################################### # 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 16907 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $pH_7.4 _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' . . . 16907 1 2 '2D 1H-13C HSQC' . . . 16907 1 3 '2D 1H-1H NOESY' . . . 16907 1 4 '3D HNCO' . . . 16907 1 5 '3D HNCA' . . . 16907 1 6 '3D HN(CO)CA' . . . 16907 1 7 '3D 1H-15N NOESY' . . . 16907 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 3.177 . . 2 . . . . 1 G HA2 . 16907 1 2 . 1 1 1 1 GLY HA3 H 1 3.897 . . 2 . . . . 1 G HA3 . 16907 1 3 . 1 1 1 1 GLY CA C 13 43.529 . . 1 . . . . 1 G CA . 16907 1 4 . 1 1 2 2 LEU HA H 1 4.248 . . 1 . . . . 2 L HA . 16907 1 5 . 1 1 2 2 LEU HB2 H 1 1.844 . . 2 . . . . 2 L HB2 . 16907 1 6 . 1 1 2 2 LEU HB3 H 1 1.757 . . 2 . . . . 2 L HB3 . 16907 1 7 . 1 1 2 2 LEU HD11 H 1 1.032 . . 2 . . . . 2 L HD1 . 16907 1 8 . 1 1 2 2 LEU HD12 H 1 1.032 . . 2 . . . . 2 L HD1 . 16907 1 9 . 1 1 2 2 LEU HD13 H 1 1.032 . . 2 . . . . 2 L HD1 . 16907 1 10 . 1 1 2 2 LEU HD21 H 1 0.938 . . 2 . . . . 2 L HD2 . 16907 1 11 . 1 1 2 2 LEU HD22 H 1 0.938 . . 2 . . . . 2 L HD2 . 16907 1 12 . 1 1 2 2 LEU HD23 H 1 0.938 . . 2 . . . . 2 L HD2 . 16907 1 13 . 1 1 2 2 LEU HG H 1 1.617 . . 1 . . . . 2 L HG . 16907 1 14 . 1 1 2 2 LEU C C 13 177.626 . . 1 . . . . 2 L C . 16907 1 15 . 1 1 2 2 LEU CA C 13 59.413 . . 1 . . . . 2 L CA . 16907 1 16 . 1 1 2 2 LEU CB C 13 42.557 . . 1 . . . . 2 L CB . 16907 1 17 . 1 1 2 2 LEU CD1 C 13 24.068 . . 2 . . . . 2 L CD1 . 16907 1 18 . 1 1 2 2 LEU CD2 C 13 26.109 . . 2 . . . . 2 L CD2 . 16907 1 19 . 1 1 2 2 LEU CG C 13 27.452 . . 1 . . . . 2 L CG . 16907 1 20 . 1 1 3 3 PHE H H 1 9.005 . . 1 . . . . 3 F HN . 16907 1 21 . 1 1 3 3 PHE HA H 1 4.247 . . 1 . . . . 3 F HA . 16907 1 22 . 1 1 3 3 PHE HB2 H 1 3.181 . . 2 . . . . 3 F HB . 16907 1 23 . 1 1 3 3 PHE HB3 H 1 3.181 . . 2 . . . . 3 F HB . 16907 1 24 . 1 1 3 3 PHE HD1 H 1 7.291 . . 3 . . . . 3 F HD . 16907 1 25 . 1 1 3 3 PHE HD2 H 1 7.291 . . 3 . . . . 3 F HD . 16907 1 26 . 1 1 3 3 PHE HE1 H 1 7.314 . . 3 . . . . 3 F HE . 16907 1 27 . 1 1 3 3 PHE HE2 H 1 7.314 . . 3 . . . . 3 F HE . 16907 1 28 . 1 1 3 3 PHE HZ H 1 7.252 . . 1 . . . . 3 F HZ . 16907 1 29 . 1 1 3 3 PHE C C 13 179.193 . . 1 . . . . 3 F C . 16907 1 30 . 1 1 3 3 PHE CA C 13 61.694 . . 1 . . . . 3 F CA . 16907 1 31 . 1 1 3 3 PHE CB C 13 37.754 . . 