################################### # 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 34478 _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-15N HSQC' . . . 34478 1 2 '2D 1H-13C HSQC' . . . 34478 1 3 '2D DQF-COSY' . . . 34478 1 4 '2D 1H-1H TOCSY' . . . 34478 1 5 '2D 1H-1H NOESY' . . . 34478 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 GLY H H 1 7.00 0.02 . 1 . . . . A 1 GLY H . 34478 1 2 . 1 . 1 1 1 GLY HA2 H 1 4.15 0.02 . 2 . . . . A 1 GLY HA2 . 34478 1 3 . 1 . 1 1 1 GLY HA3 H 1 3.71 0.02 . 2 . . . . A 1 GLY HA3 . 34478 1 4 . 1 . 1 1 1 GLY CA C 13 41.1 0.3 . 1 . . . . A 1 GLY CA . 34478 1 5 . 1 . 1 1 1 GLY N N 15 116.5 0.3 . 1 . . . . A 1 GLY N . 34478 1 6 . 1 . 1 2 2 SER H H 1 8.48 0.02 . 1 . . . . A 2 SER H . 34478 1 7 . 1 . 1 2 2 SER HA H 1 4.20 0.02 . 1 . . . . A 2 SER HA . 34478 1 8 . 1 . 1 2 2 SER HB2 H 1 3.65 0.02 . 2 . . . . A 2 SER HB2 . 34478 1 9 . 1 . 1 2 2 SER HB3 H 1 3.59 0.02 . 2 . . . . A 2 SER HB3 . 34478 1 10 . 1 . 1 2 2 SER CA C 13 55.9 0.3 . 1 . . . . A 2 SER CA . 34478 1 11 . 1 . 1 2 2 SER CB C 13 61.7 0.3 . 1 . . . . A 2 SER CB . 34478 1 12 . 1 . 1 2 2 SER N N 15 113.4 0.3 . 1 . . . . A 2 SER N . 34478 1 13 . 1 . 1 3 3 ARG H H 1 7.24 0.02 . 1 . . . . A 3 ARG H . 34478 1 14 . 1 . 1 3 3 ARG HA H 1 4.47 0.02 . 1 . . . . A 3 ARG HA . 34478 1 15 . 1 . 1 3 3 ARG HB2 H 1 1.82 0.02 . 2 . . . . A 3 ARG HB2 . 34478 1 16 . 1 . 1 3 3 ARG HB3 H 1 1.54 0.02 . 2 . . . . A 3 ARG HB3 . 34478 1 17 . 1 . 1 3 3 ARG HG2 H 1 1.40 0.02 . 2 . . . . A 3 ARG HG2 . 34478 1 18 . 1 . 1 3 3 ARG HG3 H 1 1.25 0.02 . 2 . . . . A 3 ARG HG3 . 34478 1 19 . 1 . 1 3 3 ARG HD2 H 1 3.10 0.02 . 2 . . . . A 3 ARG HD2 . 34478 1 20 . 1 . 1 3 3 ARG HD3 H 1 2.98 0.02 . 2 . . . . A 3 ARG HD3 . 34478 1 21 . 1 . 1 3 3 ARG CA C 13 50.6 0.3 . 1 . . . . A 3 ARG CA . 34478 1 22 . 1 . 1 3 3 ARG CB C 13 30.4 0.3 . 1 . . . . A 3 ARG CB . 34478 1 23 . 1 . 1 3 3 ARG CG C 13 30.4 0.3 . 1 . . . . A 3 ARG CG . 34478 1 24 . 1 . 1 3 3 ARG CD C 13 40.1 0.3 . 1 . . . . A 3 ARG CD . 34478 1 25 . 1 . 1 3 3 ARG N N 15 112.5 0.3 . 1 . . . . A 3 ARG N . 34478 1 26 . 1 . 1 4 4 GLY H H 1 8.69 0.02 . 1 . . . . A 4 GLY H . 34478 1 27 . 1 . 1 4 4 GLY HA2 H 1 4.00 0.02 . 