 LYS HD2 . 34792 1 158 . 1 . 1 23 23 LYS HD3 H 1 1.465 0.000 . 1 . . . . D 23 LYS HD3 . 34792 1 159 . 1 . 1 23 23 LYS HE2 H 1 2.934 0.000 . 1 . . . . D 23 LYS HE2 . 34792 1 160 . 1 . 1 23 23 LYS HE3 H 1 2.934 0.000 . 1 . . . . D 23 LYS HE3 . 34792 1 161 . 1 . 1 23 23 LYS N N 15 122.291 0.000 . 1 . . . . D 23 LYS N . 34792 1 162 . 1 . 1 24 24 LYS H H 1 7.242 0.000 . 1 . . . . D 24 LYS H . 34792 1 163 . 1 . 1 24 24 LYS HA H 1 4.551 0.000 . 1 . . . . D 24 LYS HA . 34792 1 164 . 1 . 1 24 24 LYS HB2 H 1 1.549 0.000 . 1 . . . . D 24 LYS HB2 . 34792 1 165 . 1 . 1 24 24 LYS HB3 H 1 1.687 0.000 . 1 . . . . D 24 LYS HB3 . 34792 1 166 . 1 . 1 24 24 LYS HG2 H 1 1.370 0.000 . 1 . . . . D 24 LYS HG2 . 34792 1 167 . 1 . 1 24 24 LYS HG3 H 1 1.370 0.000 . 1 . . . . D 24 LYS HG3 . 34792 1 168 . 1 . 1 24 24 LYS HD2 H 1 1.679 0.000 . 1 . . . . D 24 LYS HD2 . 34792 1 169 . 1 . 1 24 24 LYS HD3 H 1 1.679 0.000 . 1 . . . . D 24 LYS HD3 . 34792 1 170 . 1 . 1 24 24 LYS HE2 H 1 3.004 0.000 . 1 . . . . D 24 LYS HE2 . 34792 1 171 . 1 . 1 24 24 LYS HE3 H 1 2.989 0.000 . 1 . . . . D 24 LYS HE3 . 34792 1 172 . 1 . 1 24 24 LYS N N 15 120.155 0.000 . 1 . . . . D 24 LYS N . 34792 1 173 . 1 . 1 25 25 TRP H H 1 8.603 0.000 . 1 . . . . D 25 TRP H . 34792 1 174 . 1 . 1 25 25 TRP HA H 1 3.440 0.000 . 1 . . . . D 25 TRP HA . 34792 1 175 . 1 . 1 25 25 TRP HB2 H 1 3.049 0.000 . 1 . . . . D 25 TRP HB2 . 34792 1 176 . 1 . 1 25 25 TRP HB3 H 1 3.049 0.000 . 1 . . . . D 25 TRP HB3 . 34792 1 177 . 1 . 1 25 25 TRP HD1 H 1 7.114 0.000 . 1 . . . . D 25 TRP HD1 . 34792 1 178 . 1 . 1 25 25 TRP HE1 H 1 10.174 0.000 . 1 . . . . D 25 TRP HE1 . 34792 1 179 . 1 . 1 25 25 TRP HE3 H 1 7.157 0.000 . 1 . . . . D 25 TRP HE3 . 34792 1 180 . 1 . 1 25 25 TRP HZ2 H 1 7.464 0.000 . 1 . . . . D 25 TRP HZ2 . 34792 1 181 . 1 . 1 25 25 TRP HZ3 H 1 7.060 0.000 . 1 . . . . D 25 TRP HZ3 . 34792 1 182 . 1 . 1 25 25 TRP HH2 H 1 7.200 0.000 . 1 . . . . D 25 TRP HH2 . 34792 1 183 . 1 . 1 25 25 TRP N N 15 124.945 0.000 . 1 . . . . D 25 TRP N . 34792 1 184 . 1 . 1 26 26 PRO HA H 1 2.790 0.000 . 1 . . . . D 26 PRO HA . 