1 . . . . 3 F CB . 16907 1 32 . 1 1 3 3 PHE N N 15 117.641 . . 1 . . . . 3 F N . 16907 1 33 . 1 1 4 4 GLY H H 1 8.778 . . 1 . . . . 4 G HN . 16907 1 34 . 1 1 4 4 GLY HA2 H 1 3.824 . . 2 . . . . 4 G HA . 16907 1 35 . 1 1 4 4 GLY HA3 H 1 3.824 . . 2 . . . . 4 G HA . 16907 1 36 . 1 1 4 4 GLY C C 13 177.492 . . 1 . . . . 4 G C . 16907 1 37 . 1 1 4 4 GLY CA C 13 46.540 . . 1 . . . . 4 G CA . 16907 1 38 . 1 1 4 4 GLY N N 15 107.331 . . 1 . . . . 4 G N . 16907 1 39 . 1 1 5 5 ALA H H 1 8.536 . . 1 . . . . 5 A HN . 16907 1 40 . 1 1 5 5 ALA HA H 1 4.676 . . 1 . . . . 5 A HA . 16907 1 41 . 1 1 5 5 ALA HB1 H 1 1.727 . . 1 . . . . 5 A HB . 16907 1 42 . 1 1 5 5 ALA HB2 H 1 1.727 . . 1 . . . . 5 A HB . 16907 1 43 . 1 1 5 5 ALA HB3 H 1 1.727 . . 1 . . . . 5 A HB . 16907 1 44 . 1 1 5 5 ALA C C 13 179.009 . . 1 . . . . 5 A C . 16907 1 45 . 1 1 5 5 ALA CA C 13 55.069 . . 1 . . . . 5 A CA . 16907 1 46 . 1 1 5 5 ALA CB C 13 19.562 . . 1 . . . . 5 A CB . 16907 1 47 . 1 1 5 5 ALA N N 15 126.443 . . 1 . . . . 5 A N . 16907 1 48 . 1 1 6 6 ILE H H 1 7.964 . . 1 . . . . 6 I HN . 16907 1 49 . 1 1 6 6 ILE HA H 1 3.671 . . 1 . . . . 6 I HA . 16907 1 50 . 1 1 6 6 ILE HB H 1 1.942 . . 1 . . . . 6 I HB . 16907 1 51 . 1 1 6 6 ILE HD11 H 1 0.823 . . 1 . . . . 6 I HD1 . 16907 1 52 . 1 1 6 6 ILE HD12 H 1 0.823 . . 1 . . . . 6 I HD1 . 16907 1 53 . 1 1 6 6 ILE HD13 H 1 0.823 . . 1 . . . . 6 I HD1 . 16907 1 54 . 1 1 6 6 ILE HG12 H 1 1.924 . . 2 . . . . 6 I HG12 . 16907 1 55 . 1 1 6 6 ILE HG13 H 1 1.053 . . 2 . . . . 6 I HG13 . 16907 1 56 . 1 1 6 6 ILE HG21 H 1 0.936 . . 1 . . . . 6 I HG2 . 16907 1 57 . 1 1 6 6 ILE HG22 H 1 0.936 . . 1 . . . . 6 I HG2 . 16907 1 58 . 1 1 6 6 ILE HG23 H 1 0.936 . . 1 . . . . 6 I HG2 . 16907 1 59 . 1 1 6 6 ILE C C 13 177.540 . . 1 . . . . 6 I C . 16907 1 60 . 1 1 6 6 ILE CA C 13 65.540 . . 1 . . . . 6 I CA . 16907 1 61 . 1 1 6 6 ILE CB C 13 38.075 . . 1 . . . . 6 I CB . 16907 1 62 . 1 1 6 6 ILE CD1 C 13 13.555 . . 1 . . . . 6 I CD1 . 16907 1 63 . 1 1 6 6 ILE CG1 C 13 28.980 . . 1 . . . . 6 I CG1 . 16907 1 64 . 1 1 6 6 ILE CG2 C 13 17.608 . . 1 . . . . 6 I CG2 . 16907 1 65 . 1 1 6 6 ILE N N 15 118.760 . . 1 . . . . 6 I N . 16907 1 66 . 1 1 7 7 ALA H H 1 8.306 . . 1 . . . . 7 A HN . 16907 1 67 . 1 1 7 7 ALA HA H 1 3.954 . . 1 . . . . 7 A HA . 16907 1 68 . 1 1 7 7 ALA HB1 H 1 1.373 . . 1 . . . . 7 A HB . 16907 1 69 . 