################################### # 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 18766 _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-13C HSQC' . . . 18766 1 2 '2D 1H-1H TOCSY' . . . 18766 1 3 '2D 1H-1H NOESY' . . . 18766 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 ILE HA H 1 3.927 0.01 . 1 . . . A 1 ILE HA . 18766 1 2 . 1 1 1 1 ILE HB H 1 1.986 0.01 . 1 . . . A 1 ILE HB . 18766 1 3 . 1 1 1 1 ILE HG12 H 1 1.502 0.01 . 2 . . . A 1 ILE HG12 . 18766 1 4 . 1 1 1 1 ILE HG13 H 1 1.246 0.01 . 2 . . . A 1 ILE HG13 . 18766 1 5 . 1 1 1 1 ILE HG21 H 1 1.002 0.01 . 1 . . . A 1 ILE HG21 . 18766 1 6 . 1 1 1 1 ILE HG22 H 1 1.002 0.01 . 1 . . . A 1 ILE HG22 . 18766 1 7 . 1 1 1 1 ILE HG23 H 1 1.002 0.01 . 1 . . . A 1 ILE HG23 . 18766 1 8 . 1 1 1 1 ILE HD11 H 1 0.925 0.01 . 1 . . . A 1 ILE HD11 . 18766 1 9 . 1 1 1 1 ILE HD12 H 1 0.925 0.01 . 1 . . . A 1 ILE HD12 . 18766 1 10 . 1 1 1 1 ILE HD13 H 1 0.925 0.01 . 1 . . . A 1 ILE HD13 . 18766 1 11 . 1 1 1 1 ILE CA C 13 59.931 0.1 . 1 . . . A 1 ILE CA . 18766 1 12 . 1 1 1 1 ILE CB C 13 38.458 0.1 . 1 . . . A 1 ILE CB . 18766 1 13 . 1 1 1 1 ILE CG1 C 13 26.107 0.1 . 1 . . . A 1 ILE CG1 . 18766 1 14 . 1 1 1 1 ILE CG2 C 13 16.074 0.1 . 1 . . . A 1 ILE CG2 . 18766 1 15 . 1 1 1 1 ILE CD1 C 13 12.584 0.1 . 1 . . . A 1 ILE CD1 . 18766 1 16 . 1 1 2 2 SER H H 1 8.641 0.01 . 1 . . . A 2 SER H . 18766 1 17 . 1 1 2 2 SER HA H 1 4.613 0.01 . 1 . . . A 2 SER HA . 18766 1 18 . 1 1 2 2 SER HB2 H 1 3.846 0.01 . 1 . . . A 2 SER HB2 . 18766 1 19 . 1 1 2 2 SER HB3 H 1 3.846 0.01 . 1 . . . A 2 SER HB3 . 18766 1 20 . 1 1 2 2 SER CA C 13 57.815 0.1 . 1 . . . A 2 SER CA . 18766 1 21 . 1 1 2 2 SER CB C 13 63.213 0.1 . 1 . . . A 2 SER CB . 18766 1 22 . 1 1 3 3 ILE H H 1 8.297 0.01 . 1 . . . A 3 ILE H . 18766 1 23 . 1 1 3 3 ILE HA H 1 4.245 0.01 . 1 . . . A 3 ILE HA . 18766 1 24 . 1 1 3 3 ILE HB H 1 1.878 0.01 . 1 . . . A 3 ILE HB . 18766 1 25 . 1 1 3 3 ILE HG12 H 1 1.429 0.01 . 2 . . . A 3 ILE HG12 . 18766 1 26 . 1 1 3 3 ILE HG13 H 1 1.167 0.01 . 2 . . . A 3 ILE HG13 . 18766 1 27 . 1 1 3 3 ILE HG21 H 1 0.897 0.01 . 1 . . . A 3 ILE HG21 . 18766 1 28 . 1 1 3 3 ILE HG22 H 1 0.897 0.01 . 1 . . . A 3 ILE HG22 . 18766 1 29 . 1 1 3 3 ILE HG23 H 1 0.897 0.01 . 