################################### # 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 18705 _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 4 '3D HNCO' . . . 18705 1 5 '3D HNCA' . . . 18705 1 6 '3D 1H-15N NOESY' . . . 18705 1 7 '3D 1H-13C NOESY' . . . 18705 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 ALA HA H 1 4.326 0.020 . 1 . . . A 1 ALA HA . 18705 1 2 . 1 1 1 1 ALA HB1 H 1 1.513 0.020 . 1 . . . A 1 ALA HB1 . 18705 1 3 . 1 1 1 1 ALA HB2 H 1 1.513 0.020 . 1 . . . A 1 ALA HB2 . 18705 1 4 . 1 1 1 1 ALA HB3 H 1 1.513 0.020 . 1 . . . A 1 ALA HB3 . 18705 1 5 . 1 1 1 1 ALA CA C 13 51.896 0.300 . 1 . . . A 1 ALA CA . 18705 1 6 . 1 1 1 1 ALA CB C 13 19.720 0.300 . 1 . . . A 1 ALA CB . 18705 1 7 . 1 1 2 2 THR H H 1 8.979 0.020 . 1 . . . A 2 THR H . 18705 1 8 . 1 1 2 2 THR HA H 1 4.398 0.020 . 1 . . . A 2 THR HA . 18705 1 9 . 1 1 2 2 THR HB H 1 4.030 0.020 . 1 . . . A 2 THR HB . 18705 1 10 . 1 1 2 2 THR HG21 H 1 1.140 0.020 . 1 . . . A 2 THR HG21 . 18705 1 11 . 1 1 2 2 THR HG22 H 1 1.140 0.020 . 1 . . . A 2 THR HG22 . 18705 1 12 . 1 1 2 2 THR HG23 H 1 1.140 0.020 . 1 . . . A 2 THR HG23 . 18705 1 13 . 1 1 2 2 THR CA C 13 62.489 0.300 . 1 . . . A 2 THR CA . 18705 1 14 . 1 1 2 2 THR CB C 13 70.031 0.300 . 1 . . . A 2 THR CB . 18705 1 15 . 1 1 2 2 THR CG2 C 13 21.341 0.300 . 1 . . . A 2 THR CG2 . 18705 1 16 . 1 1 2 2 THR N N 15 118.310 0.300 . 1 . . . A 2 THR N . 18705 1 17 . 1 1 3 3 CYS H H 1 8.541 0.020 . 1 . . . A 3 CYS H . 18705 1 18 . 1 1 3 3 CYS HA H 1 5.653 0.020 . 1 . . . A 3 CYS HA . 18705 1 19 . 1 1 3 3 CYS HB2 H 1 2.600 0.020 . 1 . . . A 3 CYS HB2 . 18705 1 20 . 1 1 3 3 CYS HB3 H 1 3.090 0.020 . 1 . . . A 3 CYS HB3 . 18705 1 21 . 1 1 3 3 CYS C C 13 172.018 0.300 . 1 . . . A 3 CYS C . 18705 1 22 . 1 1 3 3 CYS CA C 13 55.069 0.300 . 1 . . . A 3 CYS CA . 18705 1 23 . 1 1 3 3 CYS CB C 13 49.718 0.300 . 1 . . . A 3 CYS CB . 18705 1 24 . 1 1 3 3 CYS N N 15 123.108 0.300 . 1 . . . A 3 CYS N . 18705 1 25 . 1 1 4 4 TYR HA H 1 4.609 0.020 . 1 . . . A 4 TYR HA . 18705 1 26 . 1 1 4 4 TYR HB2 H 1 2.552 0.020 . 1 . . . A 4 TYR HB2 . 18705 1 27 . 1 1 4 4 TYR HB3 H 1 3.008 0.020 . 1 . . . A 4 TYR HB3 . 18705 1 28 . 1 1 4 4 TYR HD1 H 1 7.148 0.020 . 1 . . . A 4 TYR HD1 . 18705 1 29 . 1 1 4 4 TYR HD2 H 1 7.148 0.020 . 1 . . . A 4 TYR HD2 . 18705 1 30 . 1 1 4 4 TYR HE1 H 1 6.719 0.020 . 1 . . . A 4 TYR HE1 . 18705 1 31 . 1 1 4 4 TYR HE2 H 1 6.719 0.020 . 1 . . . A 4 TYR HE2 . 18705 1 32 . 1 1 4 4 TYR CA C 13 56.618 0.300 . 1 . . . A 4 TYR CA . 18705 1 33 . 1 1 4 4 TYR CB C 13 42.182 0.300 . 1 . . . A 4 TYR CB . 18705 1 34 . 1 1 5 5 CYS H H 1 9.195 0.020 . 1 . . . A 5 CYS H . 18705 1 35 . 1 1 5 5 CYS HA H 1 4.612 0.020 . 1 . . . A 5 CYS HA . 18705 1 36 . 1 1 5 5 CYS HB2 H 1 2.551 0.020 . 1 . . . A 5 CYS HB2 . 