1 1 7 7 ALA HB2 H 1 1.373 . . 1 . . . . 7 A HB . 16907 1 70 . 1 1 7 7 ALA HB3 H 1 1.373 . . 1 . . . . 7 A HB . 16907 1 71 . 1 1 7 7 ALA C C 13 180.359 . . 1 . . . . 7 A C . 16907 1 72 . 1 1 7 7 ALA CA C 13 55.326 . . 1 . . . . 7 A CA . 16907 1 73 . 1 1 7 7 ALA CB C 13 18.171 . . 1 . . . . 7 A CB . 16907 1 74 . 1 1 7 7 ALA N N 15 120.472 . . 1 . . . . 7 A N . 16907 1 75 . 1 1 8 8 GLY H H 1 8.333 . . 1 . . . . 8 G HN . 16907 1 76 . 1 1 8 8 GLY HA2 H 1 3.784 . . 2 . . . . 8 G HA . 16907 1 77 . 1 1 8 8 GLY HA3 H 1 3.784 . . 2 . . . . 8 G HA . 16907 1 78 . 1 1 8 8 GLY C C 13 175.888 . . 1 . . . . 8 G C . 16907 1 79 . 1 1 8 8 GLY CA C 13 46.334 . . 1 . . . . 8 G CA . 16907 1 80 . 1 1 8 8 GLY N N 15 105.737 . . 1 . . . . 8 G N . 16907 1 81 . 1 1 9 9 PHE H H 1 8.306 . . 1 . . . . 9 F HN . 16907 1 82 . 1 1 9 9 PHE HA H 1 4.638 . . 1 . . . . 9 F HA . 16907 1 83 . 1 1 9 9 PHE HB2 H 1 3.196 . . 2 . . . . 9 F HB2 . 16907 1 84 . 1 1 9 9 PHE HB3 H 1 3.164 . . 2 . . . . 9 F HB3 . 16907 1 85 . 1 1 9 9 PHE HD1 H 1 6.981 . . 3 . . . . 9 F HD . 16907 1 86 . 1 1 9 9 PHE HD2 H 1 6.981 . . 3 . . . . 9 F HD . 16907 1 87 . 1 1 9 9 PHE HE1 H 1 6.981 . . 3 . . . . 9 F HE . 16907 1 88 . 1 1 9 9 PHE HE2 H 1 6.981 . . 3 . . . . 9 F HE . 16907 1 89 . 1 1 9 9 PHE HZ H 1 6.981 . . 1 . . . . 9 F HZ . 16907 1 90 . 1 1 9 9 PHE C C 13 178.532 . . 1 . . . . 9 F C . 16907 1 91 . 1 1 9 9 PHE CA C 13 60.374 . . 1 . . . . 9 F CA . 16907 1 92 . 1 1 9 9 PHE CB C 13 39.45 . . 1 . . . . 9 F CB . 16907 1 93 . 1 1 9 9 PHE N N 15 123.393 . . 1 . . . . 9 F N . 16907 1 94 . 1 1 10 10 ILE H H 1 7.879 . . 1 . . . . 10 I HN . 16907 1 95 . 1 1 10 10 ILE HA H 1 3.451 . . 1 . . . . 10 I HA . 16907 1 96 . 1 1 10 10 ILE HB H 1 2.036 . . 1 . . . . 10 I HB . 16907 1 97 . 1 1 10 10 ILE HD11 H 1 0.928 . . 1 . . . . 10 I HD1 . 16907 1 98 . 1 1 10 10 ILE HD12 H 1 0.928 . . 1 . . . . 10 I HD1 . 16907 1 99 . 1 1 10 10 ILE HD13 H 1 0.928 . . 1 . . . . 10 I HD1 . 16907 1 100 . 1 1 10 10 ILE HG12 H 1 1.981 . . 2 . . . . 10 I HG12 . 16907 1 101 . 1 1 10 10 ILE HG13 H 1 1.237 . . 2 . . . . 10 I HG13 . 16907 1 102 . 1 1 10 10 ILE HG21 H 1 0.958 . . 1 . . . . 10 I HG2 . 16907 1 103 . 1 1 10 10 ILE HG22 H 1 0.958 . . 1 . . . . 10 I HG2 . 16907 1 104 . 1 1 10 10 ILE HG23 H 1 0.958 . . 1 . . . . 10 I HG2 . 16907 1 105 . 1 1 10 10 ILE C C 13 176.952 . . 1 . . . . 10 I C . 16907 1 106 . 