34792 1 185 . 1 . 1 26 26 PRO HB2 H 1 0.785 0.000 . 1 . . . . D 26 PRO HB2 . 34792 1 186 . 1 . 1 26 26 PRO HB3 H 1 1.220 0.000 . 1 . . . . D 26 PRO HB3 . 34792 1 187 . 1 . 1 26 26 PRO HG2 H 1 1.104 0.000 . 1 . . . . D 26 PRO HG2 . 34792 1 188 . 1 . 1 26 26 PRO HG3 H 1 1.362 0.000 . 1 . . . . D 26 PRO HG3 . 34792 1 189 . 1 . 1 26 26 PRO HD2 H 1 3.210 0.000 . 1 . . . . D 26 PRO HD2 . 34792 1 190 . 1 . 1 26 26 PRO HD3 H 1 2.965 0.000 . 1 . . . . D 26 PRO HD3 . 34792 1 191 . 1 . 1 27 27 TYR H H 1 7.668 0.000 . 1 . . . . D 27 TYR H . 34792 1 192 . 1 . 1 27 27 TYR HA H 1 4.364 0.000 . 1 . . . . D 27 TYR HA . 34792 1 193 . 1 . 1 27 27 TYR HB2 H 1 3.133 0.000 . 1 . . . . D 27 TYR HB2 . 34792 1 194 . 1 . 1 27 27 TYR HB3 H 1 3.197 0.000 . 1 . . . . D 27 TYR HB3 . 34792 1 195 . 1 . 1 27 27 TYR HD1 H 1 7.139 0.000 . 1 . . . . D 27 TYR HD1 . 34792 1 196 . 1 . 1 27 27 TYR HD2 H 1 7.139 0.000 . 1 . . . . D 27 TYR HD2 . 34792 1 197 . 1 . 1 27 27 TYR HE1 H 1 6.845 0.000 . 1 . . . . D 27 TYR HE1 . 34792 1 198 . 1 . 1 27 27 TYR HE2 H 1 6.845 0.000 . 1 . . . . D 27 TYR HE2 . 34792 1 199 . 1 . 1 27 27 TYR N N 15 123.641 0.000 . 1 . . . . D 27 TYR N . 34792 1 200 . 1 . 1 28 28 HIS H H 1 6.998 0.000 . 1 . . . . D 28 HIS H . 34792 1 201 . 1 . 1 28 28 HIS HA H 1 5.448 0.000 . 1 . . . . D 28 HIS HA . 34792 1 202 . 1 . 1 28 28 HIS HB2 H 1 2.518 0.000 . 1 . . . . D 28 HIS HB2 . 34792 1 203 . 1 . 1 28 28 HIS HB3 H 1 2.820 0.000 . 1 . . . . D 28 HIS HB3 . 34792 1 204 . 1 . 1 28 28 HIS HD2 H 1 6.545 0.000 . 1 . . . . D 28 HIS HD2 . 34792 1 205 . 1 . 1 28 28 HIS HE1 H 1 8.136 0.000 . 1 . . . . D 28 HIS HE1 . 34792 1 206 . 1 . 1 28 28 HIS N N 15 117.754 0.000 . 1 . . . . D 28 HIS N . 34792 1 207 . 1 . 1 29 29 CYS H H 1 9.006 0.000 . 1 . . . . D 29 CYS H . 34792 1 208 . 1 . 1 29 29 CYS HA H 1 5.052 0.000 . 1 . . . . D 29 CYS HA . 34792 1 209 . 1 . 1 29 29 CYS HB2 H 1 2.672 0.000 . 1 . . . . D 29 CYS HB2 . 34792 1 210 . 1 . 1 29 29 CYS HB3 H 1 2.910 0.000 . 1 . . . . D 29 CYS HB3 . 34792 1 211 . 1 . 1 29 29 CYS N N 15 120.524 0.000 . 1 . . . . D 29 CYS N . 34792 1 212 . 