1 . . . A 3 ILE HG23 . 18766 1 30 . 1 1 3 3 ILE HD11 H 1 0.851 0.01 . 1 . . . A 3 ILE HD11 . 18766 1 31 . 1 1 3 3 ILE HD12 H 1 0.851 0.01 . 1 . . . A 3 ILE HD12 . 18766 1 32 . 1 1 3 3 ILE HD13 H 1 0.851 0.01 . 1 . . . A 3 ILE HD13 . 18766 1 33 . 1 1 3 3 ILE CA C 13 60.112 0.1 . 1 . . . A 3 ILE CA . 18766 1 34 . 1 1 3 3 ILE CB C 13 38.386 0.1 . 1 . . . A 3 ILE CB . 18766 1 35 . 1 1 3 3 ILE CG1 C 13 26.358 0.1 . 1 . . . A 3 ILE CG1 . 18766 1 36 . 1 1 3 3 ILE CG2 C 13 16.872 0.1 . 1 . . . A 3 ILE CG2 . 18766 1 37 . 1 1 3 3 ILE CD1 C 13 12.352 0.1 . 1 . . . A 3 ILE CD1 . 18766 1 38 . 1 1 4 4 ASP H H 1 8.392 0.01 . 1 . . . A 4 ASP H . 18766 1 39 . 1 1 4 4 ASP HA H 1 4.906 0.01 . 1 . . . A 4 ASP HA . 18766 1 40 . 1 1 4 4 ASP HB2 H 1 2.653 0.01 . 2 . . . A 4 ASP HB2 . 18766 1 41 . 1 1 4 4 ASP HB3 H 1 2.479 0.01 . 2 . . . A 4 ASP HB3 . 18766 1 42 . 1 1 4 4 ASP CA C 13 51.791 0.1 . 1 . . . A 4 ASP CA . 18766 1 43 . 1 1 4 4 ASP CB C 13 39.326 0.1 . 1 . . . A 4 ASP CB . 18766 1 44 . 1 1 5 5 PRO HA H 1 4.695 0.01 . 1 . . . A 5 PRO HA . 18766 1 45 . 1 1 5 5 PRO HB2 H 1 1.910 0.01 . 2 . . . A 5 PRO HB2 . 18766 1 46 . 1 1 5 5 PRO HB3 H 1 2.361 0.01 . 2 . . . A 5 PRO HB3 . 18766 1 47 . 1 1 5 5 PRO HG2 H 1 2.033 0.01 . 1 . . . A 5 PRO HG2 . 18766 1 48 . 1 1 5 5 PRO HG3 H 1 2.033 0.01 . 1 . . . A 5 PRO HG3 . 18766 1 49 . 1 1 5 5 PRO HD2 H 1 3.887 0.01 . 2 . . . A 5 PRO HD2 . 18766 1 50 . 1 1 5 5 PRO HD3 H 1 3.651 0.01 . 2 . . . A 5 PRO HD3 . 18766 1 51 . 1 1 5 5 PRO CB C 13 30.108 0.1 . 1 . . . A 5 PRO CB . 18766 1 52 . 1 1 5 5 PRO CG C 13 26.627 0.1 . 1 . . . A 5 PRO CG . 18766 1 53 . 1 1 5 5 PRO CD C 13 49.976 0.1 . 1 . . . A 5 PRO CD . 18766 1 54 . 1 1 6 6 PRO HA H 1 4.480 0.01 . 1 . . . A 6 PRO HA . 18766 1 55 . 1 1 6 6 PRO HB2 H 1 2.352 0.01 . 2 . . . A 6 PRO HB2 . 18766 1 56 . 1 1 6 6 PRO HB3 H 1 1.976 0.01 . 2 . . . A 6 PRO HB3 . 18766 1 57 . 1 1 6 6 PRO HG2 H 1 2.047 0.01 . 1 . . . A 6 PRO HG2 . 18766 1 58 . 1 1 6 6 PRO HG3 H 1 2.047 0.01 . 1 . . . A 6 PRO HG3 . 18766 1 59 . 1 1 6 6 PRO HD2 H 1 3.814 0.01 . 2 . . . A 6 PRO HD2 . 18766 1 60 . 1 1 6 6 PRO HD3 H 1 3.645 0.01 . 2 . . . A 6 PRO HD3 . 18766 1 61 . 1 1 6 6 PRO CA C 13 62.336 0.1 . 1 . . . A 6 PRO CA . 18766 1 62 . 