1 1 10 10 ILE CA C 13 65.122 . . 1 . . . . 10 I CA . 16907 1 107 . 1 1 10 10 ILE CB C 13 37.966 . . 1 . . . . 10 I CB . 16907 1 108 . 1 1 10 10 ILE CD1 C 13 13.789 . . 1 . . . . 10 I CD1 . 16907 1 109 . 1 1 10 10 ILE CG1 C 13 29.636 . . 1 . . . . 10 I CG1 . 16907 1 110 . 1 1 10 10 ILE CG2 C 13 17.504 . . 1 . . . . 10 I CG2 . 16907 1 111 . 1 1 10 10 ILE N N 15 119.279 . . 1 . . . . 10 I N . 16907 1 112 . 1 1 11 11 GLU H H 1 7.788 . . 1 . . . . 11 E HN . 16907 1 113 . 1 1 11 11 GLU HA H 1 4.179 . . 1 . . . . 11 E HA . 16907 1 114 . 1 1 11 11 GLU HB2 H 1 2.021 . . 2 . . . . 11 E HB . 16907 1 115 . 1 1 11 11 GLU HB3 H 1 2.021 . . 2 . . . . 11 E HB . 16907 1 116 . 1 1 11 11 GLU HG2 H 1 2.300 . . 2 . . . . 11 E HG2 . 16907 1 117 . 1 1 11 11 GLU HG3 H 1 2.215 . . 2 . . . . 11 E HG3 . 16907 1 118 . 1 1 11 11 GLU C C 13 178.407 . . 1 . . . . 11 E C . 16907 1 119 . 1 1 11 11 GLU CA C 13 58.337 . . 1 . . . . 11 E CA . 16907 1 120 . 1 1 11 11 GLU CB C 13 30.953 . . 1 . . . . 11 E CB . 16907 1 121 . 1 1 11 11 GLU CG C 13 36.384 . . 1 . . . . 11 E CG . 16907 1 122 . 1 1 11 11 GLU N N 15 115.573 . . 1 . . . . 11 E N . 16907 1 123 . 1 1 12 12 GLY H H 1 8.469 . . 1 . . . . 12 G HN . 16907 1 124 . 1 1 12 12 GLY HA2 H 1 4.564 . . 2 . . . . 12 G HA2 . 16907 1 125 . 1 1 12 12 GLY HA3 H 1 3.653 . . 2 . . . . 12 G HA3 . 16907 1 126 . 1 1 12 12 GLY C C 13 175.927 . . 1 . . . . 12 G C . 16907 1 127 . 1 1 12 12 GLY CA C 13 45.883 . . 1 . . . . 12 G CA . 16907 1 128 . 1 1 12 12 GLY N N 15 105.522 . . 1 . . . . 12 G N . 16907 1 129 . 1 1 13 13 GLY H H 1 8.385 . . 1 . . . . 13 G HN . 16907 1 130 . 1 1 13 13 GLY HA2 H 1 3.054 . . 2 . . . . 13 G HA2 . 16907 1 131 . 1 1 13 13 GLY HA3 H 1 4.026 . . 2 . . . . 13 G HA3 . 16907 1 132 . 1 1 13 13 GLY C C 13 174.068 . . 1 . . . . 13 G C . 16907 1 133 . 1 1 13 13 GLY CA C 13 45.325 . . 1 . . . . 13 G CA . 16907 1 134 . 1 1 13 13 GLY N N 15 112.314 . . 1 . . . . 13 G N . 16907 1 135 . 1 1 14 14 TRP H H 1 9.095 . . 1 . . . . 14 W HN . 16907 1 136 . 1 1 14 14 TRP HA H 1 4.430 . . 1 . . . . 14 W HA . 16907 1 137 . 1 1 14 14 TRP HB2 H 1 3.520 . . 2 . . . . 14 W HB2 . 16907 1 138 . 1 1 14 14 TRP HB3 H 1 3.426 . . 2 . . . . 14 W HB3 . 16907 1 139 . 1 1 14 14 TRP HD1 H 1 7.362 . . 1 . . . . 14 W HD1 . 16907 1 140 . 1 1 14 14 TRP HE1 H 1 10.743 . . 1 . . . . 14 W HE1 . 16907 1 141 . 1 1 14 14 TRP HE3 H 1 7.610 . . 