################################### # 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_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 30179 _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 $chem_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 NOESY' . . . 30179 1 2 '2D 1H-1H TOCSY' . . . 30179 1 3 '2D DQF-COSY' . . . 30179 1 4 '2D 1H-15N HSQC' . . . 30179 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.Ambiguity_set_ID _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 3.9730 0.0500 . 2 . . . . A 1 GLY HA2 . 30179 1 2 . 1 1 1 1 GLY HA3 H 1 4.0450 0.0500 . 2 . . . . A 1 GLY HA3 . 30179 1 3 . 1 1 1 1 GLY CA C 13 43.447 0.200 . 1 . . . . A 1 GLY CA . 30179 1 4 . 1 1 2 2 GLU HA H 1 4.0000 0.0500 . 1 . . . . A 2 GLU HA . 30179 1 5 . 1 1 2 2 GLU HB2 H 1 2.1060 0.0500 . 2 . . . . A 2 GLU HB2 . 30179 1 6 . 1 1 2 2 GLU HG2 H 1 2.3730 0.0500 . 2 . . . . A 2 GLU HG2 . 30179 1 7 . 1 1 2 2 GLU CA C 13 60.218 0.200 . 1 . . . . A 2 GLU CA . 30179 1 8 . 1 1 2 2 GLU CB C 13 29.604 0.200 . 1 . . . . A 2 GLU CB . 30179 1 9 . 1 1 2 2 GLU CG C 13 36.484 0.200 . 1 . . . . A 2 GLU CG . 30179 1 10 . 1 1 3 3 CGU H H 1 9.1900 0.0500 . 1 . . . . A 3 CGU H . 30179 1 11 . 1 1 3 3 CGU N N 15 121.11 0.300 . 1 . . . . A 3 CGU N . 30179 1 12 . 1 1 3 3 CGU CA C 13 57.535 0.200 . 1 . . . . A 3 CGU CA . 30179 1 13 . 1 1 3 3 CGU CB C 13 30.152 0.200 . 1 . . . . A 3 CGU CB . 30179 1 14 . 1 1 3 3 CGU CG C 13 54.170 0.200 . 1 . . . . A 3 CGU CG . 30179 1 15 . 1 1 3 3 CGU HA H 1 4.4780 0.0500 . 1 . . . . A 3 CGU HA . 30179 1 16 . 1 1 3 3 CGU HB2 H 1 2.2020 0.0500 . 2 . . . . A 3 CGU HB2 . 30179 1 17 . 1 1 3 3 CGU HB3 H 1 1.8870 0.0500 . 2 . . . . A 3 CGU HB3 . 30179 1 18 . 1 1 3 3 CGU HG H 1 3.5430 0.0500 . 2 . . . . A 3 CGU HG . 30179 1 19 . 1 1 4 4 CGU H H 1 7.9330 0.0500 . 1 . . . . A 4 CGU H . 30179 1 20 . 1 1 4 4 CGU N N 15 120.05 0.300 . 1 . . . . A 4 CGU N . 30179 1 21 . 1 1 4 4 CGU CA C 13 59.635 0.200 . 1 . . . . A 4 CGU CA . 30179 1 22 . 1 1 4 4 CGU CB C 13 32.990 0.200 . 1 . . . . A 4 CGU CB . 30179 1 23 . 1 1 4 4 CGU CG C 13 59.976 0.200 . 1 . . . . A 4 CGU CG . 30179 1 24 . 1 1 4 4 CGU HA H 1 4.0040 0.0500 . 1 . . . . A 4 CGU HA . 