1 1 6 6 PRO CB C 13 31.657 0.1 . 1 . . . A 6 PRO CB . 18766 1 63 . 1 1 6 6 PRO CG C 13 26.647 0.1 . 1 . . . A 6 PRO CG . 18766 1 64 . 1 1 6 6 PRO CD C 13 49.740 0.1 . 1 . . . A 6 PRO CD . 18766 1 65 . 1 1 7 7 CYS H H 1 8.431 0.01 . 1 . . . A 7 CYS H . 18766 1 66 . 1 1 7 7 CYS HA H 1 4.705 0.01 . 1 . . . A 7 CYS HA . 18766 1 67 . 1 1 7 7 CYS HB2 H 1 3.158 0.01 . 2 . . . A 7 CYS HB2 . 18766 1 68 . 1 1 7 7 CYS HB3 H 1 2.589 0.01 . 2 . . . A 7 CYS HB3 . 18766 1 69 . 1 1 7 7 CYS CB C 13 39.087 0.1 . 1 . . . A 7 CYS CB . 18766 1 70 . 1 1 8 8 ARG H H 1 8.371 0.01 . 1 . . . A 8 ARG H . 18766 1 71 . 1 1 8 8 ARG HA H 1 4.232 0.01 . 1 . . . A 8 ARG HA . 18766 1 72 . 1 1 8 8 ARG HB2 H 1 1.810 0.01 . 2 . . . A 8 ARG HB2 . 18766 1 73 . 1 1 8 8 ARG HB3 H 1 1.585 0.01 . 2 . . . A 8 ARG HB3 . 18766 1 74 . 1 1 8 8 ARG HG2 H 1 1.568 0.01 . 2 . . . A 8 ARG HG2 . 18766 1 75 . 1 1 8 8 ARG HG3 H 1 1.498 0.01 . 2 . . . A 8 ARG HG3 . 18766 1 76 . 1 1 8 8 ARG HD2 H 1 2.912 0.01 . 2 . . . A 8 ARG HD2 . 18766 1 77 . 1 1 8 8 ARG HD3 H 1 2.968 0.01 . 2 . . . A 8 ARG HD3 . 18766 1 78 . 1 1 8 8 ARG HE H 1 6.907 0.01 . 1 . . . A 8 ARG HE . 18766 1 79 . 1 1 8 8 ARG CA C 13 55.382 0.1 . 1 . . . A 8 ARG CA . 18766 1 80 . 1 1 8 8 ARG CB C 13 30.646 0.1 . 1 . . . A 8 ARG CB . 18766 1 81 . 1 1 8 8 ARG CG C 13 26.404 0.1 . 1 . . . A 8 ARG CG . 18766 1 82 . 1 1 8 8 ARG CD C 13 42.859 0.1 . 1 . . . A 8 ARG CD . 18766 1 83 . 1 1 9 9 PHE H H 1 8.304 0.01 . 1 . . . A 9 PHE H . 18766 1 84 . 1 1 9 9 PHE HA H 1 4.411 0.01 . 1 . . . A 9 PHE HA . 18766 1 85 . 1 1 9 9 PHE HB2 H 1 3.331 0.01 . 2 . . . A 9 PHE HB2 . 18766 1 86 . 1 1 9 9 PHE HB3 H 1 2.931 0.01 . 2 . . . A 9 PHE HB3 . 18766 1 87 . 1 1 9 9 PHE HD1 H 1 7.372 0.01 . 1 . . . A 9 PHE HD1 . 18766 1 88 . 1 1 9 9 PHE HD2 H 1 7.372 0.01 . 1 . . . A 9 PHE HD2 . 18766 1 89 . 1 1 9 9 PHE HE1 H 1 7.451 0.01 . 1 . . . A 9 PHE HE1 . 18766 1 90 . 1 1 9 9 PHE HE2 H 1 7.451 0.01 . 1 . . . A 9 PHE HE2 . 18766 1 91 . 1 1 9 9 PHE CA C 13 59.128 0.1 . 1 . . . A 9 PHE CA . 18766 1 92 . 1 1 9 9 PHE CB C 13 38.668 0.1 . 1 . . . A 9 PHE CB . 18766 1 93 . 1 1 9 9 PHE CD2 C 13 131.5 0.1 . 1 . . . A 9 PHE CD2 . 18766 1 94 . 1 1 9 9 PHE CE2 C 13 131.14 0.1 . 1 . . . A 9 PHE CE2 . 18766 1 95 . 1 1 10 10 CYS H H 1 8.564 0.01 . 