################################### # 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 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode Assigned_Chemical_Shifts _Assigned_chem_shift_list.Entry_ID 20029 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $35C _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' . . . 20029 1 2 '2D 1H-1H TOCSY' . . . 20029 1 3 '2D 1H-1H NOESY' . . . 20029 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 4 $SPARKY . . 20029 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 LYS HA H 1 3.967 0.020 . 1 . . . . 1 K HA . 20029 1 2 . 1 1 1 1 LYS HB2 H 1 1.857 0.020 . 2 . . . . 1 K HB2 . 20029 1 3 . 1 1 1 1 LYS HB3 H 1 1.731 0.020 . 2 . . . . 1 K HB3 . 20029 1 4 . 1 1 1 1 LYS HD2 H 1 1.685 0.020 . 2 . . . . 1 K HD . 20029 1 5 . 1 1 1 1 LYS HD3 H 1 1.685 0.020 . 2 . . . . 1 K HD . 20029 1 6 . 1 1 1 1 LYS HE2 H 1 2.993 0.020 . 2 . . . . 1 K HE . 20029 1 7 . 1 1 1 1 LYS HE3 H 1 2.993 0.020 . 2 . . . . 1 K HE . 20029 1 8 . 1 1 1 1 LYS HG2 H 1 1.405 0.020 . 2 . . . . 1 K HG . 20029 1 9 . 1 1 1 1 LYS HG3 H 1 1.405 0.020 . 2 . . . . 1 K HG . 20029 1 10 . 1 1 1 1 LYS CA C 13 55.642 0.200 . 1 . . . . 1 K CA . 20029 1 11 . 1 1 1 1 LYS CB C 13 33.230 0.200 . 1 . . . . 1 K CB . 20029 1 12 . 1 1 1 1 LYS CD C 13 29.036 0.200 . 1 . . . . 1 K CD . 20029 1 13 . 1 1 1 1 LYS CE C 13 41.990 0.200 . 1 . . . . 1 K CE . 20029 1 14 . 1 1 1 1 LYS CG C 13 24.534 0.200 . 1 . . . . 1 K CG . 20029 1 15 . 1 1 2 2 PHE H H 1 8.249 0.020 . 1 . . . . 2 F HN . 20029 1 16 . 1 1 2 2 PHE HA H 1 4.655 0.020 . 1 . . . . 2 F HA . 20029 1 17 . 1 1 2 2 PHE HB2 H 1 3.080 0.020 . 2 . . . . 2 F HB . 20029 1 18 . 1 1 2 2 PHE HB3 H 1 3.080 0.020 . 2 . . . . 2 F HB . 20029 1 19 . 1 1 2 2 PHE HD1 H 1 7.264 0.020 . 3 . . . . 2 F HD . 20029 1 20 . 1 1 2 2 PHE HD2 H 1 7.264 0.020 . 3 . . . . 2 F HD . 20029 1 21 . 1 1 2 2 PHE HE1 H 1 7.356 0.020 . 3 . . . . 2 F HE . 20029 1 22 . 1 1 2 2 PHE HE2 H 1 7.356 0.020 . 3 . . . . 2 F HE . 20029 1 23 . 1 1 2 2 PHE HZ H 1 7.315 0.020 . 1 . . . . 2 F HZ . 20029 1 24 . 1 1 2 2 PHE CA C 13 58.032 0.200 . 1 . . . . 2 F CA . 20029 1 25 . 1 1 2 2 PHE CB C 13 39.617 0.200 . 1 . . . . 2 F CB . 20029 1 26 . 1 1 2 2 PHE CD1 C 13 131.718 0.200 . 3 . . . . 2 F CD . 20029 1 27 . 1 1 2 2 PHE CD2 C 13 131.718 0.200 . 3 . . . . 2 F CD . 20029 1 28 . 1 1 2 2 PHE CE1 C 13 131.499 0.200 . 3 . . . . 2 F CE . 20029 1 29 . 