################################### # 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_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 18463 _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 $chemical_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' . . . 18463 1 2 '2D 1H-13C HSQC aliphatic' . . . 18463 1 3 '2D 1H-13C HSQC aromatic' . . . 18463 1 4 '2D 1H-1H TOCSY' . . . 18463 1 5 '2D DQF-COSY' . . . 18463 1 6 '2D 1H-1H NOESY' . . . 18463 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 GLY HA2 H 1 3.644 0.01 . 2 . . . A 1 GLY HA2 . 18463 1 2 . 1 1 1 1 GLY HA3 H 1 3.798 0.01 . 2 . . . A 1 GLY HA3 . 18463 1 3 . 1 1 1 1 GLY CA C 13 43.080 0.01 . 1 . . . A 1 GLY CA . 18463 1 4 . 1 1 2 2 PHE H H 1 8.600 0.01 . 1 . . . A 2 PHE H . 18463 1 5 . 1 1 2 2 PHE HA H 1 3.971 0.01 . 1 . . . A 2 PHE HA . 18463 1 6 . 1 1 2 2 PHE HB2 H 1 2.738 0.01 . 2 . . . A 2 PHE HB2 . 18463 1 7 . 1 1 2 2 PHE HB3 H 1 2.864 0.01 . 2 . . . A 2 PHE HB3 . 18463 1 8 . 1 1 2 2 PHE HD1 H 1 6.821 0.01 . 3 . . . A 2 PHE HD1 . 18463 1 9 . 1 1 2 2 PHE HE1 H 1 7.154 0.01 . 3 . . . A 2 PHE HE1 . 18463 1 10 . 1 1 2 2 PHE CA C 13 59.042 0.01 . 1 . . . A 2 PHE CA . 18463 1 11 . 1 1 2 2 PHE CB C 13 37.320 0.01 . 1 . . . A 2 PHE CB . 18463 1 12 . 1 1 2 2 PHE CD1 C 13 131.247 0.01 . 3 . . . A 2 PHE CD1 . 18463 1 13 . 1 1 2 2 PHE CE1 C 13 132.126 0.01 . 3 . . . A 2 PHE CE1 . 18463 1 14 . 1 1 3 3 GLY H H 1 8.004 0.01 . 1 . . . A 3 GLY H . 18463 1 15 . 1 1 3 3 GLY HA2 H 1 3.424 0.01 . 2 . . . A 3 GLY HA2 . 18463 1 16 . 1 1 3 3 GLY HA3 H 1 4.699 0.01 . 2 . . . A 3 GLY HA3 . 18463 1 17 . 1 1 3 3 GLY CA C 13 44.873 0.01 . 1 . . . A 3 GLY CA . 18463 1 18 . 1 1 4 4 CYS H H 1 7.575 0.01 . 1 . . . A 4 CYS H . 18463 1 19 . 1 1 4 4 CYS HA H 1 4.773 0.01 . 1 . . . A 4 CYS HA . 18463 1 20 . 1 1 4 4 CYS HB2 H 1 2.578 0.01 . 2 . . . A 4 CYS HB2 . 18463 1 21 . 1 1 4 4 CYS HB3 H 1 3.363 0.01 . 2 . . . A 4 CYS HB3 . 18463 1 22 . 1 1 4 4 CYS CB C 13 37.787 0.01 . 1 . . . A 4 CYS CB . 18463 1 23 . 1 1 5 5 PRO HA H 1 4.689 0.01 . 1 . . . A 5 PRO HA . 18463 1 24 . 1 1 5 5 PRO HB2 H 1 2.075 0.01 . 2 . . . A 5 PRO HB2 . 18463 1 25 . 1 1 5 5 PRO HB3 H 1 2.170 0.01 . 2 . . . A 5 PRO HB3 . 18463 1 26 . 1 1 5 5 PRO HG2 H 1 1.868 0.01 . 2 . . . A 5 PRO HG2 . 18463 1 27 . 1 1 5 5 PRO HG3 H 1 1.999 0.01 . 2 . . . A 5 PRO HG3 . 18463 1 28 . 1 1 5 5 PRO HD2 H 1 3.433 0.01 . 2 . . . A 5 PRO HD2 . 18463 1 29 . 1 1 5 5 PRO HD3 H 1 3.679 0.01 . 2 . . . A 5 PRO HD3 . 18463 1 30 . 1 1 5 5 PRO CA C 13 63.109 0.01 . 1 . . . A 5 PRO CA . 18463 1 31 . 1 1 5 5 PRO CB C 13 35.383 0.01 . 1 . . . A 5 PRO CB . 18463 1 32 . 1 1 5 5 PRO CD C 13 50.918 0.01 . 1 . . . A 5 PRO CD . 18463 1 33 . 1 1 6 6 GLY H H 1 8.907 0.01 . 1 . . . A 6 GLY H . 18463 1 34 . 1 1 6 6 GLY HA2 H 1 3.803 0.01 . 2 . . . A 6 GLY HA2 . 18463 1 35 . 