1 . . . . 14 W HE3 . 16907 1 142 . 1 1 14 14 TRP HH2 H 1 6.998 . . 1 . . . . 14 W HH2 . 16907 1 143 . 1 1 14 14 TRP HZ2 H 1 7.485 . . 1 . . . . 14 W HZ2 . 16907 1 144 . 1 1 14 14 TRP HZ3 H 1 6.897 . . 1 . . . . 14 W HZ3 . 16907 1 145 . 1 1 14 14 TRP C C 13 177.620 . . 1 . . . . 14 W C . 16907 1 146 . 1 1 14 14 TRP CA C 13 61.345 . . 1 . . . . 14 W CA . 16907 1 147 . 1 1 14 14 TRP CB C 13 29.891 . . 1 . . . . 14 W CB . 16907 1 148 . 1 1 14 14 TRP N N 15 124.653 . . 1 . . . . 14 W N . 16907 1 149 . 1 1 14 14 TRP NE1 N 15 130.639 . . 1 . . . . 14 W NE1 . 16907 1 150 . 1 1 15 15 THR H H 1 8.616 . . 1 . . . . 15 T HN . 16907 1 151 . 1 1 15 15 THR HA H 1 3.947 . . 1 . . . . 15 T HA . 16907 1 152 . 1 1 15 15 THR HB H 1 4.207 . . 1 . . . . 15 T HB . 16907 1 153 . 1 1 15 15 THR HG21 H 1 1.332 . . . . . . . 15 T HG2 . 16907 1 154 . 1 1 15 15 THR HG22 H 1 1.332 . . . . . . . 15 T HG2 . 16907 1 155 . 1 1 15 15 THR HG23 H 1 1.332 . . . . . . . 15 T HG2 . 16907 1 156 . 1 1 15 15 THR C C 13 176.832 . . 1 . . . . 15 T C . 16907 1 157 . 1 1 15 15 THR CA C 13 66.218 . . 1 . . . . 15 T CA . 16907 1 158 . 1 1 15 15 THR CB C 13 68.526 . . 1 . . . . 15 T CB . 16907 1 159 . 1 1 15 15 THR CG2 C 13 22.157 . . 1 . . . . 15 T CG2 . 16907 1 160 . 1 1 15 15 THR N N 15 110.877 . . 1 . . . . 15 T N . 16907 1 161 . 1 1 16 16 GLY H H 1 7.225 . . 1 . . . . 16 G HN . 16907 1 162 . 1 1 16 16 GLY HA2 H 1 3.868 . . 2 . . . . 16 G HA2 . 16907 1 163 . 1 1 16 16 GLY HA3 H 1 3.631 . . 2 . . . . 16 G HA3 . 16907 1 164 . 1 1 16 16 GLY C C 13 177.020 . . 1 . . . . 16 G C . 16907 1 165 . 1 1 16 16 GLY CA C 13 46.744 . . 1 . . . . 16 G CA . 16907 1 166 . 1 1 16 16 GLY N N 15 108.970 . . 1 . . . . 16 G N . 16907 1 167 . 1 1 17 17 MET H H 1 8.520 . . 1 . . . . 17 M HN . 16907 1 168 . 1 1 17 17 MET HA H 1 4.579 . . 1 . . . . 17 M HA . 16907 1 169 . 1 1 17 17 MET HB2 H 1 2.648 . . 2 . . . . 17 M HB2 . 16907 1 170 . 1 1 17 17 MET HB3 H 1 2.114 . . 2 . . . . 17 M HB3 . 16907 1 171 . 1 1 17 17 MET HG2 H 1 2.500 . . 2 . . . . 17 M HG2 . 16907 1 172 . 1 1 17 17 MET HG3 H 1 2.157 . . 2 . . . . 17 M HG3 . 16907 1 173 . 1 1 17 17 MET C C 13 177.611 . . 1 . . . . 17 M C . 16907 1 174 . 1 1 17 17 MET CA C 13 58.632 . . 1 . . . . 17 M CA . 16907 1 175 . 1 1 17 17 MET CB C 13 34.056 . . 1 . . . . 17 M CB . 16907 1 176 . 1 1 17 17 MET CG C 13 31.721 . . 1 . . . . 