1 1 2 2 PHE CE2 C 13 131.499 0.200 . 3 . . . . 2 F CE . 20029 1 30 . 1 1 2 2 PHE CZ C 13 129.989 0.200 . 1 . . . . 2 F CZ . 20029 1 31 . 1 1 3 3 ARG H H 1 8.247 0.020 . 1 . . . . 3 R HN . 20029 1 32 . 1 1 3 3 ARG HA H 1 4.295 0.020 . 1 . . . . 3 R HA . 20029 1 33 . 1 1 3 3 ARG HB2 H 1 1.756 0.020 . 2 . . . . 3 R HB2 . 20029 1 34 . 1 1 3 3 ARG HB3 H 1 1.675 0.020 . 2 . . . . 3 R HB3 . 20029 1 35 . 1 1 3 3 ARG HD2 H 1 3.195 0.020 . 2 . . . . 3 R HD . 20029 1 36 . 1 1 3 3 ARG HD3 H 1 3.195 0.020 . 2 . . . . 3 R HD . 20029 1 37 . 1 1 3 3 ARG HG2 H 1 1.592 0.020 . 2 . . . . 3 R HG2 . 20029 1 38 . 1 1 3 3 ARG HG3 H 1 1.532 0.020 . 2 . . . . 3 R HG3 . 20029 1 39 . 1 1 3 3 ARG CA C 13 55.913 0.200 . 1 . . . . 3 R CA . 20029 1 40 . 1 1 3 3 ARG CB C 13 30.867 0.200 . 1 . . . . 3 R CB . 20029 1 41 . 1 1 3 3 ARG CD C 13 43.401 0.200 . 1 . . . . 3 R CD . 20029 1 42 . 1 1 3 3 ARG CG C 13 26.966 0.200 . 1 . . . . 3 R CG . 20029 1 43 . 1 1 4 4 ARG H H 1 8.266 0.020 . 1 . . . . 4 R HN . 20029 1 44 . 1 1 4 4 ARG HA H 1 4.233 0.020 . 1 . . . . 4 R HA . 20029 1 45 . 1 1 4 4 ARG HB2 H 1 1.815 0.020 . 2 . . . . 4 R HB2 . 20029 1 46 . 1 1 4 4 ARG HB3 H 1 1.749 0.020 . 2 . . . . 4 R HB3 . 20029 1 47 . 1 1 4 4 ARG HD2 H 1 3.219 0.020 . 2 . . . . 4 R HD . 20029 1 48 . 1 1 4 4 ARG HD3 H 1 3.219 0.020 . 2 . . . . 4 R HD . 20029 1 49 . 1 1 4 4 ARG HG2 H 1 1.666 0.020 . 2 . . . . 4 R HG2 . 20029 1 50 . 1 1 4 4 ARG HG3 H 1 1.628 0.020 . 2 . . . . 4 R HG3 . 20029 1 51 . 1 1 4 4 ARG CA C 13 56.090 0.200 . 1 . . . . 4 R CA . 20029 1 52 . 1 1 4 4 ARG CB C 13 30.837 0.200 . 1 . . . . 4 R CB . 20029 1 53 . 1 1 4 4 ARG CD C 13 43.369 0.200 . 1 . . . . 4 R CD . 20029 1 54 . 1 1 4 4 ARG CG C 13 27.170 0.200 . 1 . . . . 4 R CG . 20029 1 55 . 1 1 5 5 GLN H H 1 8.438 0.020 . 1 . . . . 5 Q HN . 20029 1 56 . 1 1 5 5 GLN HA H 1 4.342 0.020 . 1 . . . . 5 Q HA . 20029 1 57 . 1 1 5 5 GLN HB2 H 1 2.053 0.020 . 2 . . . . 5 Q HB2 . 20029 1 58 . 1 1 5 5 GLN HB3 H 1 1.952 0.020 . 2 . . . . 5 Q HB3 . 20029 1 59 . 1 1 5 5 GLN HE21 H 1 7.501 0.020 . 2 . . . . 5 Q HE21 . 20029 1 60 . 1 1 5 5 GLN HE22 H 1 6.830 0.020 . 2 . . . . 5 Q HE22 . 20029 1 61 . 1 1 5 5 GLN HG2 H 1 2.350 0.020 . 2 . . . . 5 Q HG . 20029 1 62 . 1 1 5 5 GLN HG3 H 1 2.350 0.020 . 2 . . . . 5 Q HG . 20029 1 63 . 1 1 5 5 GLN CA C 13 55.714 0.200 . 1 . . . . 5 Q CA . 20029 1 64 . 1 1 5 5 GLN CB C 13 29.812 0.200 . 1 . . . . 