1 1 6 6 GLY HA3 H 1 4.468 0.01 . 2 . . . A 6 GLY HA3 . 18463 1 36 . 1 1 6 6 GLY CA C 13 46.594 0.01 . 1 . . . A 6 GLY CA . 18463 1 37 . 1 1 7 7 ASP H H 1 8.466 0.01 . 1 . . . A 7 ASP H . 18463 1 38 . 1 1 7 7 ASP HA H 1 5.007 0.01 . 1 . . . A 7 ASP HA . 18463 1 39 . 1 1 7 7 ASP HB2 H 1 2.549 0.01 . 2 . . . A 7 ASP HB2 . 18463 1 40 . 1 1 7 7 ASP HB3 H 1 3.184 0.01 . 2 . . . A 7 ASP HB3 . 18463 1 41 . 1 1 7 7 ASP CA C 13 52.476 0.01 . 1 . . . A 7 ASP CA . 18463 1 42 . 1 1 7 7 ASP CB C 13 40.265 0.01 . 1 . . . A 7 ASP CB . 18463 1 43 . 1 1 8 8 ALA H H 1 8.560 0.01 . 1 . . . A 8 ALA H . 18463 1 44 . 1 1 8 8 ALA HA H 1 3.997 0.01 . 1 . . . A 8 ALA HA . 18463 1 45 . 1 1 8 8 ALA HB1 H 1 1.589 0.01 . 1 . . . A 8 ALA HB1 . 18463 1 46 . 1 1 8 8 ALA HB2 H 1 1.589 0.01 . 1 . . . A 8 ALA HB2 . 18463 1 47 . 1 1 8 8 ALA HB3 H 1 1.589 0.01 . 1 . . . A 8 ALA HB3 . 18463 1 48 . 1 1 8 8 ALA CB C 13 18.899 0.01 . 1 . . . A 8 ALA CB . 18463 1 49 . 1 1 9 9 TYR H H 1 8.432 0.01 . 1 . . . A 9 TYR H . 18463 1 50 . 1 1 9 9 TYR HA H 1 4.310 0.01 . 1 . . . A 9 TYR HA . 18463 1 51 . 1 1 9 9 TYR HB2 H 1 3.165 0.01 . 2 . . . A 9 TYR HB2 . 18463 1 52 . 1 1 9 9 TYR HB3 H 1 3.242 0.01 . 2 . . . A 9 TYR HB3 . 18463 1 53 . 1 1 9 9 TYR HD2 H 1 7.205 0.01 . 3 . . . A 9 TYR HD2 . 18463 1 54 . 1 1 9 9 TYR HE2 H 1 6.830 0.01 . 3 . . . A 9 TYR HE2 . 18463 1 55 . 1 1 9 9 TYR CB C 13 37.479 0.01 . 1 . . . A 9 TYR CB . 18463 1 56 . 1 1 9 9 TYR CD2 C 13 133.266 0.01 . 3 . . . A 9 TYR CD2 . 18463 1 57 . 1 1 9 9 TYR CE2 C 13 118.280 0.01 . 3 . . . A 9 TYR CE2 . 18463 1 58 . 1 1 10 10 GLN H H 1 7.861 0.01 . 1 . . . A 10 GLN H . 18463 1 59 . 1 1 10 10 GLN HA H 1 3.944 0.01 . 1 . . . A 10 GLN HA . 18463 1 60 . 1 1 10 10 GLN HB2 H 1 2.046 0.01 . 2 . . . A 10 GLN HB2 . 18463 1 61 . 1 1 10 10 GLN HB3 H 1 2.151 0.01 . 2 . . . A 10 GLN HB3 . 18463 1 62 . 1 1 10 10 GLN HG2 H 1 2.252 0.01 . 2 . . . A 10 GLN HG2 . 18463 1 63 . 1 1 10 10 GLN HG3 H 1 2.488 0.01 . 2 . . . A 10 GLN HG3 . 18463 1 64 . 1 1 10 10 GLN HE21 H 1 7.642 0.01 . 2 . . . A 10 GLN HE21 . 18463 1 65 . 1 1 10 10 GLN HE22 H 1 6.953 0.01 . 2 . . . A 10 GLN HE22 . 18463 1 66 . 1 1 10 10 GLN CA C 13 58.635 0.01 . 1 . . . A 10 GLN CA . 18463 1 67 . 1 1 10 10 GLN CB C 13 28.359 0.01 . 1 . . . A 10 GLN CB . 18463 1 68 . 1 1 10 10 GLN CG C 13 34.081 0.01 . 1 . . . A 10 GLN CG . 18463 1 69 . 1 1 10 10 GLN NE2 N 15 111.968 0.01 . 1 . . . A 10 GLN NE2 . 18463 1 70 . 1 1 11 11 CYS H H 1 7.341 0.01 . 1 . . . A 11 CYS H . 18463 1 71 . 1 1 11 11 CYS HA H 1 4.887 0.01 . 1 . . . A 11 CYS HA . 18463 1 72 . 1 1 11 11 CYS HB2 H 1 2.654 0.01 . 2 . . . A 11 CYS HB2 . 18463 1 73 . 1 1 11 11 CYS HB3 H 1 3.611 0.01 . 2 . . . A 11 CYS HB3 . 18463 1 74 . 1 1 11 11 CYS CA C 13 58.558 0.01 . 1 . . . A 11 CYS CA . 18463 1 75 . 1 1 11 11 CYS CB C 13 35.874 0.01 . 