30179 1 25 . 1 1 4 4 CGU HB2 H 1 2.5010 0.0500 . 2 . . . . A 4 CGU HB2 . 30179 1 26 . 1 1 4 4 CGU HB3 H 1 2.0650 0.0500 . 2 . . . . A 4 CGU HB3 . 30179 1 27 . 1 1 4 4 CGU HG H 1 3.2630 0.0500 . 2 . . . . A 4 CGU HG . 30179 1 28 . 1 1 5 5 LEU H H 1 7.6370 0.0500 . 1 . . . . A 5 LEU H . 30179 1 29 . 1 1 5 5 LEU HA H 1 4.0880 0.0500 . 1 . . . . A 5 LEU HA . 30179 1 30 . 1 1 5 5 LEU HB2 H 1 1.9100 0.0500 . 2 . . . . A 5 LEU HB2 . 30179 1 31 . 1 1 5 5 LEU HB3 H 1 1.5600 0.0500 . 2 . . . . A 5 LEU HB3 . 30179 1 32 . 1 1 5 5 LEU HG H 1 1.8230 0.0500 . 1 . . . . A 5 LEU HG . 30179 1 33 . 1 1 5 5 LEU HD11 H 1 0.90600 0.0500 . 2 . . . . A 5 LEU HD11 . 30179 1 34 . 1 1 5 5 LEU HD12 H 1 0.90600 0.0500 . 2 . . . . A 5 LEU HD12 . 30179 1 35 . 1 1 5 5 LEU HD13 H 1 0.90600 0.0500 . 2 . . . . A 5 LEU HD13 . 30179 1 36 . 1 1 5 5 LEU HD21 H 1 0.88000 0.0500 . 2 . . . . A 5 LEU HD21 . 30179 1 37 . 1 1 5 5 LEU HD22 H 1 0.88000 0.0500 . 2 . . . . A 5 LEU HD22 . 30179 1 38 . 1 1 5 5 LEU HD23 H 1 0.88000 0.0500 . 2 . . . . A 5 LEU HD23 . 30179 1 39 . 1 1 5 5 LEU CA C 13 57.920 0.200 . 1 . . . . A 5 LEU CA . 30179 1 40 . 1 1 5 5 LEU CB C 13 41.418 0.200 . 1 . . . . A 5 LEU CB . 30179 1 41 . 1 1 5 5 LEU CG C 13 26.861 0.200 . 1 . . . . A 5 LEU CG . 30179 1 42 . 1 1 5 5 LEU CD1 C 13 25.238 0.200 . 2 . . . . A 5 LEU CD1 . 30179 1 43 . 1 1 5 5 LEU CD2 C 13 23.017 0.200 . 2 . . . . A 5 LEU CD2 . 30179 1 44 . 1 1 5 5 LEU N N 15 119.35 0.300 . 1 . . . . A 5 LEU N . 30179 1 45 . 1 1 6 6 ALA H H 1 8.0330 0.0500 . 1 . . . . A 6 ALA H . 30179 1 46 . 1 1 6 6 ALA HA H 1 4.1770 0.0500 . 1 . . . . A 6 ALA HA . 30179 1 47 . 1 1 6 6 ALA HB1 H 1 1.5270 0.0500 . 1 . . . . A 6 ALA HB1 . 30179 1 48 . 1 1 6 6 ALA HB2 H 1 1.5270 0.0500 . 1 . . . . A 6 ALA HB2 . 30179 1 49 . 1 1 6 6 ALA HB3 H 1 1.5270 0.0500 . 1 . . . . A 6 ALA HB3 . 30179 1 50 . 1 1 6 6 ALA C C 13 181.46 0.200 . 1 . . . . A 6 ALA C . 30179 1 51 . 1 1 6 6 ALA CA C 13 55.416 0.200 . 1 . . . . A 6 ALA CA . 30179 1 52 . 1 1 6 6 ALA CB C 13 17.895 0.200 . 1 . . . . A 6 ALA CB . 30179 1 53 . 1 1 6 6 ALA N N 15 124.83 0.300 . 1 . . . . A 6 ALA N . 30179 1 54 . 1 1 7 7 CGU H H 1 8.5410 0.0500 . 1 . . . . A 7 CGU H . 30179 1 55 . 