5 Q CB . 20029 1 65 . 1 1 5 5 GLN CG C 13 33.748 0.200 . 1 . . . . 5 Q CG . 20029 1 66 . 1 1 6 6 ARG H H 1 8.432 0.020 . 1 . . . . 6 R HN . 20029 1 67 . 1 1 6 6 ARG HA H 1 4.580 0.020 . 1 . . . . 6 R HA . 20029 1 68 . 1 1 6 6 ARG HB2 H 1 1.849 0.020 . 2 . . . . 6 R HB2 . 20029 1 69 . 1 1 6 6 ARG HB3 H 1 1.731 0.020 . 2 . . . . 6 R HB3 . 20029 1 70 . 1 1 6 6 ARG HD2 H 1 3.203 0.020 . 2 . . . . 6 R HD . 20029 1 71 . 1 1 6 6 ARG HD3 H 1 3.203 0.020 . 2 . . . . 6 R HD . 20029 1 72 . 1 1 6 6 ARG HG2 H 1 1.681 0.020 . 2 . . . . 6 R HG . 20029 1 73 . 1 1 6 6 ARG HG3 H 1 1.681 0.020 . 2 . . . . 6 R HG . 20029 1 74 . 1 1 6 6 ARG CA C 13 54.060 0.200 . 1 . . . . 6 R CA . 20029 1 75 . 1 1 6 6 ARG CB C 13 30.236 0.200 . 1 . . . . 6 R CB . 20029 1 76 . 1 1 6 6 ARG CD C 13 43.390 0.200 . 1 . . . . 6 R CD . 20029 1 77 . 1 1 6 6 ARG CG C 13 26.775 0.200 . 1 . . . . 6 R CG . 20029 1 78 . 1 1 7 7 PRO HA H 1 4.419 0.020 . 1 . . . . 7 P HA . 20029 1 79 . 1 1 7 7 PRO HB2 H 1 2.291 0.020 . 2 . . . . 7 P HB2 . 20029 1 80 . 1 1 7 7 PRO HB3 H 1 1.868 0.020 . 2 . . . . 7 P HB3 . 20029 1 81 . 1 1 7 7 PRO HD2 H 1 3.803 0.020 . 2 . . . . 7 P HD2 . 20029 1 82 . 1 1 7 7 PRO HD3 H 1 3.631 0.020 . 2 . . . . 7 P HD3 . 20029 1 83 . 1 1 7 7 PRO HG2 H 1 2.015 0.020 . 2 . . . . 7 P HG . 20029 1 84 . 1 1 7 7 PRO HG3 H 1 2.015 0.020 . 2 . . . . 7 P HG . 20029 1 85 . 1 1 7 7 PRO CA C 13 63.051 0.200 . 1 . . . . 7 P CA . 20029 1 86 . 1 1 7 7 PRO CB C 13 31.935 0.200 . 1 . . . . 7 P CB . 20029 1 87 . 1 1 7 7 PRO CD C 13 50.644 0.200 . 1 . . . . 7 P CD . 20029 1 88 . 1 1 7 7 PRO CG C 13 27.166 0.200 . 1 . . . . 7 P CG . 20029 1 89 . 1 1 8 8 ARG H H 1 8.408 0.020 . 1 . . . . 8 R HN . 20029 1 90 . 1 1 8 8 ARG HA H 1 4.299 0.020 . 1 . . . . 8 R HA . 20029 1 91 . 1 1 8 8 ARG HB2 H 1 1.831 0.020 . 2 . . . . 8 R HB2 . 20029 1 92 . 1 1 8 8 ARG HB3 H 1 1.757 0.020 . 2 . . . . 8 R HB3 . 20029 1 93 . 1 1 8 8 ARG HD2 H 1 3.201 0.020 . 2 . . . . 8 R HD . 20029 1 94 . 1 1 8 8 ARG HD3 H 1 3.201 0.020 . 2 . . . . 8 R HD . 20029 1 95 . 1 1 8 8 ARG HG2 H 1 1.673 0.020 . 2 . . . . 8 R HG2 . 20029 1 96 . 1 1 8 8 ARG HG3 H 1 1.616 0.020 . 2 . . . . 8 R HG3 . 20029 1 97 . 1 1 8 8 ARG CA C 13 55.913 0.200 . 1 . . . . 8 R CA . 20029 1 98 . 1 1 8 8 ARG CB C 13 30.503 0.200 . 1 . . . . 8 R CB . 20029 1 99 . 1 1 8 8 ARG CD C 13 43.390 0.200 . 1 . . . . 8 R CD . 20029 1 100 . 1 1 8 8 ARG CG C 13 27.144 0.200 . 