1 . . . A 11 CYS CB . 18463 1 76 . 1 1 12 12 SER H H 1 8.513 0.01 . 1 . . . A 12 SER H . 18463 1 77 . 1 1 12 12 SER HA H 1 3.692 0.01 . 1 . . . A 12 SER HA . 18463 1 78 . 1 1 12 12 SER HB2 H 1 4.097 0.01 . 2 . . . A 12 SER HB2 . 18463 1 79 . 1 1 12 12 SER CB C 13 62.945 0.01 . 1 . . . A 12 SER CB . 18463 1 80 . 1 1 12 12 SER N N 15 117.382 0.01 . 1 . . . A 12 SER N . 18463 1 81 . 1 1 13 13 GLU H H 1 8.199 0.01 . 1 . . . A 13 GLU H . 18463 1 82 . 1 1 13 13 GLU HA H 1 3.830 0.01 . 1 . . . A 13 GLU HA . 18463 1 83 . 1 1 13 13 GLU HB2 H 1 1.986 0.01 . 2 . . . A 13 GLU HB2 . 18463 1 84 . 1 1 13 13 GLU HG2 H 1 1.912 0.01 . 2 . . . A 13 GLU HG2 . 18463 1 85 . 1 1 13 13 GLU HG3 H 1 2.113 0.01 . 2 . . . A 13 GLU HG3 . 18463 1 86 . 1 1 13 13 GLU CA C 13 59.100 0.01 . 1 . . . A 13 GLU CA . 18463 1 87 . 1 1 13 13 GLU CB C 13 29.300 0.01 . 1 . . . A 13 GLU CB . 18463 1 88 . 1 1 13 13 GLU CG C 13 33.089 0.01 . 1 . . . A 13 GLU CG . 18463 1 89 . 1 1 14 14 HIS H H 1 8.250 0.01 . 1 . . . A 14 HIS H . 18463 1 90 . 1 1 14 14 HIS HA H 1 4.267 0.01 . 1 . . . A 14 HIS HA . 18463 1 91 . 1 1 14 14 HIS HB2 H 1 3.312 0.01 . 2 . . . A 14 HIS HB2 . 18463 1 92 . 1 1 14 14 HIS HB3 H 1 3.607 0.01 . 2 . . . A 14 HIS HB3 . 18463 1 93 . 1 1 14 14 HIS HD2 H 1 6.779 0.01 . 1 . . . A 14 HIS HD2 . 18463 1 94 . 1 1 14 14 HIS HE1 H 1 8.039 0.01 . 1 . . . A 14 HIS HE1 . 18463 1 95 . 1 1 14 14 HIS CA C 13 58.635 0.01 . 1 . . . A 14 HIS CA . 18463 1 96 . 1 1 14 14 HIS CB C 13 27.075 0.01 . 1 . . . A 14 HIS CB . 18463 1 97 . 1 1 14 14 HIS CD2 C 13 118.805 0.01 . 1 . . . A 14 HIS CD2 . 18463 1 98 . 1 1 14 14 HIS CE1 C 13 136.687 0.01 . 1 . . . A 14 HIS CE1 . 18463 1 99 . 1 1 15 15 CYS H H 1 8.419 0.01 . 1 . . . A 15 CYS H . 18463 1 100 . 1 1 15 15 CYS HA H 1 3.744 0.01 . 1 . . . A 15 CYS HA . 18463 1 101 . 1 1 15 15 CYS HB2 H 1 2.449 0.01 . 2 . . . A 15 CYS HB2 . 18463 1 102 . 1 1 15 15 CYS HB3 H 1 2.687 0.01 . 2 . . . A 15 CYS HB3 . 18463 1 103 . 1 1 15 15 CYS CA C 13 59.908 0.01 . 1 . . . A 15 CYS CA . 18463 1 104 . 1 1 15 15 CYS CB C 13 39.359 0.01 . 1 . . . A 15 CYS CB . 18463 1 105 . 1 1 16 16 ARG H H 1 8.081 0.01 . 1 . . . A 16 ARG H . 18463 1 106 . 1 1 16 16 ARG HA H 1 3.595 0.01 . 1 . . . A 16 ARG HA . 18463 1 107 . 1 1 16 16 ARG HB2 H 1 1.682 0.01 . 2 . . . A 16 ARG HB2 . 18463 1 108 . 1 1 16 16 ARG HB3 H 1 1.756 0.01 . 2 . . . A 16 ARG HB3 . 18463 1 109 . 1 1 16 16 ARG HG2 H 1 1.274 0.01 . 2 . . . A 16 ARG HG2 . 18463 1 110 . 1 1 16 16 ARG HG3 H 1 1.476 0.01 . 2 . . . A 16 ARG HG3 . 18463 1 111 . 1 1 16 16 ARG HD2 H 1 3.120 0.01 . 2 . . . A 16 ARG HD2 . 18463 1 112 . 1 1 16 16 ARG HE H 1 7.167 0.01 . 1 . . . A 16 ARG HE . 18463 1 113 . 1 1 16 16 ARG CA C 13 60.189 0.01 . 1 . . . A 16 ARG CA . 18463 1 114 . 1 1 16 16 ARG CB C 13 30.308 0.01 . 1 . . . A 16 ARG CB . 18463 1 115 . 