18705 1 37 . 1 1 5 5 CYS HB3 H 1 3.004 0.020 . 1 . . . A 5 CYS HB3 . 18705 1 38 . 1 1 5 5 CYS CA C 13 56.553 0.300 . 1 . . . A 5 CYS CA . 18705 1 39 . 1 1 5 5 CYS CB C 13 42.208 0.300 . 1 . . . A 5 CYS CB . 18705 1 40 . 1 1 5 5 CYS N N 15 119.803 0.300 . 1 . . . A 5 CYS N . 18705 1 41 . 1 1 6 6 ARG H H 1 8.999 0.020 . 1 . . . A 6 ARG H . 18705 1 42 . 1 1 6 6 ARG HA H 1 5.333 0.020 . 1 . . . A 6 ARG HA . 18705 1 43 . 1 1 6 6 ARG HB2 H 1 2.863 0.020 . 1 . . . A 6 ARG HB2 . 18705 1 44 . 1 1 6 6 ARG HB3 H 1 2.863 0.020 . 1 . . . A 6 ARG HB3 . 18705 1 45 . 1 1 6 6 ARG HG2 H 1 0.501 0.020 . 1 . . . A 6 ARG HG2 . 18705 1 46 . 1 1 6 6 ARG HG3 H 1 0.501 0.020 . 1 . . . A 6 ARG HG3 . 18705 1 47 . 1 1 6 6 ARG HD2 H 1 2.712 0.020 . 1 . . . A 6 ARG HD2 . 18705 1 48 . 1 1 6 6 ARG HD3 H 1 2.712 0.020 . 1 . . . A 6 ARG HD3 . 18705 1 49 . 1 1 6 6 ARG CA C 13 55.045 0.300 . 1 . . . A 6 ARG CA . 18705 1 50 . 1 1 6 6 ARG CB C 13 40.925 0.300 . 1 . . . A 6 ARG CB . 18705 1 51 . 1 1 6 6 ARG CG C 13 13.031 0.300 . 1 . . . A 6 ARG CG . 18705 1 52 . 1 1 6 6 ARG CD C 13 40.966 0.300 . 1 . . . A 6 ARG CD . 18705 1 53 . 1 1 6 6 ARG N N 15 123.484 0.300 . 1 . . . A 6 ARG N . 18705 1 54 . 1 1 7 7 THR H H 1 9.531 0.020 . 1 . . . A 7 THR H . 18705 1 55 . 1 1 7 7 THR HA H 1 4.917 0.020 . 1 . . . A 7 THR HA . 18705 1 56 . 1 1 7 7 THR HB H 1 4.867 0.020 . 1 . . . A 7 THR HB . 18705 1 57 . 1 1 7 7 THR HG21 H 1 1.798 0.020 . 1 . . . A 7 THR HG21 . 18705 1 58 . 1 1 7 7 THR HG22 H 1 1.798 0.020 . 1 . . . A 7 THR HG22 . 18705 1 59 . 1 1 7 7 THR HG23 H 1 1.798 0.020 . 1 . . . A 7 THR HG23 . 18705 1 60 . 1 1 7 7 THR CA C 13 62.395 0.300 . 1 . . . A 7 THR CA . 18705 1 61 . 1 1 7 7 THR CB C 13 71.434 0.300 . 1 . . . A 7 THR CB . 18705 1 62 . 1 1 7 7 THR CG2 C 13 32.493 0.300 . 1 . . . A 7 THR CG2 . 18705 1 63 . 1 1 7 7 THR N N 15 126.371 0.300 . 1 . . . A 7 THR N . 18705 1 64 . 1 1 8 8 GLY H H 1 8.004 0.020 . 1 . . . A 8 GLY H . 18705 1 65 . 1 1 8 8 GLY HA2 H 1 3.860 0.020 . 1 . . . A 8 GLY HA2 . 18705 1 66 . 1 1 8 8 GLY HA3 H 1 4.239 0.020 . 1 . . . A 8 GLY HA3 . 18705 1 67 . 1 1 8 8 GLY C C 13 172.685 0.300 . 1 . . . A 8 GLY C . 18705 1 68 . 1 1 8 8 GLY CA C 13 44.809 0.300 . 1 . . . A 8 GLY CA . 18705 1 69 . 1 1 8 8 GLY N N 15 112.530 0.300 . 1 . . . A 8 GLY N . 18705 1 70 . 1 1 9 9 ARG H H 1 8.183 0.020 . 1 . . . A 9 ARG H . 18705 1 71 . 1 1 9 9 ARG HA H 1 4.283 0.020 . 1 . . . A 9 ARG HA . 18705 1 72 . 1 1 9 9 ARG HB2 H 1 1.987 0.020 . 1 . . . A 9 ARG HB2 . 18705 1 73 . 1 1 9 9 ARG HB3 H 1 1.987 0.020 . 1 . . . A 9 ARG HB3 . 18705 1 74 . 1 1 9 9 ARG HG2 H 1 1.789 0.020 . 1 . . . A 9 ARG HG2 . 18705 1 75 . 1 1 9 9 ARG HG3 H 1 1.789 0.020 . 1 . . . A 9 ARG HG3 . 18705 1 76 . 1 1 9 9 ARG HD2 H 1 3.346 0.020 . 1 . . . A 9 ARG HD2 . 18705 1 77 . 