2 . . . . A 4 GLY HA2 . 34478 1 28 . 1 . 1 4 4 GLY HA3 H 1 3.34 0.02 . 2 . . . . A 4 GLY HA3 . 34478 1 29 . 1 . 1 4 4 GLY CA C 13 42.1 0.3 . 1 . . . . A 4 GLY CA . 34478 1 30 . 1 . 1 4 4 GLY N N 15 107.4 0.3 . 1 . . . . A 4 GLY N . 34478 1 31 . 1 . 1 5 5 TRP H H 1 8.38 0.02 . 1 . . . . A 5 TRP H . 34478 1 32 . 1 . 1 5 5 TRP HA H 1 5.36 0.02 . 1 . . . . A 5 TRP HA . 34478 1 33 . 1 . 1 5 5 TRP HB2 H 1 2.88 0.02 . 2 . . . . A 5 TRP HB2 . 34478 1 34 . 1 . 1 5 5 TRP HB3 H 1 2.84 0.02 . 2 . . . . A 5 TRP HB3 . 34478 1 35 . 1 . 1 5 5 TRP HD1 H 1 7.19 0.02 . 1 . . . . A 5 TRP HD1 . 34478 1 36 . 1 . 1 5 5 TRP HE1 H 1 10.79 0.02 . 1 . . . . A 5 TRP HE1 . 34478 1 37 . 1 . 1 5 5 TRP HE3 H 1 7.53 0.02 . 1 . . . . A 5 TRP HE3 . 34478 1 38 . 1 . 1 5 5 TRP HZ2 H 1 7.27 0.02 . 1 . . . . A 5 TRP HZ2 . 34478 1 39 . 1 . 1 5 5 TRP HZ3 H 1 6.91 0.02 . 1 . . . . A 5 TRP HZ3 . 34478 1 40 . 1 . 1 5 5 TRP HH2 H 1 7.00 0.02 . 1 . . . . A 5 TRP HH2 . 34478 1 41 . 1 . 1 5 5 TRP CA C 13 51.5 0.3 . 1 . . . . A 5 TRP CA . 34478 1 42 . 1 . 1 5 5 TRP CB C 13 29.2 0.3 . 1 . . . . A 5 TRP CB . 34478 1 43 . 1 . 1 5 5 TRP N N 15 119.3 0.3 . 1 . . . . A 5 TRP N . 34478 1 44 . 1 . 1 5 5 TRP NE1 N 15 131.6 0.3 . 1 . . . . A 5 TRP NE1 . 34478 1 45 . 1 . 1 6 6 GLY H H 1 6.14 0.02 . 1 . . . . A 6 GLY H . 34478 1 46 . 1 . 1 6 6 GLY HA2 H 1 4.21 0.02 . 2 . . . . A 6 GLY HA2 . 34478 1 47 . 1 . 1 6 6 GLY HA3 H 1 3.10 0.02 . 2 . . . . A 6 GLY HA3 . 34478 1 48 . 1 . 1 6 6 GLY CA C 13 43.8 0.3 . 1 . . . . A 6 GLY CA . 34478 1 49 . 1 . 1 6 6 GLY N N 15 105.1 0.3 . 1 . . . . A 6 GLY N . 34478 1 50 . 1 . 1 7 7 PHE H H 1 8.82 0.02 . 1 . . . . A 7 PHE H . 34478 1 51 . 1 . 1 7 7 PHE HA H 1 4.26 0.02 . 1 . . . . A 7 PHE HA . 34478 1 52 . 1 . 1 7 7 PHE HB2 H 1 3.41 0.02 . 2 . . . . A 7 PHE HB2 . 34478 1 53 . 1 . 1 7 7 PHE HB3 H 1 2.61 0.02 . 2 . . . . A 7 PHE HB3 . 34478 1 54 . 1 . 1 7 7 PHE HD1 H 1 7.25 0.02 . 1 . . . . A 7 PHE HD1 . 34478 1 55 . 1 . 1 7 7 PHE HZ H 1 7.33 0.02 . 1 . . . . A 7 PHE HZ . 34478 1 56 . 1 . 1 7 7 PHE CA C 13 54.5 0.3 . 1 . . . . A 7 PHE CA . 34478 1 57 . 1 . 1 7 7 PHE CB C 13 36.9 0.3 . 1 . . . . A 7 PHE CB . 34478 1 58 . 1 . 1 8 8 GLU H H 1 8.82 0.02 . 