1 1 16 16 ARG CG C 13 29.305 0.01 . 1 . . . A 16 ARG CG . 18463 1 116 . 1 1 16 16 ARG CD C 13 43.558 0.01 . 1 . . . A 16 ARG CD . 18463 1 117 . 1 1 16 16 ARG NE N 15 84.487 0.01 . 1 . . . A 16 ARG NE . 18463 1 118 . 1 1 17 17 ALA H H 1 7.763 0.01 . 1 . . . A 17 ALA H . 18463 1 119 . 1 1 17 17 ALA HA H 1 4.079 0.01 . 1 . . . A 17 ALA HA . 18463 1 120 . 1 1 17 17 ALA HB1 H 1 1.439 0.01 . 1 . . . A 17 ALA HB1 . 18463 1 121 . 1 1 17 17 ALA HB2 H 1 1.439 0.01 . 1 . . . A 17 ALA HB2 . 18463 1 122 . 1 1 17 17 ALA HB3 H 1 1.439 0.01 . 1 . . . A 17 ALA HB3 . 18463 1 123 . 1 1 17 17 ALA CA C 13 54.160 0.01 . 1 . . . A 17 ALA CA . 18463 1 124 . 1 1 17 17 ALA CB C 13 17.772 0.01 . 1 . . . A 17 ALA CB . 18463 1 125 . 1 1 18 18 LEU H H 1 7.265 0.01 . 1 . . . A 18 LEU H . 18463 1 126 . 1 1 18 18 LEU HA H 1 4.007 0.01 . 1 . . . A 18 LEU HA . 18463 1 127 . 1 1 18 18 LEU HB2 H 1 1.222 0.01 . 2 . . . A 18 LEU HB2 . 18463 1 128 . 1 1 18 18 LEU HB3 H 1 1.916 0.01 . 2 . . . A 18 LEU HB3 . 18463 1 129 . 1 1 18 18 LEU HG H 1 1.342 0.01 . 1 . . . A 18 LEU HG . 18463 1 130 . 1 1 18 18 LEU HD11 H 1 0.554 0.01 . 2 . . . A 18 LEU HD11 . 18463 1 131 . 1 1 18 18 LEU HD12 H 1 0.554 0.01 . 2 . . . A 18 LEU HD12 . 18463 1 132 . 1 1 18 18 LEU HD13 H 1 0.554 0.01 . 2 . . . A 18 LEU HD13 . 18463 1 133 . 1 1 18 18 LEU HD21 H 1 0.626 0.01 . 2 . . . A 18 LEU HD21 . 18463 1 134 . 1 1 18 18 LEU HD22 H 1 0.626 0.01 . 2 . . . A 18 LEU HD22 . 18463 1 135 . 1 1 18 18 LEU HD23 H 1 0.626 0.01 . 2 . . . A 18 LEU HD23 . 18463 1 136 . 1 1 18 18 LEU CB C 13 42.373 0.01 . 1 . . . A 18 LEU CB . 18463 1 137 . 1 1 18 18 LEU CG C 13 25.604 0.01 . 1 . . . A 18 LEU CG . 18463 1 138 . 1 1 18 18 LEU CD1 C 13 24.983 0.01 . 2 . . . A 18 LEU CD1 . 18463 1 139 . 1 1 18 18 LEU CD2 C 13 21.989 0.01 . 2 . . . A 18 LEU CD2 . 18463 1 140 . 1 1 20 20 GLY H H 1 9.107 0.01 . 1 . . . A 20 GLY H . 18463 1 141 . 1 1 20 20 GLY HA2 H 1 3.888 0.01 . 2 . . . A 20 GLY HA2 . 18463 1 142 . 1 1 20 20 GLY HA3 H 1 3.993 0.01 . 2 . . . A 20 GLY HA3 . 18463 1 143 . 1 1 20 20 GLY CA C 13 47.074 0.01 . 1 . . . A 20 GLY CA . 18463 1 144 . 1 1 21 21 GLY H H 1 8.671 0.01 . 1 . . . A 21 GLY H . 18463 1 145 . 1 1 21 21 GLY HA2 H 1 3.642 0.01 . 2 . . . A 21 GLY HA2 . 18463 1 146 . 1 1 21 21 GLY HA3 H 1 4.402 0.01 . 2 . . . A 21 GLY HA3 . 18463 1 147 . 1 1 21 21 GLY CA C 13 44.531 0.01 . 1 . . . A 21 GLY CA . 18463 1 148 . 1 1 22 22 ARG H H 1 6.965 0.01 . 1 . . . A 22 ARG H . 18463 1 149 . 1 1 22 22 ARG HA H 1 3.993 0.01 . 1 . . . A 22 ARG HA . 18463 1 150 . 1 1 22 22 ARG HB2 H 1 1.068 0.01 . 2 . . . A 22 ARG HB2 . 18463 1 151 . 1 1 22 22 ARG HB3 H 1 1.600 0.01 . 2 . . . A 22 ARG HB3 . 18463 1 152 . 1 1 22 22 ARG HG2 H 1 0.427 0.01 . 2 . . . A 22 ARG HG2 . 18463 1 153 . 1 1 22 22 ARG HG3 H 1 1.443 0.01 . 2 . . . A 22 ARG HG3 . 18463 1 154 . 