1 . . . . 8 R CG . 20029 1 101 . 1 1 9 9 LEU H H 1 8.243 0.020 . 1 . . . . 9 L HN . 20029 1 102 . 1 1 9 9 LEU HA H 1 4.396 0.020 . 1 . . . . 9 L HA . 20029 1 103 . 1 1 9 9 LEU HB2 H 1 1.618 0.020 . 2 . . . . 9 L HB2 . 20029 1 104 . 1 1 9 9 LEU HB3 H 1 1.563 0.020 . 2 . . . . 9 L HB3 . 20029 1 105 . 1 1 9 9 LEU HD11 H 1 0.921 0.020 . 2 . . . . 9 L HD1 . 20029 1 106 . 1 1 9 9 LEU HD12 H 1 0.921 0.020 . 2 . . . . 9 L HD1 . 20029 1 107 . 1 1 9 9 LEU HD13 H 1 0.921 0.020 . 2 . . . . 9 L HD1 . 20029 1 108 . 1 1 9 9 LEU HD21 H 1 0.865 0.020 . 2 . . . . 9 L HD2 . 20029 1 109 . 1 1 9 9 LEU HD22 H 1 0.865 0.020 . 2 . . . . 9 L HD2 . 20029 1 110 . 1 1 9 9 LEU HD23 H 1 0.865 0.020 . 2 . . . . 9 L HD2 . 20029 1 111 . 1 1 9 9 LEU HG H 1 1.602 0.020 . 1 . . . . 9 L HG . 20029 1 112 . 1 1 9 9 LEU CA C 13 54.963 0.200 . 1 . . . . 9 L CA . 20029 1 113 . 1 1 9 9 LEU CB C 13 42.424 0.200 . 1 . . . . 9 L CB . 20029 1 114 . 1 1 9 9 LEU CD1 C 13 24.879 0.200 . 2 . . . . 9 L CD1 . 20029 1 115 . 1 1 9 9 LEU CD2 C 13 23.414 0.200 . 2 . . . . 9 L CD2 . 20029 1 116 . 1 1 9 9 LEU CG C 13 27.063 0.200 . 1 . . . . 9 L CG . 20029 1 117 . 1 1 10 10 SER H H 1 8.260 0.020 . 1 . . . . 10 S HN . 20029 1 118 . 1 1 10 10 SER HA H 1 4.418 0.020 . 1 . . . . 10 S HA . 20029 1 119 . 1 1 10 10 SER HB2 H 1 3.816 0.020 . 2 . . . . 10 S HB . 20029 1 120 . 1 1 10 10 SER HB3 H 1 3.816 0.020 . 2 . . . . 10 S HB . 20029 1 121 . 1 1 10 10 SER CA C 13 58.139 0.200 . 1 . . . . 10 S CA . 20029 1 122 . 1 1 10 10 SER CB C 13 63.904 0.200 . 1 . . . . 10 S CB . 20029 1 123 . 1 1 11 11 HIS H H 1 8.458 0.020 . 1 . . . . 11 H HN . 20029 1 124 . 1 1 11 11 HIS HA H 1 4.693 0.020 . 1 . . . . 11 H HA . 20029 1 125 . 1 1 11 11 HIS HB2 H 1 3.253 0.020 . 2 . . . . 11 H HB2 . 20029 1 126 . 1 1 11 11 HIS HB3 H 1 3.155 0.020 . 2 . . . . 11 H HB3 . 20029 1 127 . 1 1 11 11 HIS HD2 H 1 7.242 0.020 . 1 . . . . 11 H HD2 . 20029 1 128 . 1 1 11 11 HIS HE1 H 1 8.518 0.020 . 1 . . . . 11 H HE1 . 20029 1 129 . 1 1 11 11 HIS CA C 13 55.387 0.200 . 1 . . . . 11 H CA . 20029 1 130 . 1 1 11 11 HIS CB C 13 29.248 0.200 . 1 . . . . 11 H CB . 20029 1 131 . 1 1 11 11 HIS CD2 C 13 120.133 0.200 . 1 . . . . 11 H CD2 . 20029 1 132 . 1 1 11 11 HIS CE1 C 13 136.489 0.200 . 1 . . . . 11 H CE1 . 20029 1 133 . 1 1 12 12 LYS H H 1 8.321 0.020 . 1 . . . . 12 K HN . 20029 1 134 . 1 1 12 12 LYS HA H 1 4.366 0.020 . 1 . . . . 