1 1 9 9 ARG HD3 H 1 3.346 0.020 . 1 . . . A 9 ARG HD3 . 18705 1 78 . 1 1 9 9 ARG C C 13 176.627 0.300 . 1 . . . A 9 ARG C . 18705 1 79 . 1 1 9 9 ARG CA C 13 55.748 0.300 . 1 . . . A 9 ARG CA . 18705 1 80 . 1 1 9 9 ARG CB C 13 31.418 0.300 . 1 . . . A 9 ARG CB . 18705 1 81 . 1 1 9 9 ARG CG C 13 31.374 0.300 . 1 . . . A 9 ARG CG . 18705 1 82 . 1 1 9 9 ARG CD C 13 43.461 0.300 . 1 . . . A 9 ARG CD . 18705 1 83 . 1 1 9 9 ARG N N 15 119.486 0.300 . 1 . . . A 9 ARG N . 18705 1 84 . 1 1 10 10 CYS H H 1 8.595 0.020 . 1 . . . A 10 CYS H . 18705 1 85 . 1 1 10 10 CYS HA H 1 4.874 0.020 . 1 . . . A 10 CYS HA . 18705 1 86 . 1 1 10 10 CYS HB2 H 1 2.788 0.020 . 1 . . . A 10 CYS HB2 . 18705 1 87 . 1 1 10 10 CYS HB3 H 1 3.543 0.020 . 1 . . . A 10 CYS HB3 . 18705 1 88 . 1 1 10 10 CYS C C 13 174.788 0.300 . 1 . . . A 10 CYS C . 18705 1 89 . 1 1 10 10 CYS CA C 13 52.737 0.300 . 1 . . . A 10 CYS CA . 18705 1 90 . 1 1 10 10 CYS CB C 13 35.343 0.300 . 1 . . . A 10 CYS CB . 18705 1 91 . 1 1 10 10 CYS N N 15 116.919 0.300 . 1 . . . A 10 CYS N . 18705 1 92 . 1 1 11 11 ALA H H 1 8.590 0.020 . 1 . . . A 11 ALA H . 18705 1 93 . 1 1 11 11 ALA HA H 1 4.433 0.020 . 1 . . . A 11 ALA HA . 18705 1 94 . 1 1 11 11 ALA HB1 H 1 1.331 0.020 . 1 . . . A 11 ALA HB1 . 18705 1 95 . 1 1 11 11 ALA HB2 H 1 1.331 0.020 . 1 . . . A 11 ALA HB2 . 18705 1 96 . 1 1 11 11 ALA HB3 H 1 1.331 0.020 . 1 . . . A 11 ALA HB3 . 18705 1 97 . 1 1 11 11 ALA C C 13 177.552 0.300 . 1 . . . A 11 ALA C . 18705 1 98 . 1 1 11 11 ALA CA C 13 51.381 0.300 . 1 . . . A 11 ALA CA . 18705 1 99 . 1 1 11 11 ALA CB C 13 19.400 0.300 . 1 . . . A 11 ALA CB . 18705 1 100 . 1 1 11 11 ALA N N 15 124.805 0.300 . 1 . . . A 11 ALA N . 18705 1 101 . 1 1 12 12 THR H H 1 8.238 0.020 . 1 . . . A 12 THR H . 18705 1 102 . 1 1 12 12 THR HA H 1 4.002 0.020 . 1 . . . A 12 THR HA . 18705 1 103 . 1 1 12 12 THR HB H 1 4.107 0.020 . 1 . . . A 12 THR HB . 18705 1 104 . 1 1 12 12 THR HG21 H 1 1.330 0.020 . 1 . . . A 12 THR HG21 . 18705 1 105 . 1 1 12 12 THR HG22 H 1 1.330 0.020 . 1 . . . A 12 THR HG22 . 18705 1 106 . 1 1 12 12 THR HG23 H 1 1.330 0.020 . 1 . . . A 12 THR HG23 . 18705 1 107 . 1 1 12 12 THR C C 13 174.815 0.300 . 1 . . . A 12 THR C . 18705 1 108 . 1 1 12 12 THR CA C 13 65.118 0.300 . 1 . . . A 12 THR CA . 18705 1 109 . 1 1 12 12 THR CB C 13 68.792 0.300 . 1 . . . A 12 THR CB . 18705 1 110 . 1 1 12 12 THR CG2 C 13 21.930 0.300 . 1 . . . A 12 THR CG2 . 18705 1 111 . 1 1 12 12 THR N N 15 114.885 0.300 . 1 . . . A 12 THR N . 18705 1 112 . 1 1 13 13 ARG H H 1 8.518 0.020 . 1 . . . A 13 ARG H . 18705 1 113 . 1 1 13 13 ARG HA H 1 4.148 0.020 . 1 . . . A 13 ARG HA . 18705 1 114 . 1 1 13 13 ARG HB3 H 1 2.089 0.020 . 1 . . . A 13 ARG HB3 . 18705 1 115 . 1 1 13 13 ARG HG3 H 1 1.682 0.020 . 