1 1 22 22 ARG HD2 H 1 3.069 0.01 . 2 . . . A 22 ARG HD2 . 18463 1 155 . 1 1 22 22 ARG HD3 H 1 3.345 0.01 . 2 . . . A 22 ARG HD3 . 18463 1 156 . 1 1 22 22 ARG HE H 1 7.424 0.01 . 1 . . . A 22 ARG HE . 18463 1 157 . 1 1 22 22 ARG CA C 13 56.615 0.01 . 1 . . . A 22 ARG CA . 18463 1 158 . 1 1 22 22 ARG CB C 13 30.724 0.01 . 1 . . . A 22 ARG CB . 18463 1 159 . 1 1 22 22 ARG CG C 13 29.955 0.01 . 1 . . . A 22 ARG CG . 18463 1 160 . 1 1 22 22 ARG CD C 13 44.669 0.01 . 1 . . . A 22 ARG CD . 18463 1 161 . 1 1 22 22 ARG N N 15 119.872 0.01 . 1 . . . A 22 ARG N . 18463 1 162 . 1 1 22 22 ARG NE N 15 84.858 0.01 . 1 . . . A 22 ARG NE . 18463 1 163 . 1 1 23 23 THR H H 1 8.837 0.01 . 1 . . . A 23 THR H . 18463 1 164 . 1 1 23 23 THR HA H 1 4.277 0.01 . 1 . . . A 23 THR HA . 18463 1 165 . 1 1 23 23 THR HB H 1 4.277 0.01 . 1 . . . A 23 THR HB . 18463 1 166 . 1 1 23 23 THR HG21 H 1 1.193 0.01 . 1 . . . A 23 THR HG21 . 18463 1 167 . 1 1 23 23 THR HG22 H 1 1.193 0.01 . 1 . . . A 23 THR HG22 . 18463 1 168 . 1 1 23 23 THR HG23 H 1 1.193 0.01 . 1 . . . A 23 THR HG23 . 18463 1 169 . 1 1 23 23 THR CB C 13 70.344 0.01 . 1 . . . A 23 THR CB . 18463 1 170 . 1 1 23 23 THR CG2 C 13 21.470 0.01 . 1 . . . A 23 THR CG2 . 18463 1 171 . 1 1 24 24 GLY H H 1 7.354 0.01 . 1 . . . A 24 GLY H . 18463 1 172 . 1 1 24 24 GLY HA2 H 1 3.940 0.01 . 2 . . . A 24 GLY HA2 . 18463 1 173 . 1 1 24 24 GLY HA3 H 1 4.274 0.01 . 2 . . . A 24 GLY HA3 . 18463 1 174 . 1 1 24 24 GLY CA C 13 45.157 0.01 . 1 . . . A 24 GLY CA . 18463 1 175 . 1 1 25 25 GLY H H 1 8.054 0.01 . 1 . . . A 25 GLY H . 18463 1 176 . 1 1 25 25 GLY HA2 H 1 4.224 0.01 . 2 . . . A 25 GLY HA2 . 18463 1 177 . 1 1 25 25 GLY HA3 H 1 4.851 0.01 . 2 . . . A 25 GLY HA3 . 18463 1 178 . 1 1 25 25 GLY CA C 13 46.801 0.01 . 1 . . . A 25 GLY CA . 18463 1 179 . 1 1 26 26 TYR H H 1 8.932 0.01 . 1 . . . A 26 TYR H . 18463 1 180 . 1 1 26 26 TYR HA H 1 4.774 0.01 . 1 . . . A 26 TYR HA . 18463 1 181 . 1 1 26 26 TYR HB2 H 1 2.965 0.01 . 2 . . . A 26 TYR HB2 . 18463 1 182 . 1 1 26 26 TYR HB3 H 1 3.101 0.01 . 2 . . . A 26 TYR HB3 . 18463 1 183 . 1 1 26 26 TYR HD2 H 1 6.847 0.01 . 3 . . . A 26 TYR HD2 . 18463 1 184 . 1 1 26 26 TYR HE2 H 1 6.635 0.01 . 3 . . . A 26 TYR HE2 . 18463 1 185 . 1 1 26 26 TYR CB C 13 39.721 0.01 . 1 . . . A 26 TYR CB . 18463 1 186 . 1 1 26 26 TYR CD2 C 13 134.059 0.01 . 3 . . . A 26 TYR CD2 . 18463 1 187 . 1 1 27 27 CYS H H 1 8.753 0.01 . 1 . . . A 27 CYS H . 18463 1 188 . 1 1 27 27 CYS HA H 1 5.188 0.01 . 1 . . . A 27 CYS HA . 18463 1 189 . 1 1 27 27 CYS HB2 H 1 2.812 0.01 . 2 . . . A 27 CYS HB2 . 18463 1 190 . 1 1 27 27 CYS HB3 H 1 4.054 0.01 . 2 . . . A 27 CYS HB3 . 18463 1 191 . 1 1 27 27 CYS CA C 13 52.852 0.01 . 1 . . . A 27 CYS CA . 18463 1 192 . 1 1 27 27 CYS CB C 13 37.300 0.01 . 1 . . . A 27 CYS CB . 18463 1 193 . 