1 . . . . A 8 GLU H . 34478 1 59 . 1 . 1 8 8 GLU HA H 1 4.31 0.02 . 1 . . . . A 8 GLU HA . 34478 1 60 . 1 . 1 8 8 GLU HB2 H 1 1.69 0.02 . 2 . . . . A 8 GLU HB2 . 34478 1 61 . 1 . 1 8 8 GLU HB3 H 1 1.54 0.02 . 2 . . . . A 8 GLU HB3 . 34478 1 62 . 1 . 1 8 8 GLU HG2 H 1 2.38 0.02 . 2 . . . . A 8 GLU HG2 . 34478 1 63 . 1 . 1 8 8 GLU HG3 H 1 2.15 0.02 . 2 . . . . A 8 GLU HG3 . 34478 1 64 . 1 . 1 8 8 GLU CA C 13 51.8 0.3 . 1 . . . . A 8 GLU CA . 34478 1 65 . 1 . 1 8 8 GLU CB C 13 26.0 0.3 . 1 . . . . A 8 GLU CB . 34478 1 66 . 1 . 1 8 8 GLU CG C 13 32.5 0.3 . 1 . . . . A 8 GLU CG . 34478 1 67 . 1 . 1 8 8 GLU N N 15 118.7 0.3 . 1 . . . . A 8 GLU N . 34478 1 68 . 1 . 1 9 9 PRO HA H 1 4.21 0.02 . 1 . . . . A 9 PRO HA . 34478 1 69 . 1 . 1 9 9 PRO HB2 H 1 2.16 0.02 . 2 . . . . A 9 PRO HB2 . 34478 1 70 . 1 . 1 9 9 PRO HB3 H 1 2.10 0.02 . 2 . . . . A 9 PRO HB3 . 34478 1 71 . 1 . 1 9 9 PRO HG2 H 1 1.90 0.02 . 2 . . . . A 9 PRO HG2 . 34478 1 72 . 1 . 1 9 9 PRO HG3 H 1 1.74 0.02 . 2 . . . . A 9 PRO HG3 . 34478 1 73 . 1 . 1 9 9 PRO HD2 H 1 3.56 0.02 . 2 . . . . A 9 PRO HD2 . 34478 1 74 . 1 . 1 9 9 PRO HD3 H 1 3.88 0.02 . 2 . . . . A 9 PRO HD3 . 34478 1 75 . 1 . 1 9 9 PRO CA C 13 61.2 0.3 . 1 . . . . A 9 PRO CA . 34478 1 76 . 1 . 1 9 9 PRO CG C 13 28.3 0.3 . 1 . . . . A 9 PRO CG . 34478 1 77 . 1 . 1 9 9 PRO CD C 13 47.0 0.3 . 1 . . . . A 9 PRO CD . 34478 1 78 . 1 . 1 10 10 GLY H H 1 8.77 0.02 . 1 . . . . A 10 GLY H . 34478 1 79 . 1 . 1 10 10 GLY HA2 H 1 3.97 0.02 . 2 . . . . A 10 GLY HA2 . 34478 1 80 . 1 . 1 10 10 GLY HA3 H 1 3.30 0.02 . 2 . . . . A 10 GLY HA3 . 34478 1 81 . 1 . 1 10 10 GLY CA C 13 41.6 0.3 . 1 . . . . A 10 GLY CA . 34478 1 82 . 1 . 1 10 10 GLY N N 15 111.0 0.3 . 1 . . . . A 10 GLY N . 34478 1 83 . 1 . 1 11 11 VAL H H 1 8.30 0.02 . 1 . . . . A 11 VAL H . 34478 1 84 . 1 . 1 11 11 VAL HA H 1 3.66 0.02 . 1 . . . . A 11 VAL HA . 34478 1 85 . 1 . 1 11 11 VAL HB H 1 2.69 0.02 . 1 . . . . A 11 VAL HB . 34478 1 86 . 1 . 1 11 11 VAL HG11 H 1 0.97 0.02 . 1 . . . . A 11 VAL HG11 . 34478 1 87 . 1 . 1 11 11 VAL HG12 H 1 0.97 0.02 . 1 . . . . A 11 VAL HG12 . 34478 1 88 . 1 . 1 11 11 VAL HG13 H 1 0.97 0.02 . 1 . . . . A 11 VAL HG13 . 34478 1 89 . 1 . 