1 . . . A 10 CYS H . 18766 1 96 . 1 1 10 10 CYS HA H 1 3.756 0.01 . 1 . . . A 10 CYS HA . 18766 1 97 . 1 1 10 10 CYS HB2 H 1 3.496 0.01 . 2 . . . A 10 CYS HB2 . 18766 1 98 . 1 1 10 10 CYS HB3 H 1 2.897 0.01 . 2 . . . A 10 CYS HB3 . 18766 1 99 . 1 1 10 10 CYS CA C 13 59.059 0.1 . 1 . . . A 10 CYS CA . 18766 1 100 . 1 1 10 10 CYS CB C 13 41.365 0.1 . 1 . . . A 10 CYS CB . 18766 1 101 . 1 1 11 11 TYR H H 1 8.239 0.01 . 1 . . . A 11 TYR H . 18766 1 102 . 1 1 11 11 TYR HA H 1 5.100 0.01 . 1 . . . A 11 TYR HA . 18766 1 103 . 1 1 11 11 TYR HB2 H 1 3.305 0.01 . 2 . . . A 11 TYR HB2 . 18766 1 104 . 1 1 11 11 TYR HB3 H 1 2.331 0.01 . 2 . . . A 11 TYR HB3 . 18766 1 105 . 1 1 11 11 TYR HD1 H 1 6.845 0.01 . 1 . . . A 11 TYR HD1 . 18766 1 106 . 1 1 11 11 TYR HD2 H 1 6.845 0.01 . 1 . . . A 11 TYR HD2 . 18766 1 107 . 1 1 11 11 TYR HE1 H 1 6.831 0.01 . 1 . . . A 11 TYR HE1 . 18766 1 108 . 1 1 11 11 TYR HE2 H 1 6.831 0.01 . 1 . . . A 11 TYR HE2 . 18766 1 109 . 1 1 11 11 TYR CA C 13 55.859 0.1 . 1 . . . A 11 TYR CA . 18766 1 110 . 1 1 11 11 TYR CB C 13 40.631 0.1 . 1 . . . A 11 TYR CB . 18766 1 111 . 1 1 11 11 TYR CD1 C 13 132.72 0.1 . 1 . . . A 11 TYR CD1 . 18766 1 112 . 1 1 11 11 TYR CE1 C 13 117.17 0.1 . 1 . . . A 11 TYR CE1 . 18766 1 113 . 1 1 12 12 HIS H H 1 9.283 0.01 . 1 . . . A 12 HIS H . 18766 1 114 . 1 1 12 12 HIS HA H 1 5.033 0.01 . 1 . . . A 12 HIS HA . 18766 1 115 . 1 1 12 12 HIS HB2 H 1 3.243 0.01 . 1 . . . A 12 HIS HB2 . 18766 1 116 . 1 1 12 12 HIS HB3 H 1 3.243 0.01 . 1 . . . A 12 HIS HB3 . 18766 1 117 . 1 1 12 12 HIS HD2 H 1 7.032 0.01 . 1 . . . A 12 HIS HD2 . 18766 1 118 . 1 1 12 12 HIS HE1 H 1 8.539 0.01 . 1 . . . A 12 HIS HE1 . 18766 1 119 . 1 1 12 12 HIS CA C 13 53.614 0.1 . 1 . . . A 12 HIS CA . 18766 1 120 . 1 1 12 12 HIS CB C 13 30.712 0.1 . 1 . . . A 12 HIS CB . 18766 1 121 . 1 1 12 12 HIS CD2 C 13 119.31 0.1 . 1 . . . A 12 HIS CD2 . 18766 1 122 . 1 1 12 12 HIS CE1 C 13 135.37 0.1 . 1 . . . A 12 HIS CE1 . 18766 1 123 . 1 1 13 13 ARG H H 1 8.941 0.01 . 1 . . . A 13 ARG H . 18766 1 124 . 1 1 13 13 ARG HA H 1 4.786 0.01 . 1 . . . A 13 ARG HA . 18766 1 125 . 1 1 13 13 ARG HB2 H 1 1.860 0.01 . 2 . . . A 13 ARG HB2 . 18766 1 126 . 1 1 13 13 ARG HB3 H 1 1.709 0.01 . 