1 1 28 28 ALA H H 1 9.122 0.01 . 1 . . . A 28 ALA H . 18463 1 194 . 1 1 28 28 ALA HA H 1 4.654 0.01 . 1 . . . A 28 ALA HA . 18463 1 195 . 1 1 28 28 ALA HB1 H 1 1.530 0.01 . 1 . . . A 28 ALA HB1 . 18463 1 196 . 1 1 28 28 ALA HB2 H 1 1.530 0.01 . 1 . . . A 28 ALA HB2 . 18463 1 197 . 1 1 28 28 ALA HB3 H 1 1.530 0.01 . 1 . . . A 28 ALA HB3 . 18463 1 198 . 1 1 28 28 ALA CA C 13 50.603 0.01 . 1 . . . A 28 ALA CA . 18463 1 199 . 1 1 28 28 ALA CB C 13 20.758 0.01 . 1 . . . A 28 ALA CB . 18463 1 200 . 1 1 29 29 GLY H H 1 8.548 0.01 . 1 . . . A 29 GLY H . 18463 1 201 . 1 1 29 29 GLY HA2 H 1 3.920 0.01 . 2 . . . A 29 GLY HA2 . 18463 1 202 . 1 1 29 29 GLY HA3 H 1 4.558 0.01 . 2 . . . A 29 GLY HA3 . 18463 1 203 . 1 1 29 29 GLY CA C 13 44.708 0.01 . 1 . . . A 29 GLY CA . 18463 1 204 . 1 1 30 30 PRO HA H 1 4.348 0.01 . 1 . . . A 30 PRO HA . 18463 1 205 . 1 1 30 30 PRO HB2 H 1 0.863 0.01 . 2 . . . A 30 PRO HB2 . 18463 1 206 . 1 1 30 30 PRO HB3 H 1 1.749 0.01 . 2 . . . A 30 PRO HB3 . 18463 1 207 . 1 1 30 30 PRO HG2 H 1 1.878 0.01 . 2 . . . A 30 PRO HG2 . 18463 1 208 . 1 1 30 30 PRO HG3 H 1 1.975 0.01 . 2 . . . A 30 PRO HG3 . 18463 1 209 . 1 1 30 30 PRO HD2 H 1 3.251 0.01 . 2 . . . A 30 PRO HD2 . 18463 1 210 . 1 1 30 30 PRO HD3 H 1 3.709 0.01 . 2 . . . A 30 PRO HD3 . 18463 1 211 . 1 1 30 30 PRO CB C 13 31.840 0.01 . 1 . . . A 30 PRO CB . 18463 1 212 . 1 1 30 30 PRO CG C 13 27.659 0.01 . 1 . . . A 30 PRO CG . 18463 1 213 . 1 1 30 30 PRO CD C 13 49.658 0.01 . 1 . . . A 30 PRO CD . 18463 1 214 . 1 1 31 31 TRP H H 1 9.002 0.01 . 1 . . . A 31 TRP H . 18463 1 215 . 1 1 31 31 TRP HA H 1 4.800 0.01 . 1 . . . A 31 TRP HA . 18463 1 216 . 1 1 31 31 TRP HB2 H 1 3.386 0.01 . 2 . . . A 31 TRP HB2 . 18463 1 217 . 1 1 31 31 TRP HB3 H 1 3.442 0.01 . 2 . . . A 31 TRP HB3 . 18463 1 218 . 1 1 31 31 TRP HD1 H 1 7.570 0.01 . 1 . . . A 31 TRP HD1 . 18463 1 219 . 1 1 31 31 TRP HE1 H 1 10.546 0.01 . 1 . . . A 31 TRP HE1 . 18463 1 220 . 1 1 31 31 TRP CB C 13 27.706 0.01 . 1 . . . A 31 TRP CB . 18463 1 221 . 1 1 31 31 TRP CD1 C 13 127.764 0.01 . 1 . . . A 31 TRP CD1 . 18463 1 222 . 1 1 31 31 TRP NE1 N 15 131.415 0.01 . 1 . . . A 31 TRP NE1 . 18463 1 223 . 1 1 32 32 TYR H H 1 6.367 0.01 . 1 . . . A 32 TYR H . 18463 1 224 . 1 1 32 32 TYR HA H 1 3.882 0.01 . 1 . . . A 32 TYR HA . 18463 1 225 . 1 1 32 32 TYR HB2 H 1 1.378 0.01 . 2 . . . A 32 TYR HB2 . 18463 1 226 . 1 1 32 32 TYR HB3 H 1 2.825 0.01 . 2 . . . A 32 TYR HB3 . 18463 1 227 . 1 1 32 32 TYR HD1 H 1 6.455 0.01 . 3 . . . A 32 TYR HD1 . 18463 1 228 . 1 1 32 32 TYR HE1 H 1 6.773 0.01 . 3 . . . A 32 TYR HE1 . 18463 1 229 . 1 1 32 32 TYR CA C 13 58.010 0.01 . 1 . . . A 32 TYR CA . 18463 1 230 . 1 1 32 32 TYR CB C 13 35.410 0.01 . 1 . . . A 32 TYR CB . 18463 1 231 . 1 1 32 32 TYR CD1 C 13 133.109 0.01 . 3 . . . A 32 TYR CD1 . 18463 1 232 . 