1 11 11 VAL HG21 H 1 0.80 0.02 . 1 . . . . A 11 VAL HG21 . 34478 1 90 . 1 . 1 11 11 VAL HG22 H 1 0.80 0.02 . 1 . . . . A 11 VAL HG22 . 34478 1 91 . 1 . 1 11 11 VAL HG23 H 1 0.80 0.02 . 1 . . . . A 11 VAL HG23 . 34478 1 92 . 1 . 1 11 11 VAL CA C 13 58.7 0.3 . 1 . . . . A 11 VAL CA . 34478 1 93 . 1 . 1 11 11 VAL CB C 13 25.4 0.3 . 1 . . . . A 11 VAL CB . 34478 1 94 . 1 . 1 11 11 VAL CG1 C 13 21.5 0.3 . 1 . . . . A 11 VAL CG1 . 34478 1 95 . 1 . 1 11 11 VAL CG2 C 13 19.5 0.3 . 1 . . . . A 11 VAL CG2 . 34478 1 96 . 1 . 1 11 11 VAL N N 15 114.4 0.3 . 1 . . . . A 11 VAL N . 34478 1 97 . 1 . 1 12 12 ARG H H 1 6.47 0.02 . 1 . . . . A 12 ARG H . 34478 1 98 . 1 . 1 12 12 ARG HA H 1 4.85 0.02 . 1 . . . . A 12 ARG HA . 34478 1 99 . 1 . 1 12 12 ARG HB2 H 1 1.21 0.02 . 2 . . . . A 12 ARG HB2 . 34478 1 100 . 1 . 1 12 12 ARG HB3 H 1 1.16 0.02 . 2 . . . . A 12 ARG HB3 . 34478 1 101 . 1 . 1 12 12 ARG HG2 H 1 1.37 0.02 . 2 . . . . A 12 ARG HG2 . 34478 1 102 . 1 . 1 12 12 ARG HG3 H 1 1.15 0.02 . 2 . . . . A 12 ARG HG3 . 34478 1 103 . 1 . 1 12 12 ARG HD2 H 1 3.10 0.02 . 2 . . . . A 12 ARG HD2 . 34478 1 104 . 1 . 1 12 12 ARG HD3 H 1 2.51 0.02 . 2 . . . . A 12 ARG HD3 . 34478 1 105 . 1 . 1 12 12 ARG CA C 13 49.1 0.3 . 1 . . . . A 12 ARG CA . 34478 1 106 . 1 . 1 12 12 ARG CB C 13 30.4 0.3 . 1 . . . . A 12 ARG CB . 34478 1 107 . 1 . 1 12 12 ARG CG C 13 23.7 0.3 . 1 . . . . A 12 ARG CG . 34478 1 108 . 1 . 1 12 12 ARG CD C 13 39.6 0.3 . 1 . . . . A 12 ARG CD . 34478 1 109 . 1 . 1 12 12 ARG N N 15 116.1 0.3 . 1 . . . . A 12 ARG N . 34478 1 110 . 1 . 1 13 13 CYS H H 1 7.47 0.02 . 1 . . . . A 19 CYS H . 34478 1 111 . 1 . 1 13 13 CYS HA H 1 3.99 0.02 . 1 . . . . A 19 CYS HA . 34478 1 112 . 1 . 1 13 13 CYS HB2 H 1 3.22 0.02 . 2 . . . . A 19 CYS HB2 . 34478 1 113 . 1 . 1 13 13 CYS HB3 H 1 3.11 0.02 . 2 . . . . A 19 CYS HB3 . 34478 1 114 . 1 . 1 13 13 CYS CA C 13 54.5 0.3 . 1 . . . . A 19 CYS CA . 34478 1 115 . 1 . 1 13 13 CYS CB C 13 40.6 0.3 . 1 . . . . A 19 CYS CB . 34478 1 116 . 1 . 1 13 13 CYS N N 15 119.1 0.3 . 1 . . . . A 19 CYS N . 34478 1 117 . 1 . 1 14 14 LEU H H 1 7.31 0.02 . 1 . . . . A 20 LEU H . 34478 1 118 . 1 . 1 14 14 LEU HA H 1 4.49 0.02 . 1 . . . . A 20 LEU HA . 