1 . . . A 13 ARG HG3 . 18705 1 116 . 1 1 13 13 ARG HD3 H 1 3.244 0.020 . 1 . . . A 13 ARG HD3 . 18705 1 117 . 1 1 13 13 ARG C C 13 175.566 0.300 . 1 . . . A 13 ARG C . 18705 1 118 . 1 1 13 13 ARG CA C 13 57.592 0.300 . 1 . . . A 13 ARG CA . 18705 1 119 . 1 1 13 13 ARG CB C 13 28.486 0.300 . 1 . . . A 13 ARG CB . 18705 1 120 . 1 1 13 13 ARG CG C 13 28.065 0.300 . 1 . . . A 13 ARG CG . 18705 1 121 . 1 1 13 13 ARG CD C 13 43.463 0.300 . 1 . . . A 13 ARG CD . 18705 1 122 . 1 1 13 13 ARG N N 15 116.842 0.300 . 1 . . . A 13 ARG N . 18705 1 123 . 1 1 14 14 GLU H H 1 7.855 0.020 . 1 . . . A 14 GLU H . 18705 1 124 . 1 1 14 14 GLU HA H 1 4.686 0.020 . 1 . . . A 14 GLU HA . 18705 1 125 . 1 1 14 14 GLU HB2 H 1 1.697 0.020 . 1 . . . A 14 GLU HB2 . 18705 1 126 . 1 1 14 14 GLU HB3 H 1 1.697 0.020 . 1 . . . A 14 GLU HB3 . 18705 1 127 . 1 1 14 14 GLU HG2 H 1 2.438 0.020 . 1 . . . A 14 GLU HG2 . 18705 1 128 . 1 1 14 14 GLU HG3 H 1 2.438 0.020 . 1 . . . A 14 GLU HG3 . 18705 1 129 . 1 1 14 14 GLU C C 13 176.183 0.300 . 1 . . . A 14 GLU C . 18705 1 130 . 1 1 14 14 GLU CA C 13 54.645 0.300 . 1 . . . A 14 GLU CA . 18705 1 131 . 1 1 14 14 GLU CB C 13 32.073 0.300 . 1 . . . A 14 GLU CB . 18705 1 132 . 1 1 14 14 GLU CG C 13 32.225 0.300 . 1 . . . A 14 GLU CG . 18705 1 133 . 1 1 14 14 GLU N N 15 117.264 0.300 . 1 . . . A 14 GLU N . 18705 1 134 . 1 1 15 15 SER H H 1 9.273 0.020 . 1 . . . A 15 SER H . 18705 1 135 . 1 1 15 15 SER HA H 1 4.807 0.020 . 1 . . . A 15 SER HA . 18705 1 136 . 1 1 15 15 SER HB2 H 1 3.741 0.020 . 1 . . . A 15 SER HB2 . 18705 1 137 . 1 1 15 15 SER HB3 H 1 3.808 0.020 . 1 . . . A 15 SER HB3 . 18705 1 138 . 1 1 15 15 SER C C 13 174.427 0.300 . 1 . . . A 15 SER C . 18705 1 139 . 1 1 15 15 SER CA C 13 56.875 0.300 . 1 . . . A 15 SER CA . 18705 1 140 . 1 1 15 15 SER CB C 13 65.036 0.300 . 1 . . . A 15 SER CB . 18705 1 141 . 1 1 15 15 SER N N 15 114.972 0.300 . 1 . . . A 15 SER N . 18705 1 142 . 1 1 16 16 LEU H H 1 9.076 0.020 . 1 . . . A 16 LEU H . 18705 1 143 . 1 1 16 16 LEU HA H 1 4.791 0.020 . 1 . . . A 16 LEU HA . 18705 1 144 . 1 1 16 16 LEU HB2 H 1 2.005 0.020 . 1 . . . A 16 LEU HB2 . 18705 1 145 . 1 1 16 16 LEU HB3 H 1 2.005 0.020 . 1 . . . A 16 LEU HB3 . 18705 1 146 . 1 1 16 16 LEU HG H 1 1.631 0.020 . 1 . . . A 16 LEU HG . 18705 1 147 . 1 1 16 16 LEU HD11 H 1 1.203 0.020 . 1 . . . A 16 LEU HD11 . 18705 1 148 . 1 1 16 16 LEU HD12 H 1 1.203 0.020 . 1 . . . A 16 LEU HD12 . 18705 1 149 . 1 1 16 16 LEU HD13 H 1 1.203 0.020 . 1 . . . A 16 LEU HD13 . 18705 1 150 . 1 1 16 16 LEU HD21 H 1 1.051 0.020 . 1 . . . A 16 LEU HD21 . 18705 1 151 . 1 1 16 16 LEU HD22 H 1 1.051 0.020 . 1 . . . A 16 LEU HD22 . 18705 1 152 . 1 1 16 16 LEU HD23 H 1 1.051 0.020 . 1 . . . A 16 LEU HD23 . 18705 1 153 . 1 1 16 16 LEU C C 13 177.525 0.300 . 