1 . 1 30 30 VAL H H 1 9.685 0.000 . 1 . . . . D 30 VAL H . 34792 1 213 . 1 . 1 30 30 VAL HA H 1 4.676 0.000 . 1 . . . . D 30 VAL HA . 34792 1 214 . 1 . 1 30 30 VAL HB H 1 2.330 0.000 . 1 . . . . D 30 VAL HB . 34792 1 215 . 1 . 1 30 30 VAL HG11 H 1 0.914 0.000 . 1 . . . . D 30 VAL HG11 . 34792 1 216 . 1 . 1 30 30 VAL HG12 H 1 0.914 0.000 . 1 . . . . D 30 VAL HG12 . 34792 1 217 . 1 . 1 30 30 VAL HG13 H 1 0.914 0.000 . 1 . . . . D 30 VAL HG13 . 34792 1 218 . 1 . 1 30 30 VAL HG21 H 1 0.734 0.000 . 1 . . . . D 30 VAL HG21 . 34792 1 219 . 1 . 1 30 30 VAL HG22 H 1 0.734 0.000 . 1 . . . . D 30 VAL HG22 . 34792 1 220 . 1 . 1 30 30 VAL HG23 H 1 0.734 0.000 . 1 . . . . D 30 VAL HG23 . 34792 1 221 . 1 . 1 30 30 VAL N N 15 118.082 0.000 . 1 . . . . D 30 VAL N . 34792 1 222 . 1 . 1 31 31 TRP H H 1 7.399 0.000 . 1 . . . . D 31 TRP H . 34792 1 223 . 1 . 1 31 31 TRP HA H 1 4.701 0.000 . 1 . . . . D 31 TRP HA . 34792 1 224 . 1 . 1 31 31 TRP HB2 H 1 1.971 0.000 . 1 . . . . D 31 TRP HB2 . 34792 1 225 . 1 . 1 31 31 TRP HB3 H 1 2.232 0.000 . 1 . . . . D 31 TRP HB3 . 34792 1 226 . 1 . 1 31 31 TRP HD1 H 1 6.840 0.000 . 1 . . . . D 31 TRP HD1 . 34792 1 227 . 1 . 1 31 31 TRP HE1 H 1 8.334 0.000 . 1 . . . . D 31 TRP HE1 . 34792 1 228 . 1 . 1 31 31 TRP HE3 H 1 7.608 0.000 . 1 . . . . D 31 TRP HE3 . 34792 1 229 . 1 . 1 31 31 TRP HZ2 H 1 6.970 0.000 . 1 . . . . D 31 TRP HZ2 . 34792 1 230 . 1 . 1 31 31 TRP HZ3 H 1 7.103 0.000 . 1 . . . . D 31 TRP HZ3 . 34792 1 231 . 1 . 1 31 31 TRP HH2 H 1 7.160 0.000 . 1 . . . . D 31 TRP HH2 . 34792 1 232 . 1 . 1 31 31 TRP N N 15 121.235 0.000 . 1 . . . . D 31 TRP N . 34792 1 233 . 1 . 1 32 32 ASP H H 1 9.104 0.000 . 1 . . . . D 32 ASP H . 34792 1 234 . 1 . 1 32 32 ASP HA H 1 4.178 0.000 . 1 . . . . D 32 ASP HA . 34792 1 235 . 1 . 1 32 32 ASP HB2 H 1 2.802 0.000 . 1 . . . . D 32 ASP HB2 . 34792 1 236 . 1 . 1 32 32 ASP HB3 H 1 2.353 0.000 . 1 . . . . D 32 ASP HB3 . 34792 1 237 . 1 . 1 32 32 ASP N N 15 124.111 0.000 . 1 . . . . D 32 ASP N . 34792 1 238 . 1 . 1 33 33 TRP H H 1 7.620 0.000 . 1 . . . . D 33 TRP H . 34792 1 239 . 1 . 