34478 1 119 . 1 . 1 14 14 LEU HB2 H 1 1.98 0.02 . 2 . . . . A 20 LEU HB2 . 34478 1 120 . 1 . 1 14 14 LEU HB3 H 1 1.31 0.02 . 2 . . . . A 20 LEU HB3 . 34478 1 121 . 1 . 1 14 14 LEU HG H 1 1.46 0.02 . 1 . . . . A 20 LEU HG . 34478 1 122 . 1 . 1 14 14 LEU HD11 H 1 0.85 0.02 . 1 . . . . A 20 LEU HD11 . 34478 1 123 . 1 . 1 14 14 LEU HD12 H 1 0.85 0.02 . 1 . . . . A 20 LEU HD12 . 34478 1 124 . 1 . 1 14 14 LEU HD13 H 1 0.85 0.02 . 1 . . . . A 20 LEU HD13 . 34478 1 125 . 1 . 1 14 14 LEU HD21 H 1 0.83 0.02 . 1 . . . . A 20 LEU HD21 . 34478 1 126 . 1 . 1 14 14 LEU HD22 H 1 0.83 0.02 . 1 . . . . A 20 LEU HD22 . 34478 1 127 . 1 . 1 14 14 LEU HD23 H 1 0.83 0.02 . 1 . . . . A 20 LEU HD23 . 34478 1 128 . 1 . 1 14 14 LEU CA C 13 53.3 0.3 . 1 . . . . A 20 LEU CA . 34478 1 129 . 1 . 1 14 14 LEU CB C 13 41.9 0.3 . 1 . . . . A 20 LEU CB . 34478 1 130 . 1 . 1 14 14 LEU CG C 13 23.9 0.3 . 1 . . . . A 20 LEU CG . 34478 1 131 . 1 . 1 14 14 LEU CD1 C 13 20.7 0.3 . 1 . . . . A 20 LEU CD1 . 34478 1 132 . 1 . 1 14 14 LEU CD2 C 13 23.5 0.3 . 1 . . . . A 20 LEU CD2 . 34478 1 133 . 1 . 1 14 14 LEU N N 15 112.8 0.3 . 1 . . . . A 20 LEU N . 34478 1 134 . 1 . 1 15 15 ILE H H 1 8.83 0.02 . 1 . . . . A 21 ILE H . 34478 1 135 . 1 . 1 15 15 ILE HA H 1 4.31 0.02 . 1 . . . . A 21 ILE HA . 34478 1 136 . 1 . 1 15 15 ILE HB H 1 1.70 0.02 . 1 . . . . A 21 ILE HB . 34478 1 137 . 1 . 1 15 15 ILE HG12 H 1 1.23 0.02 . 2 . . . . A 21 ILE HG12 . 34478 1 138 . 1 . 1 15 15 ILE HG13 H 1 0.83 0.02 . 2 . . . . A 21 ILE HG13 . 34478 1 139 . 1 . 1 15 15 ILE HG21 H 1 0.24 0.02 . 1 . . . . A 21 ILE HG21 . 34478 1 140 . 1 . 1 15 15 ILE HG22 H 1 0.24 0.02 . 1 . . . . A 21 ILE HG22 . 34478 1 141 . 1 . 1 15 15 ILE HG23 H 1 0.24 0.02 . 1 . . . . A 21 ILE HG23 . 34478 1 142 . 1 . 1 15 15 ILE HD11 H 1 0.66 0.02 . 1 . . . . A 21 ILE HD11 . 34478 1 143 . 1 . 1 15 15 ILE HD12 H 1 0.66 0.02 . 1 . . . . A 21 ILE HD12 . 34478 1 144 . 1 . 1 15 15 ILE HD13 H 1 0.66 0.02 . 1 . . . . A 21 ILE HD13 . 34478 1 145 . 1 . 1 15 15 ILE CA C 13 61.3 0.3 . 1 . . . . A 21 ILE CA . 34478 1 146 . 1 . 1 15 15 ILE CG1 C 13 24.5 0.3 . 1 . . . . A 21 ILE CG1 . 34478 1 147 . 1 . 1 15 15 ILE CG2 C 13 14.2 0.3 . 