1 . . . A 16 LEU C . 18705 1 154 . 1 1 16 16 LEU CA C 13 56.384 0.300 . 1 . . . A 16 LEU CA . 18705 1 155 . 1 1 16 16 LEU CB C 13 41.437 0.300 . 1 . . . A 16 LEU CB . 18705 1 156 . 1 1 16 16 LEU CG C 13 41.331 0.300 . 1 . . . A 16 LEU CG . 18705 1 157 . 1 1 16 16 LEU CD1 C 13 24.384 0.300 . 1 . . . A 16 LEU CD1 . 18705 1 158 . 1 1 16 16 LEU CD2 C 13 21.600 0.300 . 1 . . . A 16 LEU CD2 . 18705 1 159 . 1 1 16 16 LEU N N 15 129.724 0.300 . 1 . . . A 16 LEU N . 18705 1 160 . 1 1 17 17 SER H H 1 9.387 0.020 . 1 . . . A 17 SER H . 18705 1 161 . 1 1 17 17 SER HA H 1 4.877 0.020 . 1 . . . A 17 SER HA . 18705 1 162 . 1 1 17 17 SER HB2 H 1 3.502 0.020 . 1 . . . A 17 SER HB2 . 18705 1 163 . 1 1 17 17 SER HB3 H 1 3.984 0.020 . 1 . . . A 17 SER HB3 . 18705 1 164 . 1 1 17 17 SER CA C 13 58.092 0.300 . 1 . . . A 17 SER CA . 18705 1 165 . 1 1 17 17 SER CB C 13 65.350 0.300 . 1 . . . A 17 SER CB . 18705 1 166 . 1 1 17 17 SER N N 15 123.451 0.300 . 1 . . . A 17 SER N . 18705 1 167 . 1 1 18 18 GLY H H 1 7.608 0.020 . 1 . . . A 18 GLY H . 18705 1 168 . 1 1 18 18 GLY HA2 H 1 4.077 0.020 . 1 . . . A 18 GLY HA2 . 18705 1 169 . 1 1 18 18 GLY HA3 H 1 4.532 0.020 . 1 . . . A 18 GLY HA3 . 18705 1 170 . 1 1 18 18 GLY CA C 13 44.935 0.300 . 1 . . . A 18 GLY CA . 18705 1 171 . 1 1 18 18 GLY N N 15 107.233 0.300 . 1 . . . A 18 GLY N . 18705 1 172 . 1 1 19 19 VAL H H 1 8.692 0.020 . 1 . . . A 19 VAL H . 18705 1 173 . 1 1 19 19 VAL HA H 1 5.065 0.020 . 1 . . . A 19 VAL HA . 18705 1 174 . 1 1 19 19 VAL HB H 1 2.204 0.020 . 1 . . . A 19 VAL HB . 18705 1 175 . 1 1 19 19 VAL HG11 H 1 1.068 0.020 . 1 . . . A 19 VAL HG11 . 18705 1 176 . 1 1 19 19 VAL HG12 H 1 1.068 0.020 . 1 . . . A 19 VAL HG12 . 18705 1 177 . 1 1 19 19 VAL HG13 H 1 1.068 0.020 . 1 . . . A 19 VAL HG13 . 18705 1 178 . 1 1 19 19 VAL HG21 H 1 0.955 0.020 . 1 . . . A 19 VAL HG21 . 18705 1 179 . 1 1 19 19 VAL HG22 H 1 0.955 0.020 . 1 . . . A 19 VAL HG22 . 18705 1 180 . 1 1 19 19 VAL HG23 H 1 0.955 0.020 . 1 . . . A 19 VAL HG23 . 18705 1 181 . 1 1 19 19 VAL CA C 13 60.314 0.300 . 1 . . . A 19 VAL CA . 18705 1 182 . 1 1 19 19 VAL CB C 13 35.289 0.300 . 1 . . . A 19 VAL CB . 18705 1 183 . 1 1 19 19 VAL CG1 C 13 25.633 0.300 . 1 . . . A 19 VAL CG1 . 18705 1 184 . 1 1 19 19 VAL CG2 C 13 19.388 0.300 . 1 . . . A 19 VAL CG2 . 18705 1 185 . 1 1 19 19 VAL N N 15 118.833 0.300 . 1 . . . A 19 VAL N . 18705 1 186 . 1 1 20 20 CYS H H 1 8.133 0.020 . 1 . . . A 20 CYS H . 18705 1 187 . 1 1 20 20 CYS HA H 1 4.892 0.020 . 1 . . . A 20 CYS HA . 18705 1 188 . 1 1 20 20 CYS HB2 H 1 1.409 0.020 . 1 . . . A 20 CYS HB2 . 18705 1 189 . 1 1 20 20 CYS HB3 H 1 1.661 0.020 . 1 . . . A 20 CYS HB3 . 18705 1 190 . 1 1 20 20 CYS C C 13 176.328 0.300 . 1 . . . A 20 CYS C . 18705 1 191 . 1 1 20 20 CYS CA C 13 54.476 0.300 . 