2 . . . A 13 ARG HB3 . 18766 1 127 . 1 1 13 13 ARG HG2 H 1 1.671 0.01 . 1 . . . A 13 ARG HG2 . 18766 1 128 . 1 1 13 13 ARG HG3 H 1 1.671 0.01 . 1 . . . A 13 ARG HG3 . 18766 1 129 . 1 1 13 13 ARG HD2 H 1 3.059 0.01 . 2 . . . A 13 ARG HD2 . 18766 1 130 . 1 1 13 13 ARG HD3 H 1 3.035 0.01 . 2 . . . A 13 ARG HD3 . 18766 1 131 . 1 1 13 13 ARG HE H 1 7.061 0.01 . 1 . . . A 13 ARG HE . 18766 1 132 . 1 1 13 13 ARG CA C 13 55.281 0.1 . 1 . . . A 13 ARG CA . 18766 1 133 . 1 1 13 13 ARG CB C 13 30.102 0.1 . 1 . . . A 13 ARG CB . 18766 1 134 . 1 1 13 13 ARG CG C 13 27.133 0.1 . 1 . . . A 13 ARG CG . 18766 1 135 . 1 1 13 13 ARG CD C 13 42.523 0.1 . 1 . . . A 13 ARG CD . 18766 1 136 . 1 1 14 14 ASP H H 1 8.831 0.01 . 1 . . . A 14 ASP H . 18766 1 137 . 1 1 14 14 ASP HA H 1 4.861 0.01 . 1 . . . A 14 ASP HA . 18766 1 138 . 1 1 14 14 ASP HB2 H 1 3.326 0.01 . 2 . . . A 14 ASP HB2 . 18766 1 139 . 1 1 14 14 ASP HB3 H 1 2.670 0.01 . 2 . . . A 14 ASP HB3 . 18766 1 140 . 1 1 14 14 ASP CA C 13 51.413 0.1 . 1 . . . A 14 ASP CA . 18766 1 141 . 1 1 14 14 ASP CB C 13 40.823 0.1 . 1 . . . A 14 ASP CB . 18766 1 142 . 1 1 15 15 GLY H H 1 8.668 0.01 . 1 . . . A 15 GLY H . 18766 1 143 . 1 1 15 15 GLY HA2 H 1 3.958 0.01 . 1 . . . A 15 GLY HA2 . 18766 1 144 . 1 1 15 15 GLY HA3 H 1 3.958 0.01 . 1 . . . A 15 GLY HA3 . 18766 1 145 . 1 1 15 15 GLY CA C 13 46.021 0.1 . 1 . . . A 15 GLY CA . 18766 1 146 . 1 1 16 16 SER H H 1 8.231 0.01 . 1 . . . A 16 SER H . 18766 1 147 . 1 1 16 16 SER HA H 1 4.614 0.01 . 1 . . . A 16 SER HA . 18766 1 148 . 1 1 16 16 SER HB2 H 1 3.993 0.01 . 1 . . . A 16 SER HB2 . 18766 1 149 . 1 1 16 16 SER HB3 H 1 3.993 0.01 . 1 . . . A 16 SER HB3 . 18766 1 150 . 1 1 16 16 SER CA C 13 57.346 0.1 . 1 . . . A 16 SER CA . 18766 1 151 . 1 1 16 16 SER CB C 13 63.633 0.1 . 1 . . . A 16 SER CB . 18766 1 152 . 1 1 17 17 GLY H H 1 8.096 0.01 . 1 . . . A 17 GLY H . 18766 1 153 . 1 1 17 17 GLY HA2 H 1 4.341 0.01 . 2 . . . A 17 GLY HA2 . 18766 1 154 . 1 1 17 17 GLY HA3 H 1 3.623 0.01 . 2 . . . A 17 GLY HA3 . 18766 1 155 . 1 1 17 17 GLY CA C 13 44.566 0.1 . 1 . . . A 17 GLY CA . 18766 1 156 . 1 1 18 18 ASN H H 1 8.317 0.01 . 1 . . . A 18 ASN H . 18766 1 157 . 1 1 18 18 ASN HA H 1 4.853 0.01 . 1 . . . A 18 ASN HA . 