17 M CG . 16907 1 177 . 1 1 17 17 MET N N 15 125.013 . . 1 . . . . 17 M N . 16907 1 178 . 1 1 18 18 ILE H H 1 7.857 . . 1 . . . . 18 I HN . 16907 1 179 . 1 1 18 18 ILE HA H 1 3.656 . . 1 . . . . 18 I HA . 16907 1 180 . 1 1 18 18 ILE HB H 1 2.041 . . 1 . . . . 18 I HB . 16907 1 181 . 1 1 18 18 ILE HD11 H 1 0.674 . . 1 . . . . 18 I HD1 . 16907 1 182 . 1 1 18 18 ILE HD12 H 1 0.674 . . 1 . . . . 18 I HD1 . 16907 1 183 . 1 1 18 18 ILE HD13 H 1 0.674 . . 1 . . . . 18 I HD1 . 16907 1 184 . 1 1 18 18 ILE HG12 H 1 1.523 . . 2 . . . . 18 I HG12 . 16907 1 185 . 1 1 18 18 ILE HG13 H 1 1.070 . . 2 . . . . 18 I HG13 . 16907 1 186 . 1 1 18 18 ILE HG21 H 1 1.144 . . 1 . . . . 18 I HG2 . 16907 1 187 . 1 1 18 18 ILE HG22 H 1 1.144 . . 1 . . . . 18 I HG2 . 16907 1 188 . 1 1 18 18 ILE HG23 H 1 1.144 . . 1 . . . . 18 I HG2 . 16907 1 189 . 1 1 18 18 ILE C C 13 178.075 . . 1 . . . . 18 I C . 16907 1 190 . 1 1 18 18 ILE CA C 13 64.513 . . 1 . . . . 18 I CA . 16907 1 191 . 1 1 18 18 ILE CB C 13 37.425 . . 1 . . . . 18 I CB . 16907 1 192 . 1 1 18 18 ILE CD1 C 13 12.168 . . 1 . . . . 18 I CD1 . 16907 1 193 . 1 1 18 18 ILE CG1 C 13 28.392 . . 1 . . . . 18 I CG1 . 16907 1 194 . 1 1 18 18 ILE CG2 C 13 18.051 . . 1 . . . . 18 I CG2 . 16907 1 195 . 1 1 18 18 ILE N N 15 119.813 . . 1 . . . . 18 I N . 16907 1 196 . 1 1 19 19 ASP H H 1 8.041 . . 1 . . . . 19 D HN . 16907 1 197 . 1 1 19 19 ASP HA H 1 4.589 . . 1 . . . . 19 D HA . 16907 1 198 . 1 1 19 19 ASP HB2 H 1 2.708 . . 2 . . . . 19 D HB2 . 16907 1 199 . 1 1 19 19 ASP HB3 H 1 2.622 . . 2 . . . . 19 D HB3 . 16907 1 200 . 1 1 19 19 ASP C C 13 179.897 . . 1 . . . . 19 D C . 16907 1 201 . 1 1 19 19 ASP CA C 13 57.407 . . 1 . . . . 19 D CA . 16907 1 202 . 1 1 19 19 ASP CB C 13 40.484 . . 1 . . . . 19 D CB . 16907 1 203 . 1 1 19 19 ASP N N 15 118.945 . . 1 . . . . 19 D N . 16907 1 204 . 1 1 20 20 GLY H H 1 8.352 . . 1 . . . . 20 G HN . 16907 1 205 . 1 1 20 20 GLY HA2 H 1 3.817 . . 2 . . . . 20 G HA2 . 16907 1 206 . 1 1 20 20 GLY HA3 H 1 3.701 . . 2 . . . . 20 G HA3 . 16907 1 207 . 1 1 20 20 GLY C C 13 176.088 . . 1 . . . . 20 G C . 16907 1 208 . 1 1 20 20 GLY CA C 13 45.965 . . 1 . . . . 20 G CA . 16907 1 209 . 1 1 20 20 GLY N N 15 107.496 . . 1 . . . . 20 G N . 16907 1 210 . 1 1 21 21 TRP H H 1 8.587 . . 1 . . . . 21 W HN . 16907 1 211 . 1 1 21 21 TRP HA H 1 4.465 . . 1 . . . . 21 W HA . 