12 K HA . 20029 1 135 . 1 1 12 12 LYS HB2 H 1 1.830 0.020 . 2 . . . . 12 K HB2 . 20029 1 136 . 1 1 12 12 LYS HB3 H 1 1.721 0.020 . 2 . . . . 12 K HB3 . 20029 1 137 . 1 1 12 12 LYS HD2 H 1 1.680 0.020 . 2 . . . . 12 K HD . 20029 1 138 . 1 1 12 12 LYS HD3 H 1 1.680 0.020 . 2 . . . . 12 K HD . 20029 1 139 . 1 1 12 12 LYS HE2 H 1 2.993 0.020 . 2 . . . . 12 K HE . 20029 1 140 . 1 1 12 12 LYS HE3 H 1 2.993 0.020 . 2 . . . . 12 K HE . 20029 1 141 . 1 1 12 12 LYS HG2 H 1 1.413 0.020 . 2 . . . . 12 K HG . 20029 1 142 . 1 1 12 12 LYS HG3 H 1 1.413 0.020 . 2 . . . . 12 K HG . 20029 1 143 . 1 1 12 12 LYS CA C 13 56.195 0.200 . 1 . . . . 12 K CA . 20029 1 144 . 1 1 12 12 LYS CB C 13 33.234 0.200 . 1 . . . . 12 K CB . 20029 1 145 . 1 1 12 12 LYS CD C 13 28.937 0.200 . 1 . . . . 12 K CD . 20029 1 146 . 1 1 12 12 LYS CE C 13 41.990 0.200 . 1 . . . . 12 K CE . 20029 1 147 . 1 1 12 12 LYS CG C 13 24.036 0.200 . 1 . . . . 12 K CG . 20029 1 148 . 1 1 13 13 GLY H H 1 8.209 0.020 . 1 . . . . 13 G HN . 20029 1 149 . 1 1 13 13 GLY HA2 H 1 4.109 0.020 . 2 . . . . 13 G HA . 20029 1 150 . 1 1 13 13 GLY HA3 H 1 4.109 0.020 . 2 . . . . 13 G HA . 20029 1 151 . 1 1 13 13 GLY CA C 13 44.403 0.200 . 1 . . . . 13 G CA . 20029 1 152 . 1 1 14 14 PRO HA H 1 4.447 0.020 . 1 . . . . 14 P HA . 20029 1 153 . 1 1 14 14 PRO HB2 H 1 2.259 0.020 . 2 . . . . 14 P HB2 . 20029 1 154 . 1 1 14 14 PRO HB3 H 1 2.012 0.020 . 2 . . . . 14 P HB3 . 20029 1 155 . 1 1 14 14 PRO HD2 H 1 3.646 0.020 . 2 . . . . 14 P HD2 . 20029 1 156 . 1 1 14 14 PRO HD3 H 1 3.605 0.020 . 2 . . . . 14 P HD3 . 20029 1 157 . 1 1 14 14 PRO HG2 H 1 1.932 0.020 . 2 . . . . 14 P HG . 20029 1 158 . 1 1 14 14 PRO HG3 H 1 1.932 0.020 . 2 . . . . 14 P HG . 20029 1 159 . 1 1 14 14 PRO CA C 13 63.210 0.200 . 1 . . . . 14 P CA . 20029 1 160 . 1 1 14 14 PRO CB C 13 32.062 0.200 . 1 . . . . 14 P CB . 20029 1 161 . 1 1 14 14 PRO CD C 13 49.630 0.200 . 1 . . . . 14 P CD . 20029 1 162 . 1 1 14 14 PRO CG C 13 27.014 0.200 . 1 . . . . 14 P CG . 20029 1 163 . 1 1 15 15 MET H H 1 8.315 0.020 . 1 . . . . 15 M HN . 20029 1 164 . 1 1 15 15 MET HA H 1 4.748 0.020 . 1 . . . . 15 M HA . 20029 1 165 . 1 1 15 15 MET HB2 H 1 1.919 0.020 . 2 . . . . 15 M HB2 . 20029 1 166 . 1 1 15 15 MET HB3 H 1 1.968 0.020 . 2 . . . . 15 M HB3 . 20029 1 167 . 1 1 15 15 MET HE1 H 1 2.083 0.020 . 1 . . . . 15 M HE . 20029 1 168 . 1 1 15 15 MET HE2 H 1 2.083 0.020 . 