1 1 32 32 TYR CE1 C 13 120.169 0.01 . 3 . . . A 32 TYR CE1 . 18463 1 233 . 1 1 33 33 LEU HA H 1 4.450 0.01 . 1 . . . A 33 LEU HA . 18463 1 234 . 1 1 33 33 LEU HB2 H 1 1.090 0.01 . 2 . . . A 33 LEU HB2 . 18463 1 235 . 1 1 33 33 LEU HB3 H 1 1.660 0.01 . 2 . . . A 33 LEU HB3 . 18463 1 236 . 1 1 33 33 LEU HG H 1 0.948 0.01 . 1 . . . A 33 LEU HG . 18463 1 237 . 1 1 33 33 LEU HD11 H 1 0.788 0.01 . 2 . . . A 33 LEU HD11 . 18463 1 238 . 1 1 33 33 LEU HD12 H 1 0.788 0.01 . 2 . . . A 33 LEU HD12 . 18463 1 239 . 1 1 33 33 LEU HD13 H 1 0.788 0.01 . 2 . . . A 33 LEU HD13 . 18463 1 240 . 1 1 33 33 LEU HD21 H 1 0.824 0.01 . 2 . . . A 33 LEU HD21 . 18463 1 241 . 1 1 33 33 LEU HD22 H 1 0.824 0.01 . 2 . . . A 33 LEU HD22 . 18463 1 242 . 1 1 33 33 LEU HD23 H 1 0.824 0.01 . 2 . . . A 33 LEU HD23 . 18463 1 243 . 1 1 33 33 LEU CA C 13 53.688 0.01 . 1 . . . A 33 LEU CA . 18463 1 244 . 1 1 33 33 LEU CB C 13 42.778 0.01 . 1 . . . A 33 LEU CB . 18463 1 245 . 1 1 33 33 LEU CG C 13 26.162 0.01 . 1 . . . A 33 LEU CG . 18463 1 246 . 1 1 33 33 LEU CD1 C 13 25.266 0.01 . 2 . . . A 33 LEU CD1 . 18463 1 247 . 1 1 33 33 LEU CD2 C 13 21.934 0.01 . 2 . . . A 33 LEU CD2 . 18463 1 248 . 1 1 34 34 GLY H H 1 7.632 0.01 . 1 . . . A 34 GLY H . 18463 1 249 . 1 1 34 34 GLY HA2 H 1 3.527 0.01 . 2 . . . A 34 GLY HA2 . 18463 1 250 . 1 1 34 34 GLY HA3 H 1 3.852 0.01 . 2 . . . A 34 GLY HA3 . 18463 1 251 . 1 1 34 34 GLY CA C 13 45.810 0.01 . 1 . . . A 34 GLY CA . 18463 1 252 . 1 1 35 35 HIS H H 1 7.334 0.01 . 1 . . . A 35 HIS H . 18463 1 253 . 1 1 35 35 HIS HA H 1 3.705 0.01 . 1 . . . A 35 HIS HA . 18463 1 254 . 1 1 35 35 HIS HB2 H 1 2.527 0.01 . 2 . . . A 35 HIS HB2 . 18463 1 255 . 1 1 35 35 HIS HB3 H 1 3.871 0.01 . 2 . . . A 35 HIS HB3 . 18463 1 256 . 1 1 35 35 HIS HD2 H 1 7.460 0.01 . 1 . . . A 35 HIS HD2 . 18463 1 257 . 1 1 35 35 HIS HE1 H 1 8.776 0.01 . 1 . . . A 35 HIS HE1 . 18463 1 258 . 1 1 35 35 HIS CB C 13 25.764 0.01 . 1 . . . A 35 HIS CB . 18463 1 259 . 1 1 35 35 HIS CD2 C 13 120.248 0.01 . 1 . . . A 35 HIS CD2 . 18463 1 260 . 1 1 35 35 HIS CE1 C 13 136.571 0.01 . 1 . . . A 35 HIS CE1 . 18463 1 261 . 1 1 36 36 PRO HA H 1 3.874 0.01 . 1 . . . A 36 PRO HA . 18463 1 262 . 1 1 36 36 PRO HB2 H 1 1.883 0.01 . 2 . . . A 36 PRO HB2 . 18463 1 263 . 1 1 36 36 PRO HB3 H 1 2.106 0.01 . 2 . . . A 36 PRO HB3 . 18463 1 264 . 1 1 36 36 PRO HG2 H 1 1.983 0.01 . 2 . . . A 36 PRO HG2 . 18463 1 265 . 1 1 36 36 PRO HD2 H 1 3.215 0.01 . 2 . . . A 36 PRO HD2 . 18463 1 266 . 1 1 36 36 PRO HD3 H 1 3.506 0.01 . 2 . . . A 36 PRO HD3 . 18463 1 267 . 1 1 36 36 PRO CA C 13 64.072 0.01 . 1 . . . A 36 PRO CA . 18463 1 268 . 1 1 36 36 PRO CD C 13 49.345 0.01 . 1 . . . A 36 PRO CD . 18463 1 269 . 1 1 37 37 THR H H 1 8.185 0.01 . 1 . . . A 37 THR H . 18463 1 270 . 1 1 37 37 THR HA H 1 4.356 0.01 . 1 . . . A 37 THR HA . 18463 1 271 . 