1 1 7 7 CGU N N 15 120.22 0.300 . 1 . . . . A 7 CGU N . 30179 1 56 . 1 1 7 7 CGU CA C 13 58.090 0.200 . 1 . . . . A 7 CGU CA . 30179 1 57 . 1 1 7 7 CGU CB C 13 31.934 0.200 . 1 . . . . A 7 CGU CB . 30179 1 58 . 1 1 7 7 CGU CG C 13 53.572 0.200 . 1 . . . . A 7 CGU CG . 30179 1 59 . 1 1 7 7 CGU HA H 1 4.2150 0.0500 . 1 . . . . A 7 CGU HA . 30179 1 60 . 1 1 7 7 CGU HB2 H 1 2.4330 0.0500 . 2 . . . . A 7 CGU HB2 . 30179 1 61 . 1 1 7 7 CGU HB3 H 1 2.2870 0.0500 . 2 . . . . A 7 CGU HB3 . 30179 1 62 . 1 1 7 7 CGU HG H 1 3.8100 0.0500 . 2 . . . . A 7 CGU HG . 30179 1 63 . 1 1 8 8 LYS H H 1 7.9620 0.0500 . 1 . . . . A 8 LYS H . 30179 1 64 . 1 1 8 8 LYS HA H 1 4.2360 0.0500 . 1 . . . . A 8 LYS HA . 30179 1 65 . 1 1 8 8 LYS HB2 H 1 1.9670 0.0500 . 2 . . . . A 8 LYS HB2 . 30179 1 66 . 1 1 8 8 LYS HB3 H 1 1.8910 0.0500 . 2 . . . . A 8 LYS HB3 . 30179 1 67 . 1 1 8 8 LYS HG2 H 1 1.5700 0.0500 . 2 . . . . A 8 LYS HG2 . 30179 1 68 . 1 1 8 8 LYS HD2 H 1 1.6700 0.0500 . 2 . . . . A 8 LYS HD2 . 30179 1 69 . 1 1 8 8 LYS HE2 H 1 2.9450 0.0500 . 2 . . . . A 8 LYS HE2 . 30179 1 70 . 1 1 8 8 LYS CA C 13 58.716 0.200 . 1 . . . . A 8 LYS CA . 30179 1 71 . 1 1 8 8 LYS CB C 13 31.679 0.200 . 1 . . . . A 8 LYS CB . 30179 1 72 . 1 1 8 8 LYS CG C 13 24.780 0.200 . 1 . . . . A 8 LYS CG . 30179 1 73 . 1 1 8 8 LYS CD C 13 28.571 0.200 . 1 . . . . A 8 LYS CD . 30179 1 74 . 1 1 8 8 LYS CE C 13 42.095 0.200 . 1 . . . . A 8 LYS CE . 30179 1 75 . 1 1 8 8 LYS N N 15 120.17 0.300 . 1 . . . . A 8 LYS N . 30179 1 76 . 1 1 9 9 ALA H H 1 8.1750 0.0500 . 1 . . . . A 9 ALA H . 30179 1 77 . 1 1 9 9 ALA HA H 1 4.2860 0.0500 . 1 . . . . A 9 ALA HA . 30179 1 78 . 1 1 9 9 ALA HB1 H 1 1.5600 0.0500 . 1 . . . . A 9 ALA HB1 . 30179 1 79 . 1 1 9 9 ALA HB2 H 1 1.5600 0.0500 . 1 . . . . A 9 ALA HB2 . 30179 1 80 . 1 1 9 9 ALA HB3 H 1 1.5600 0.0500 . 1 . . . . A 9 ALA HB3 . 30179 1 81 . 1 1 9 9 ALA C C 13 180.74 0.200 . 1 . . . . A 9 ALA C . 30179 1 82 . 1 1 9 9 ALA CA C 13 55.289 0.200 . 1 . . . . A 9 ALA CA . 30179 1 83 . 1 1 9 9 ALA CB C 13 17.960 0.200 . 1 . . . . A 9 ALA CB . 30179 1 84 . 1 1 9 9 ALA N N 15 122.05 0.300 . 1 . . . . A 9 ALA N . 30179 1 85 . 1 1 10 10 ALA H H 1 8.1750 0.0500 . 