1 . . . A 20 CYS CA . 18705 1 192 . 1 1 20 20 CYS CB C 13 43.178 0.300 . 1 . . . A 20 CYS CB . 18705 1 193 . 1 1 20 20 CYS N N 15 121.714 0.300 . 1 . . . A 20 CYS N . 18705 1 194 . 1 1 22 22 ILE H H 1 8.865 0.020 . 1 . . . A 22 ILE H . 18705 1 195 . 1 1 22 22 ILE HA H 1 4.341 0.020 . 1 . . . A 22 ILE HA . 18705 1 196 . 1 1 22 22 ILE HB H 1 1.830 0.020 . 1 . . . A 22 ILE HB . 18705 1 197 . 1 1 22 22 ILE HG12 H 1 0.798 0.020 . 1 . . . A 22 ILE HG12 . 18705 1 198 . 1 1 22 22 ILE HG13 H 1 0.798 0.020 . 1 . . . A 22 ILE HG13 . 18705 1 199 . 1 1 22 22 ILE HG21 H 1 0.946 0.020 . 1 . . . A 22 ILE HG21 . 18705 1 200 . 1 1 22 22 ILE HG22 H 1 0.946 0.020 . 1 . . . A 22 ILE HG22 . 18705 1 201 . 1 1 22 22 ILE HG23 H 1 0.946 0.020 . 1 . . . A 22 ILE HG23 . 18705 1 202 . 1 1 22 22 ILE HD11 H 1 0.503 0.020 . 1 . . . A 22 ILE HD11 . 18705 1 203 . 1 1 22 22 ILE HD12 H 1 0.503 0.020 . 1 . . . A 22 ILE HD12 . 18705 1 204 . 1 1 22 22 ILE HD13 H 1 0.503 0.020 . 1 . . . A 22 ILE HD13 . 18705 1 205 . 1 1 22 22 ILE C C 13 176.380 0.300 . 1 . . . A 22 ILE C . 18705 1 206 . 1 1 22 22 ILE CA C 13 61.260 0.300 . 1 . . . A 22 ILE CA . 18705 1 207 . 1 1 22 22 ILE CB C 13 40.877 0.300 . 1 . . . A 22 ILE CB . 18705 1 208 . 1 1 22 22 ILE CG1 C 13 23.473 0.300 . 1 . . . A 22 ILE CG1 . 18705 1 209 . 1 1 22 22 ILE CG2 C 13 17.053 0.300 . 1 . . . A 22 ILE CG2 . 18705 1 210 . 1 1 22 22 ILE CD1 C 13 12.848 0.300 . 1 . . . A 22 ILE CD1 . 18705 1 211 . 1 1 22 22 ILE N N 15 124.351 0.300 . 1 . . . A 22 ILE N . 18705 1 212 . 1 1 23 23 SER H H 1 9.633 0.020 . 1 . . . A 23 SER H . 18705 1 213 . 1 1 23 23 SER HA H 1 4.108 0.020 . 1 . . . A 23 SER HA . 18705 1 214 . 1 1 23 23 SER HB2 H 1 3.927 0.020 . 1 . . . A 23 SER HB2 . 18705 1 215 . 1 1 23 23 SER HB3 H 1 4.256 0.020 . 1 . . . A 23 SER HB3 . 18705 1 216 . 1 1 23 23 SER CA C 13 58.444 0.300 . 1 . . . A 23 SER CA . 18705 1 217 . 1 1 23 23 SER CB C 13 62.226 0.300 . 1 . . . A 23 SER CB . 18705 1 218 . 1 1 23 23 SER N N 15 124.886 0.300 . 1 . . . A 23 SER N . 18705 1 219 . 1 1 24 24 GLY H H 1 8.635 0.020 . 1 . . . A 24 GLY H . 18705 1 220 . 1 1 24 24 GLY HA2 H 1 3.698 0.020 . 1 . . . A 24 GLY HA2 . 18705 1 221 . 1 1 24 24 GLY HA3 H 1 4.182 0.020 . 1 . . . A 24 GLY HA3 . 18705 1 222 . 1 1 24 24 GLY C C 13 173.429 0.300 . 1 . . . A 24 GLY C . 18705 1 223 . 1 1 24 24 GLY CA C 13 45.233 0.300 . 1 . . . A 24 GLY CA . 18705 1 224 . 1 1 24 24 GLY N N 15 104.151 0.300 . 1 . . . A 24 GLY N . 18705 1 225 . 1 1 25 25 ARG H H 1 7.969 0.020 . 1 . . . A 25 ARG H . 18705 1 226 . 1 1 25 25 ARG HA H 1 4.580 0.020 . 1 . . . A 25 ARG HA . 18705 1 227 . 1 1 25 25 ARG HB2 H 1 1.884 0.020 . 1 . . . A 25 ARG HB2 . 18705 1 228 . 1 1 25 25 ARG HB3 H 1 1.884 0.020 . 1 . . . A 25 ARG HB3 . 18705 1 229 . 1 1 25 25 ARG HG2 H 1 1.500 0.020 . 