1 . . . . A 21 ILE CG2 . 34478 1 148 . 1 . 1 15 15 ILE CD1 C 13 10.3 0.3 . 1 . . . . A 21 ILE CD1 . 34478 1 149 . 1 . 1 16 16 TRP H H 1 8.51 0.02 . 1 . . . . A 22 TRP H . 34478 1 150 . 1 . 1 16 16 TRP HA H 1 4.48 0.02 . 1 . . . . A 22 TRP HA . 34478 1 151 . 1 . 1 16 16 TRP HB2 H 1 3.31 0.02 . 2 . . . . A 22 TRP HB2 . 34478 1 152 . 1 . 1 16 16 TRP HB3 H 1 3.28 0.02 . 2 . . . . A 22 TRP HB3 . 34478 1 153 . 1 . 1 16 16 TRP HD1 H 1 7.22 0.02 . 1 . . . . A 22 TRP HD1 . 34478 1 154 . 1 . 1 16 16 TRP HE1 H 1 10.83 0.02 . 1 . . . . A 22 TRP HE1 . 34478 1 155 . 1 . 1 16 16 TRP HE3 H 1 7.57 0.02 . 1 . . . . A 22 TRP HE3 . 34478 1 156 . 1 . 1 16 16 TRP HZ2 H 1 7.31 0.02 . 1 . . . . A 22 TRP HZ2 . 34478 1 157 . 1 . 1 16 16 TRP HZ3 H 1 6.95 0.02 . 1 . . . . A 22 TRP HZ3 . 34478 1 158 . 1 . 1 16 16 TRP HH2 H 1 7.04 0.02 . 1 . . . . A 22 TRP HH2 . 34478 1 159 . 1 . 1 16 16 TRP CA C 13 50.9 0.3 . 1 . . . . A 22 TRP CA . 34478 1 160 . 1 . 1 16 16 TRP CB C 13 25.7 0.3 . 1 . . . . A 22 TRP CB . 34478 1 161 . 1 . 1 16 16 TRP N N 15 113.4 0.3 . 1 . . . . A 22 TRP N . 34478 1 162 . 1 . 1 16 16 TRP NE1 N 15 131.0 0.3 . 1 . . . . A 22 TRP NE1 . 34478 1 163 . 1 . 1 17 17 CYS H H 1 7.56 0.02 . 1 . . . . A 23 CYS H . 34478 1 164 . 1 . 1 17 17 CYS HA H 1 4.67 0.02 . 1 . . . . A 23 CYS HA . 34478 1 165 . 1 . 1 17 17 CYS HB2 H 1 3.17 0.02 . 2 . . . . A 23 CYS HB2 . 34478 1 166 . 1 . 1 17 17 CYS HB3 H 1 3.15 0.02 . 2 . . . . A 23 CYS HB3 . 34478 1 167 . 1 . 1 17 17 CYS CA C 13 50.8 0.3 . 1 . . . . A 23 CYS CA . 34478 1 168 . 1 . 1 17 17 CYS CB C 13 41.6 0.3 . 1 . . . . A 23 CYS CB . 34478 1 169 . 1 . 1 17 17 CYS N N 15 119.1 0.3 . 1 . . . . A 23 CYS N . 34478 1 170 . 1 . 1 18 18 ASP H H 1 7.94 0.02 . 1 . . . . A 24 ASP H . 34478 1 171 . 1 . 1 18 18 ASP HA H 1 4.25 0.02 . 1 . . . . A 24 ASP HA . 34478 1 172 . 1 . 1 18 18 ASP HB2 H 1 2.60 0.02 . 2 . . . . A 24 ASP HB2 . 34478 1 173 . 1 . 1 18 18 ASP HB3 H 1 2.35 0.02 . 2 . . . . A 24 ASP HB3 . 34478 1 174 . 1 . 1 18 18 ASP CA C 13 49.5 0.3 . 1 . . . . A 24 ASP CA . 34478 1 175 . 1 . 1 18 18 ASP CB C 13 38.4 0.3 . 1 . . . . A 24 ASP CB . 34478 1 176 . 1 . 1 18 18 ASP N N 15 122.5 0.3 . 1 . . . . A 24 ASP N . 34478 1 stop_ save_