1 1 37 37 THR HB H 1 3.542 0.01 . 1 . . . A 37 THR HB . 18463 1 272 . 1 1 37 37 THR HG21 H 1 1.043 0.01 . 1 . . . A 37 THR HG21 . 18463 1 273 . 1 1 37 37 THR HG22 H 1 1.043 0.01 . 1 . . . A 37 THR HG22 . 18463 1 274 . 1 1 37 37 THR HG23 H 1 1.043 0.01 . 1 . . . A 37 THR HG23 . 18463 1 275 . 1 1 37 37 THR CB C 13 69.525 0.01 . 1 . . . A 37 THR CB . 18463 1 276 . 1 1 37 37 THR CG2 C 13 22.264 0.01 . 1 . . . A 37 THR CG2 . 18463 1 277 . 1 1 38 38 CYS H H 1 9.046 0.01 . 1 . . . A 38 CYS H . 18463 1 278 . 1 1 38 38 CYS HA H 1 5.026 0.01 . 1 . . . A 38 CYS HA . 18463 1 279 . 1 1 38 38 CYS HB2 H 1 2.591 0.01 . 2 . . . A 38 CYS HB2 . 18463 1 280 . 1 1 38 38 CYS HB3 H 1 3.363 0.01 . 2 . . . A 38 CYS HB3 . 18463 1 281 . 1 1 38 38 CYS CA C 13 57.050 0.01 . 1 . . . A 38 CYS CA . 18463 1 282 . 1 1 38 38 CYS CB C 13 34.921 0.01 . 1 . . . A 38 CYS CB . 18463 1 283 . 1 1 39 39 THR H H 1 9.272 0.01 . 1 . . . A 39 THR H . 18463 1 284 . 1 1 39 39 THR HA H 1 4.277 0.01 . 1 . . . A 39 THR HA . 18463 1 285 . 1 1 39 39 THR HB H 1 3.017 0.01 . 1 . . . A 39 THR HB . 18463 1 286 . 1 1 39 39 THR HG21 H 1 1.053 0.01 . 1 . . . A 39 THR HG21 . 18463 1 287 . 1 1 39 39 THR HG22 H 1 1.053 0.01 . 1 . . . A 39 THR HG22 . 18463 1 288 . 1 1 39 39 THR HG23 H 1 1.053 0.01 . 1 . . . A 39 THR HG23 . 18463 1 289 . 1 1 39 39 THR CB C 13 70.474 0.01 . 1 . . . A 39 THR CB . 18463 1 290 . 1 1 39 39 THR CG2 C 13 20.339 0.01 . 1 . . . A 39 THR CG2 . 18463 1 291 . 1 1 40 40 CYS H H 1 8.658 0.01 . 1 . . . A 40 CYS H . 18463 1 292 . 1 1 40 40 CYS HA H 1 5.467 0.01 . 1 . . . A 40 CYS HA . 18463 1 293 . 1 1 40 40 CYS HB2 H 1 2.716 0.01 . 2 . . . A 40 CYS HB2 . 18463 1 294 . 1 1 40 40 CYS HB3 H 1 2.781 0.01 . 2 . . . A 40 CYS HB3 . 18463 1 295 . 1 1 40 40 CYS CA C 13 52.065 0.01 . 1 . . . A 40 CYS CA . 18463 1 296 . 1 1 40 40 CYS CB C 13 35.086 0.01 . 1 . . . A 40 CYS CB . 18463 1 297 . 1 1 41 41 SER H H 1 8.680 0.01 . 1 . . . A 41 SER H . 18463 1 298 . 1 1 41 41 SER HA H 1 4.771 0.01 . 1 . . . A 41 SER HA . 18463 1 299 . 1 1 41 41 SER HB2 H 1 3.726 0.01 . 2 . . . A 41 SER HB2 . 18463 1 300 . 1 1 41 41 SER CB C 13 66.158 0.01 . 1 . . . A 41 SER CB . 18463 1 301 . 1 1 42 42 PHE H H 1 8.448 0.01 . 1 . . . A 42 PHE H . 18463 1 302 . 1 1 42 42 PHE HA H 1 4.628 0.01 . 1 . . . A 42 PHE HA . 18463 1 303 . 1 1 42 42 PHE HB2 H 1 2.730 0.01 . 2 . . . A 42 PHE HB2 . 18463 1 304 . 1 1 42 42 PHE HD1 H 1 7.146 0.01 . 3 . . . A 42 PHE HD1 . 18463 1 305 . 1 1 42 42 PHE HE1 H 1 7.248 0.01 . 3 . . . A 42 PHE HE1 . 18463 1 306 . 1 1 42 42 PHE HZ H 1 7.060 0.01 . 1 . . . A 42 PHE HZ . 18463 1 307 . 1 1 42 42 PHE CA C 13 59.252 0.01 . 1 . . . A 42 PHE CA . 18463 1 308 . 1 1 42 42 PHE CE1 C 13 131.400 0.01 . 3 . . . A 42 PHE CE1 . 18463 1 309 . 1 1 42 42 PHE CZ C 13 129.126 0.01 . 1 . . . A 42 PHE CZ . 18463 1 stop_ save_