1 . . . A 25 ARG HG2 . 18705 1 230 . 1 1 25 25 ARG HG3 H 1 1.680 0.020 . 1 . . . A 25 ARG HG3 . 18705 1 231 . 1 1 25 25 ARG HD2 H 1 3.239 0.020 . 1 . . . A 25 ARG HD2 . 18705 1 232 . 1 1 25 25 ARG HD3 H 1 3.239 0.020 . 1 . . . A 25 ARG HD3 . 18705 1 233 . 1 1 25 25 ARG HE H 1 7.132 0.020 . 1 . . . A 25 ARG HE . 18705 1 234 . 1 1 25 25 ARG C C 13 174.701 0.300 . 1 . . . A 25 ARG C . 18705 1 235 . 1 1 25 25 ARG CA C 13 54.268 0.300 . 1 . . . A 25 ARG CA . 18705 1 236 . 1 1 25 25 ARG CB C 13 32.556 0.300 . 1 . . . A 25 ARG CB . 18705 1 237 . 1 1 25 25 ARG CG C 13 27.523 0.300 . 1 . . . A 25 ARG CG . 18705 1 238 . 1 1 25 25 ARG CD C 13 43.268 0.300 . 1 . . . A 25 ARG CD . 18705 1 239 . 1 1 25 25 ARG N N 15 121.072 0.300 . 1 . . . A 25 ARG N . 18705 1 240 . 1 1 26 26 LEU H H 1 8.161 0.020 . 1 . . . A 26 LEU H . 18705 1 241 . 1 1 26 26 LEU HA H 1 4.799 0.020 . 1 . . . A 26 LEU HA . 18705 1 242 . 1 1 26 26 LEU HB2 H 1 1.522 0.020 . 1 . . . A 26 LEU HB2 . 18705 1 243 . 1 1 26 26 LEU HB3 H 1 1.522 0.020 . 1 . . . A 26 LEU HB3 . 18705 1 244 . 1 1 26 26 LEU HG H 1 1.368 0.020 . 1 . . . A 26 LEU HG . 18705 1 245 . 1 1 26 26 LEU HD11 H 1 0.923 0.020 . 1 . . . A 26 LEU HD11 . 18705 1 246 . 1 1 26 26 LEU HD12 H 1 0.923 0.020 . 1 . . . A 26 LEU HD12 . 18705 1 247 . 1 1 26 26 LEU HD13 H 1 0.923 0.020 . 1 . . . A 26 LEU HD13 . 18705 1 248 . 1 1 26 26 LEU HD21 H 1 0.923 0.020 . 1 . . . A 26 LEU HD21 . 18705 1 249 . 1 1 26 26 LEU HD22 H 1 0.923 0.020 . 1 . . . A 26 LEU HD22 . 18705 1 250 . 1 1 26 26 LEU HD23 H 1 0.923 0.020 . 1 . . . A 26 LEU HD23 . 18705 1 251 . 1 1 26 26 LEU CA C 13 55.937 0.300 . 1 . . . A 26 LEU CA . 18705 1 252 . 1 1 26 26 LEU CB C 13 42.847 0.300 . 1 . . . A 26 LEU CB . 18705 1 253 . 1 1 26 26 LEU CG C 13 26.909 0.300 . 1 . . . A 26 LEU CG . 18705 1 254 . 1 1 26 26 LEU CD1 C 13 24.744 0.300 . 1 . . . A 26 LEU CD1 . 18705 1 255 . 1 1 26 26 LEU N N 15 124.251 0.300 . 1 . . . A 26 LEU N . 18705 1 256 . 1 1 27 27 TYR H H 1 9.173 0.020 . 1 . . . A 27 TYR H . 18705 1 257 . 1 1 27 27 TYR HA H 1 4.786 0.020 . 1 . . . A 27 TYR HA . 18705 1 258 . 1 1 27 27 TYR HB2 H 1 2.502 0.020 . 1 . . . A 27 TYR HB2 . 18705 1 259 . 1 1 27 27 TYR HB3 H 1 3.338 0.020 . 1 . . . A 27 TYR HB3 . 18705 1 260 . 1 1 27 27 TYR HD1 H 1 6.971 0.020 . 1 . . . A 27 TYR HD1 . 18705 1 261 . 1 1 27 27 TYR HD2 H 1 6.971 0.020 . 1 . . . A 27 TYR HD2 . 18705 1 262 . 1 1 27 27 TYR HE1 H 1 6.838 0.020 . 1 . . . A 27 TYR HE1 . 18705 1 263 . 1 1 27 27 TYR HE2 H 1 6.838 0.020 . 1 . . . A 27 TYR HE2 . 18705 1 264 . 1 1 27 27 TYR CA C 13 54.099 0.300 . 1 . . . A 27 TYR CA . 18705 1 265 . 1 1 27 27 TYR CB C 13 40.954 0.300 . 1 . . . A 27 TYR CB . 18705 1 266 . 1 1 27 27 TYR N N 15 122.809 0.300 . 1 . . . A 27 TYR N . 18705 1 267 . 