18766 1 158 . 1 1 18 18 ASN HB2 H 1 2.681 0.01 . 2 . . . A 18 ASN HB2 . 18766 1 159 . 1 1 18 18 ASN HB3 H 1 2.598 0.01 . 2 . . . A 18 ASN HB3 . 18766 1 160 . 1 1 18 18 ASN HD21 H 1 8.068 0.01 . 2 . . . A 18 ASN HD21 . 18766 1 161 . 1 1 18 18 ASN HD22 H 1 6.992 0.01 . 2 . . . A 18 ASN HD22 . 18766 1 162 . 1 1 18 18 ASN CA C 13 51.746 0.1 . 1 . . . A 18 ASN CA . 18766 1 163 . 1 1 18 18 ASN CB C 13 39.290 0.1 . 1 . . . A 18 ASN CB . 18766 1 164 . 1 1 19 19 CYS H H 1 8.872 0.01 . 1 . . . A 19 CYS H . 18766 1 165 . 1 1 19 19 CYS HA H 1 4.819 0.01 . 1 . . . A 19 CYS HA . 18766 1 166 . 1 1 19 19 CYS HB2 H 1 2.891 0.01 . 2 . . . A 19 CYS HB2 . 18766 1 167 . 1 1 19 19 CYS HB3 H 1 2.733 0.01 . 2 . . . A 19 CYS HB3 . 18766 1 168 . 1 1 19 19 CYS CB C 13 40.248 0.1 . 1 . . . A 19 CYS CB . 18766 1 169 . 1 1 20 20 VAL H H 1 9.428 0.01 . 1 . . . A 20 VAL H . 18766 1 170 . 1 1 20 20 VAL HA H 1 4.694 0.01 . 1 . . . A 20 VAL HA . 18766 1 171 . 1 1 20 20 VAL HB H 1 2.039 0.01 . 1 . . . A 20 VAL HB . 18766 1 172 . 1 1 20 20 VAL HG11 H 1 0.915 0.01 . 2 . . . A 20 VAL HG11 . 18766 1 173 . 1 1 20 20 VAL HG12 H 1 0.915 0.01 . 2 . . . A 20 VAL HG12 . 18766 1 174 . 1 1 20 20 VAL HG13 H 1 0.915 0.01 . 2 . . . A 20 VAL HG13 . 18766 1 175 . 1 1 20 20 VAL HG21 H 1 0.717 0.01 . 2 . . . A 20 VAL HG21 . 18766 1 176 . 1 1 20 20 VAL HG22 H 1 0.717 0.01 . 2 . . . A 20 VAL HG22 . 18766 1 177 . 1 1 20 20 VAL HG23 H 1 0.717 0.01 . 2 . . . A 20 VAL HG23 . 18766 1 178 . 1 1 20 20 VAL CB C 13 34.426 0.1 . 1 . . . A 20 VAL CB . 18766 1 179 . 1 1 20 20 VAL CG1 C 13 20.701 0.1 . 1 . . . A 20 VAL CG1 . 18766 1 180 . 1 1 20 20 VAL CG2 C 13 18.693 0.1 . 1 . . . A 20 VAL CG2 . 18766 1 181 . 1 1 21 21 TYR H H 1 8.524 0.01 . 1 . . . A 21 TYR H . 18766 1 182 . 1 1 21 21 TYR HA H 1 3.337 0.01 . 1 . . . A 21 TYR HA . 18766 1 183 . 1 1 21 21 TYR HB2 H 1 2.600 0.01 . 2 . . . A 21 TYR HB2 . 18766 1 184 . 1 1 21 21 TYR HB3 H 1 2.550 0.01 . 2 . . . A 21 TYR HB3 . 18766 1 185 . 1 1 21 21 TYR HD1 H 1 6.530 0.01 . 1 . . . A 21 TYR HD1 . 18766 1 186 . 1 1 21 21 TYR HD2 H 1 6.530 0.01 . 1 . . . A 21 TYR HD2 . 18766 1 187 . 1 1 21 21 TYR HE1 H 1 6.674 0.01 . 1 . . . A 21 TYR HE1 . 18766 1 188 . 1 1 21 21 TYR HE2 H 1 6.674 0.01 . 1 . . . A 21 TYR HE2 . 