1 . . . . 15 M HE . 20029 1 169 . 1 1 15 15 MET HE3 H 1 2.083 0.020 . 1 . . . . 15 M HE . 20029 1 170 . 1 1 15 15 MET HG2 H 1 2.610 0.020 . 2 . . . . 15 M HG2 . 20029 1 171 . 1 1 15 15 MET HG3 H 1 2.533 0.020 . 2 . . . . 15 M HG3 . 20029 1 172 . 1 1 15 15 MET CA C 13 53.061 0.200 . 1 . . . . 15 M CA . 20029 1 173 . 1 1 15 15 MET CB C 13 32.378 0.200 . 1 . . . . 15 M CB . 20029 1 174 . 1 1 15 15 MET CE C 13 17.052 0.200 . 1 . . . . 15 M CE . 20029 1 175 . 1 1 15 15 MET CG C 13 32.152 0.200 . 1 . . . . 15 M CG . 20029 1 176 . 1 1 16 16 PRO HA H 1 4.384 0.020 . 1 . . . . 16 P HA . 20029 1 177 . 1 1 16 16 PRO HB2 H 1 2.173 0.020 . 2 . . . . 16 P HB2 . 20029 1 178 . 1 1 16 16 PRO HB3 H 1 1.897 0.020 . 2 . . . . 16 P HB3 . 20029 1 179 . 1 1 16 16 PRO HD2 H 1 3.730 0.020 . 2 . . . . 16 P HD2 . 20029 1 180 . 1 1 16 16 PRO HD3 H 1 3.589 0.020 . 2 . . . . 16 P HD3 . 20029 1 181 . 1 1 16 16 PRO HG2 H 1 1.957 0.020 . 2 . . . . 16 P HG . 20029 1 182 . 1 1 16 16 PRO HG3 H 1 1.957 0.020 . 2 . . . . 16 P HG . 20029 1 183 . 1 1 16 16 PRO CA C 13 63.325 0.200 . 1 . . . . 16 P CA . 20029 1 184 . 1 1 16 16 PRO CB C 13 31.649 0.200 . 1 . . . . 16 P CB . 20029 1 185 . 1 1 16 16 PRO CD C 13 50.468 0.200 . 1 . . . . 16 P CD . 20029 1 186 . 1 1 16 16 PRO CG C 13 27.116 0.200 . 1 . . . . 16 P CG . 20029 1 187 . 1 1 17 17 PHE H H 1 7.458 0.020 . 1 . . . . 17 F HN . 20029 1 188 . 1 1 17 17 PHE HA H 1 4.392 0.020 . 1 . . . . 17 F HA . 20029 1 189 . 1 1 17 17 PHE HB2 H 1 3.115 0.020 . 2 . . . . 17 F HB2 . 20029 1 190 . 1 1 17 17 PHE HB3 H 1 3.018 0.020 . 2 . . . . 17 F HB3 . 20029 1 191 . 1 1 17 17 PHE HD1 H 1 7.238 0.020 . 3 . . . . 17 F HD . 20029 1 192 . 1 1 17 17 PHE HD2 H 1 7.238 0.020 . 3 . . . . 17 F HD . 20029 1 193 . 1 1 17 17 PHE HE1 H 1 7.346 0.020 . 3 . . . . 17 F HE . 20029 1 194 . 1 1 17 17 PHE HE2 H 1 7.346 0.020 . 3 . . . . 17 F HE . 20029 1 195 . 1 1 17 17 PHE HZ H 1 7.291 0.020 . 1 . . . . 17 F HZ . 20029 1 196 . 1 1 17 17 PHE CB C 13 40.137 0.200 . 1 . . . . 17 F CB . 20029 1 197 . 1 1 17 17 PHE CD1 C 13 132.024 0.200 . 3 . . . . 17 F CD . 20029 1 198 . 1 1 17 17 PHE CD2 C 13 132.024 0.200 . 3 . . . . 17 F CD . 20029 1 199 . 1 1 17 17 PHE CE1 C 13 131.229 0.200 . 3 . . . . 17 F CE . 20029 1 200 . 1 1 17 17 PHE CE2 C 13 131.229 0.200 . 3 . . . . 17 F CE . 20029 1 201 . 1 1 17 17 PHE CZ C 13 129.637 0.200 . 1 . . . . 17 F CZ . 20029 1 stop_ save_