1 33 33 TRP HA H 1 4.890 0.000 . 1 . . . . D 33 TRP HA . 34792 1 240 . 1 . 1 33 33 TRP HB2 H 1 3.381 0.000 . 1 . . . . D 33 TRP HB2 . 34792 1 241 . 1 . 1 33 33 TRP HB3 H 1 3.479 0.000 . 1 . . . . D 33 TRP HB3 . 34792 1 242 . 1 . 1 33 33 TRP HD1 H 1 7.223 0.000 . 1 . . . . D 33 TRP HD1 . 34792 1 243 . 1 . 1 33 33 TRP HE1 H 1 9.984 0.000 . 1 . . . . D 33 TRP HE1 . 34792 1 244 . 1 . 1 33 33 TRP HE3 H 1 7.771 0.000 . 1 . . . . D 33 TRP HE3 . 34792 1 245 . 1 . 1 33 33 TRP HZ2 H 1 6.837 0.000 . 1 . . . . D 33 TRP HZ2 . 34792 1 246 . 1 . 1 33 33 TRP HZ3 H 1 7.000 0.000 . 1 . . . . D 33 TRP HZ3 . 34792 1 247 . 1 . 1 33 33 TRP HH2 H 1 6.630 0.000 . 1 . . . . D 33 TRP HH2 . 34792 1 248 . 1 . 1 33 33 TRP N N 15 118.294 0.000 . 1 . . . . D 33 TRP N . 34792 1 249 . 1 . 1 34 34 THR H H 1 8.072 0.000 . 1 . . . . D 34 THR H . 34792 1 250 . 1 . 1 34 34 THR HA H 1 4.473 0.000 . 1 . . . . D 34 THR HA . 34792 1 251 . 1 . 1 34 34 THR HB H 1 4.302 0.000 . 1 . . . . D 34 THR HB . 34792 1 252 . 1 . 1 34 34 THR HG21 H 1 0.951 0.000 . 1 . . . . D 34 THR HG21 . 34792 1 253 . 1 . 1 34 34 THR HG22 H 1 0.951 0.000 . 1 . . . . D 34 THR HG22 . 34792 1 254 . 1 . 1 34 34 THR HG23 H 1 0.951 0.000 . 1 . . . . D 34 THR HG23 . 34792 1 255 . 1 . 1 34 34 THR N N 15 113.636 0.000 . 1 . . . . D 34 THR N . 34792 1 256 . 1 . 1 35 35 VAL H H 1 7.213 0.000 . 1 . . . . D 35 VAL H . 34792 1 257 . 1 . 1 35 35 VAL HA H 1 4.024 0.000 . 1 . . . . D 35 VAL HA . 34792 1 258 . 1 . 1 35 35 VAL HB H 1 2.065 0.000 . 1 . . . . D 35 VAL HB . 34792 1 259 . 1 . 1 35 35 VAL HG11 H 1 0.834 0.000 . 1 . . . . D 35 VAL HG11 . 34792 1 260 . 1 . 1 35 35 VAL HG12 H 1 0.834 0.000 . 1 . . . . D 35 VAL HG12 . 34792 1 261 . 1 . 1 35 35 VAL HG13 H 1 0.834 0.000 . 1 . . . . D 35 VAL HG13 . 34792 1 262 . 1 . 1 35 35 VAL HG21 H 1 0.834 0.000 . 1 . . . . D 35 VAL HG21 . 34792 1 263 . 1 . 1 35 35 VAL HG22 H 1 0.834 0.000 . 1 . . . . D 35 VAL HG22 . 34792 1 264 . 1 . 1 35 35 VAL HG23 H 1 0.834 0.000 . 1 . . . . D 35 VAL HG23 . 34792 1 265 . 1 . 1 35 35 VAL N N 15 124.423 0.000 . 1 . . . . D 35 VAL N . 34792 1 stop_ save_