18766 1 189 . 1 1 21 21 TYR CA C 13 57.848 0.1 . 1 . . . A 21 TYR CA . 18766 1 190 . 1 1 21 21 TYR CB C 13 38.105 0.1 . 1 . . . A 21 TYR CB . 18766 1 191 . 1 1 21 21 TYR CD1 C 13 132.23 0.1 . 1 . . . A 21 TYR CD1 . 18766 1 192 . 1 1 21 21 TYR CE1 C 13 117.37 0.1 . 1 . . . A 21 TYR CE1 . 18766 1 193 . 1 1 22 22 ASP H H 1 7.968 0.01 . 1 . . . A 22 ASP H . 18766 1 194 . 1 1 22 22 ASP HA H 1 4.233 0.01 . 1 . . . A 22 ASP HA . 18766 1 195 . 1 1 22 22 ASP HB2 H 1 2.446 0.01 . 2 . . . A 22 ASP HB2 . 18766 1 196 . 1 1 22 22 ASP HB3 H 1 2.329 0.01 . 2 . . . A 22 ASP HB3 . 18766 1 197 . 1 1 22 22 ASP CA C 13 52.191 0.1 . 1 . . . A 22 ASP CA . 18766 1 198 . 1 1 22 22 ASP CB C 13 38.045 0.1 . 1 . . . A 22 ASP CB . 18766 1 199 . 1 1 23 23 ALA H H 1 7.706 0.01 . 1 . . . A 23 ALA H . 18766 1 200 . 1 1 23 23 ALA HA H 1 3.788 0.01 . 1 . . . A 23 ALA HA . 18766 1 201 . 1 1 23 23 ALA HB1 H 1 1.209 0.01 . 1 . . . A 23 ALA HB1 . 18766 1 202 . 1 1 23 23 ALA HB2 H 1 1.209 0.01 . 1 . . . A 23 ALA HB2 . 18766 1 203 . 1 1 23 23 ALA HB3 H 1 1.209 0.01 . 1 . . . A 23 ALA HB3 . 18766 1 204 . 1 1 23 23 ALA CA C 13 53.421 0.1 . 1 . . . A 23 ALA CA . 18766 1 205 . 1 1 23 23 ALA CB C 13 18.083 0.1 . 1 . . . A 23 ALA CB . 18766 1 206 . 1 1 24 24 TYR H H 1 7.843 0.01 . 1 . . . A 24 TYR H . 18766 1 207 . 1 1 24 24 TYR HA H 1 4.441 0.01 . 1 . . . A 24 TYR HA . 18766 1 208 . 1 1 24 24 TYR HB2 H 1 3.082 0.01 . 2 . . . A 24 TYR HB2 . 18766 1 209 . 1 1 24 24 TYR HB3 H 1 2.923 0.01 . 2 . . . A 24 TYR HB3 . 18766 1 210 . 1 1 24 24 TYR HD1 H 1 7.096 0.01 . 1 . . . A 24 TYR HD1 . 18766 1 211 . 1 1 24 24 TYR HD2 H 1 7.096 0.01 . 1 . . . A 24 TYR HD2 . 18766 1 212 . 1 1 24 24 TYR HE1 H 1 6.790 0.01 . 1 . . . A 24 TYR HE1 . 18766 1 213 . 1 1 24 24 TYR HE2 H 1 6.790 0.01 . 1 . . . A 24 TYR HE2 . 18766 1 214 . 1 1 24 24 TYR CA C 13 57.291 0.1 . 1 . . . A 24 TYR CA . 18766 1 215 . 1 1 24 24 TYR CB C 13 36.979 0.1 . 1 . . . A 24 TYR CB . 18766 1 216 . 1 1 24 24 TYR CD2 C 13 132.68 0.1 . 1 . . . A 24 TYR CD2 . 18766 1 217 . 1 1 24 24 TYR CE2 C 13 117.50 0.1 . 1 . . . A 24 TYR CE2 . 18766 1 218 . 1 1 25 25 GLY H H 1 7.747 0.01 . 1 . . . A 25 GLY H . 18766 1 219 . 1 1 25 25 GLY HA2 H 1 4.049 0.01 . 2 . . . A 25 GLY HA2 . 18766 1 220 . 