1 1 29 29 LEU HA H 1 4.612 0.020 . 1 . . . A 29 LEU HA . 18705 1 268 . 1 1 29 29 LEU HB2 H 1 1.519 0.020 . 1 . . . A 29 LEU HB2 . 18705 1 269 . 1 1 29 29 LEU HB3 H 1 1.519 0.020 . 1 . . . A 29 LEU HB3 . 18705 1 270 . 1 1 29 29 LEU HG H 1 1.334 0.020 . 1 . . . A 29 LEU HG . 18705 1 271 . 1 1 29 29 LEU HD11 H 1 0.761 0.020 . 1 . . . A 29 LEU HD11 . 18705 1 272 . 1 1 29 29 LEU HD12 H 1 0.761 0.020 . 1 . . . A 29 LEU HD12 . 18705 1 273 . 1 1 29 29 LEU HD13 H 1 0.761 0.020 . 1 . . . A 29 LEU HD13 . 18705 1 274 . 1 1 29 29 LEU HD21 H 1 0.761 0.020 . 1 . . . A 29 LEU HD21 . 18705 1 275 . 1 1 29 29 LEU HD22 H 1 0.761 0.020 . 1 . . . A 29 LEU HD22 . 18705 1 276 . 1 1 29 29 LEU HD23 H 1 0.761 0.020 . 1 . . . A 29 LEU HD23 . 18705 1 277 . 1 1 29 29 LEU CB C 13 42.860 0.300 . 1 . . . A 29 LEU CB . 18705 1 278 . 1 1 30 30 CYS H H 1 9.020 0.020 . 1 . . . A 30 CYS H . 18705 1 279 . 1 1 30 30 CYS HA H 1 5.442 0.020 . 1 . . . A 30 CYS HA . 18705 1 280 . 1 1 30 30 CYS HB2 H 1 2.862 0.020 . 1 . . . A 30 CYS HB2 . 18705 1 281 . 1 1 30 30 CYS HB3 H 1 3.444 0.020 . 1 . . . A 30 CYS HB3 . 18705 1 282 . 1 1 30 30 CYS CA C 13 53.458 0.300 . 1 . . . A 30 CYS CA . 18705 1 283 . 1 1 30 30 CYS CB C 13 43.152 0.300 . 1 . . . A 30 CYS CB . 18705 1 284 . 1 1 30 30 CYS N N 15 127.797 0.300 . 1 . . . A 30 CYS N . 18705 1 285 . 1 1 31 31 CYS H H 1 9.049 0.020 . 1 . . . A 31 CYS H . 18705 1 286 . 1 1 31 31 CYS HA H 1 5.767 0.020 . 1 . . . A 31 CYS HA . 18705 1 287 . 1 1 31 31 CYS HB2 H 1 2.957 0.020 . 1 . . . A 31 CYS HB2 . 18705 1 288 . 1 1 31 31 CYS HB3 H 1 3.111 0.020 . 1 . . . A 31 CYS HB3 . 18705 1 289 . 1 1 31 31 CYS C C 13 173.200 0.300 . 1 . . . A 31 CYS C . 18705 1 290 . 1 1 31 31 CYS CA C 13 55.684 0.300 . 1 . . . A 31 CYS CA . 18705 1 291 . 1 1 31 31 CYS CB C 13 49.066 0.300 . 1 . . . A 31 CYS CB . 18705 1 292 . 1 1 31 31 CYS N N 15 120.526 0.300 . 1 . . . A 31 CYS N . 18705 1 293 . 1 1 32 32 ARG H H 1 8.969 0.020 . 1 . . . A 32 ARG H . 18705 1 294 . 1 1 32 32 ARG HA H 1 4.586 0.020 . 1 . . . A 32 ARG HA . 18705 1 295 . 1 1 32 32 ARG HG2 H 1 1.817 0.020 . 1 . . . A 32 ARG HG2 . 18705 1 296 . 1 1 32 32 ARG HG3 H 1 1.817 0.020 . 1 . . . A 32 ARG HG3 . 18705 1 297 . 1 1 32 32 ARG HD2 H 1 3.281 0.020 . 1 . . . A 32 ARG HD2 . 18705 1 298 . 1 1 32 32 ARG HD3 H 1 3.281 0.020 . 1 . . . A 32 ARG HD3 . 18705 1 299 . 1 1 32 32 ARG C C 13 179.595 0.300 . 1 . . . A 32 ARG C . 18705 1 300 . 1 1 32 32 ARG CA C 13 57.317 0.300 . 1 . . . A 32 ARG CA . 18705 1 301 . 1 1 32 32 ARG CB C 13 32.511 0.300 . 1 . . . A 32 ARG CB . 18705 1 302 . 1 1 32 32 ARG CG C 13 27.216 0.300 . 1 . . . A 32 ARG CG . 18705 1 303 . 1 1 32 32 ARG CD C 13 43.725 0.300 . 1 . . . A 32 ARG CD . 18705 1 304 . 1 1 32 32 ARG N N 15 126.371 0.300 . 1 . . . A 32 ARG N . 18705 1 stop_ save_