16907 1 212 . 1 1 21 21 TRP HB2 H 1 3.304 . . 2 . . . . 21 W HB2 . 16907 1 213 . 1 1 21 21 TRP HB3 H 1 3.138 . . 2 . . . . 21 W HB3 . 16907 1 214 . 1 1 21 21 TRP HD1 H 1 5.472 . . 1 . . . . 21 W HD1 . 16907 1 215 . 1 1 21 21 TRP HE1 H 1 10.374 . . 1 . . . . 21 W HE1 . 16907 1 216 . 1 1 21 21 TRP HE3 H 1 7.168 . . 1 . . . . 21 W HE3 . 16907 1 217 . 1 1 21 21 TRP HH2 H 1 6.988 . . 1 . . . . 21 W HH2 . 16907 1 218 . 1 1 21 21 TRP HZ2 H 1 7.407 . . 1 . . . . 21 W HZ2 . 16907 1 219 . 1 1 21 21 TRP HZ3 H 1 6.721 . . 1 . . . . 21 W HZ3 . 16907 1 220 . 1 1 21 21 TRP C C 13 177.123 . . 1 . . . . 21 W C . 16907 1 221 . 1 1 21 21 TRP CA C 13 59.817 . . 1 . . . . 21 W CA . 16907 1 222 . 1 1 21 21 TRP CB C 13 29.747 . . 1 . . . . 21 W CB . 16907 1 223 . 1 1 21 21 TRP N N 15 123.763 . . 1 . . . . 21 W N . 16907 1 224 . 1 1 21 21 TRP NE1 N 15 129.889 . . 1 . . . . 21 W NE1 . 16907 1 225 . 1 1 22 22 TYR H H 1 7.767 . . 1 . . . . 22 Y HN . 16907 1 226 . 1 1 22 22 TYR HA H 1 4.127 . . 1 . . . . 22 Y HA . 16907 1 227 . 1 1 22 22 TYR HB2 H 1 3.234 . . 2 . . . . 22 Y HB2 . 16907 1 228 . 1 1 22 22 TYR HB3 H 1 2.946 . . 2 . . . . 22 Y HB3 . 16907 1 229 . 1 1 22 22 TYR HD1 H 1 7.436 . . 3 . . . . 22 Y HD . 16907 1 230 . 1 1 22 22 TYR HD2 H 1 7.436 . . 3 . . . . 22 Y HD . 16907 1 231 . 1 1 22 22 TYR HE1 H 1 6.991 . . 3 . . . . 22 Y HE . 16907 1 232 . 1 1 22 22 TYR HE2 H 1 6.991 . . 3 . . . . 22 Y HE . 16907 1 233 . 1 1 22 22 TYR C C 13 177.574 . . 1 . . . . 22 Y C . 16907 1 234 . 1 1 22 22 TYR CA C 13 60.633 . . 1 . . . . 22 Y CA . 16907 1 235 . 1 1 22 22 TYR CB C 13 38.926 . . 1 . . . . 22 Y CB . 16907 1 236 . 1 1 22 22 TYR N N 15 113.074 . . 1 . . . . 22 Y N . 16907 1 237 . 1 1 23 23 GLY H H 1 8.074 . . 1 . . . . 23 G HN . 16907 1 238 . 1 1 23 23 GLY HA2 H 1 4.067 . . 2 . . . . 23 G HA2 . 16907 1 239 . 1 1 23 23 GLY HA3 H 1 3.998 . . 2 . . . . 23 G HA3 . 16907 1 240 . 1 1 23 23 GLY CA C 13 46.040 . . 1 . . . . 23 G CA . 16907 1 241 . 1 1 23 23 GLY N N 15 108.785 . . 1 . . . . 23 G N . 16907 1 242 . 1 1 24 24 SER HA H 1 4.461 . . 1 . . . . 24 S HA . 16907 1 243 . 1 1 24 24 SER HB2 H 1 3.923 . . 2 . . . . 24 S HB2 . 16907 1 244 . 1 1 24 24 SER HB3 H 1 3.823 . . 2 . . . . 24 S HB3 . 16907 1 245 . 1 1 24 24 SER CA C 13 63.835 . . 1 . . . . 24 S CA . 16907 1 246 . 1 1 24 24 SER CB C 13 63.857 . . 1 . . . . 24 S CB . 16907 1 stop_ save_