1 1 25 25 GLY HA3 H 1 3.717 0.01 . 2 . . . A 25 GLY HA3 . 18766 1 221 . 1 1 25 25 GLY CA C 13 44.568 0.1 . 1 . . . A 25 GLY CA . 18766 1 222 . 1 1 26 26 CYS H H 1 8.091 0.01 . 1 . . . A 26 CYS H . 18766 1 223 . 1 1 26 26 CYS HA H 1 4.688 0.01 . 1 . . . A 26 CYS HA . 18766 1 224 . 1 1 26 26 CYS HB2 H 1 2.941 0.01 . 1 . . . A 26 CYS HB2 . 18766 1 225 . 1 1 26 26 CYS HB3 H 1 2.941 0.01 . 1 . . . A 26 CYS HB3 . 18766 1 226 . 1 1 26 26 CYS CB C 13 40.284 0.1 . 1 . . . A 26 CYS CB . 18766 1 227 . 1 1 27 27 GLY H H 1 8.546 0.01 . 1 . . . A 27 GLY H . 18766 1 228 . 1 1 27 27 GLY HA2 H 1 3.925 0.01 . 2 . . . A 27 GLY HA2 . 18766 1 229 . 1 1 27 27 GLY HA3 H 1 4.002 0.01 . 2 . . . A 27 GLY HA3 . 18766 1 230 . 1 1 27 27 GLY CA C 13 44.754 0.1 . 1 . . . A 27 GLY CA . 18766 1 231 . 1 1 28 28 ALA H H 1 8.016 0.01 . 1 . . . A 28 ALA H . 18766 1 232 . 1 1 28 28 ALA HA H 1 4.413 0.01 . 1 . . . A 28 ALA HA . 18766 1 233 . 1 1 28 28 ALA HB1 H 1 1.353 0.01 . 1 . . . A 28 ALA HB1 . 18766 1 234 . 1 1 28 28 ALA HB2 H 1 1.353 0.01 . 1 . . . A 28 ALA HB2 . 18766 1 235 . 1 1 28 28 ALA HB3 H 1 1.353 0.01 . 1 . . . A 28 ALA HB3 . 18766 1 236 . 1 1 28 28 ALA CA C 13 51.750 0.1 . 1 . . . A 28 ALA CA . 18766 1 237 . 1 1 28 28 ALA CB C 13 18.606 0.1 . 1 . . . A 28 ALA CB . 18766 1 238 . 1 1 29 29 VAL H H 1 7.697 0.01 . 1 . . . A 29 VAL H . 18766 1 239 . 1 1 29 29 VAL HA H 1 4.046 0.01 . 1 . . . A 29 VAL HA . 18766 1 240 . 1 1 29 29 VAL HB H 1 2.040 0.01 . 1 . . . A 29 VAL HB . 18766 1 241 . 1 1 29 29 VAL HG11 H 1 0.825 0.01 . 1 . . . A 29 VAL HG11 . 18766 1 242 . 1 1 29 29 VAL HG12 H 1 0.825 0.01 . 1 . . . A 29 VAL HG12 . 18766 1 243 . 1 1 29 29 VAL HG13 H 1 0.825 0.01 . 1 . . . A 29 VAL HG13 . 18766 1 244 . 1 1 29 29 VAL HG21 H 1 0.825 0.01 . 1 . . . A 29 VAL HG21 . 18766 1 245 . 1 1 29 29 VAL HG22 H 1 0.825 0.01 . 1 . . . A 29 VAL HG22 . 18766 1 246 . 1 1 29 29 VAL HG23 H 1 0.825 0.01 . 1 . . . A 29 VAL HG23 . 18766 1 247 . 1 1 29 29 VAL CA C 13 62.579 0.1 . 1 . . . A 29 VAL CA . 18766 1 248 . 1 1 29 29 VAL CB C 13 32.613 0.1 . 1 . . . A 29 VAL CB . 18766 1 249 . 1 1 29 29 VAL CG1 C 13 19.323 0.1 . 1 . . . A 29 VAL CG1 . 18766 1 250 . 1 1 29 29 VAL CG2 C 13 20.801 0.1 . 1 . . . A 29 VAL CG2 . 18766 1 stop_ save_