1 . . . . A 10 ALA H . 30179 1 86 . 1 1 10 10 ALA HA H 1 4.2550 0.0500 . 1 . . . . A 10 ALA HA . 30179 1 87 . 1 1 10 10 ALA HB1 H 1 1.5790 0.0500 . 1 . . . . A 10 ALA HB1 . 30179 1 88 . 1 1 10 10 ALA HB2 H 1 1.5790 0.0500 . 1 . . . . A 10 ALA HB2 . 30179 1 89 . 1 1 10 10 ALA HB3 H 1 1.5790 0.0500 . 1 . . . . A 10 ALA HB3 . 30179 1 90 . 1 1 10 10 ALA C C 13 180.74 0.200 . 1 . . . . A 10 ALA C . 30179 1 91 . 1 1 10 10 ALA CA C 13 54.891 0.200 . 1 . . . . A 10 ALA CA . 30179 1 92 . 1 1 10 10 ALA CB C 13 17.960 0.200 . 1 . . . . A 10 ALA CB . 30179 1 93 . 1 1 10 10 ALA N N 15 122.74 0.300 . 1 . . . . A 10 ALA N . 30179 1 94 . 1 1 11 11 CGU H H 1 8.1470 0.0500 . 1 . . . . A 11 CGU H . 30179 1 95 . 1 1 11 11 CGU N N 15 120.74 0.300 . 1 . . . . A 11 CGU N . 30179 1 96 . 1 1 11 11 CGU CA C 13 57.357 0.200 . 1 . . . . A 11 CGU CA . 30179 1 97 . 1 1 11 11 CGU CB C 13 30.092 0.200 . 1 . . . . A 11 CGU CB . 30179 1 98 . 1 1 11 11 CGU CG C 13 53.670 0.200 . 1 . . . . A 11 CGU CG . 30179 1 99 . 1 1 11 11 CGU HA H 1 4.5750 0.0500 . 1 . . . . A 11 CGU HA . 30179 1 100 . 1 1 11 11 CGU HB2 H 1 2.1950 0.0500 . 2 . . . . A 11 CGU HB2 . 30179 1 101 . 1 1 11 11 CGU HB3 H 1 2.1680 0.0500 . 2 . . . . A 11 CGU HB3 . 30179 1 102 . 1 1 11 11 CGU HG H 1 3.7020 0.0500 . 2 . . . . A 11 CGU HG . 30179 1 103 . 1 1 12 12 PHE H H 1 8.4580 0.0500 . 1 . . . . A 12 PHE H . 30179 1 104 . 1 1 12 12 PHE HA H 1 4.4270 0.0500 . 1 . . . . A 12 PHE HA . 30179 1 105 . 1 1 12 12 PHE HB2 H 1 3.2750 0.0500 . 2 . . . . A 12 PHE HB2 . 30179 1 106 . 1 1 12 12 PHE HB3 H 1 3.1990 0.0500 . 2 . . . . A 12 PHE HB3 . 30179 1 107 . 1 1 12 12 PHE HD1 H 1 7.3470 0.0500 . 3 . . . . A 12 PHE HD1 . 30179 1 108 . 1 1 12 12 PHE CA C 13 60.070 0.200 . 1 . . . . A 12 PHE CA . 30179 1 109 . 1 1 12 12 PHE CB C 13 38.490 0.200 . 1 . . . . A 12 PHE CB . 30179 1 110 . 1 1 12 12 PHE N N 15 122.37 0.300 . 1 . . . . A 12 PHE N . 30179 1 111 . 1 1 13 13 ALA H H 1 7.7300 0.0500 . 1 . . . . A 13 ALA H . 30179 1 112 . 1 1 13 13 ALA HA H 1 4.0160 0.0500 . 1 . . . . A 13 ALA HA . 30179 1 113 . 1 1 13 13 ALA HB1 H 1 1.5220 0.0500 . 1 . . . . A 13 ALA HB1 . 30179 1 114 . 1 1 13 13 ALA HB2 H 1 1.5220 0.0500 . 1 . . . . A 13 ALA HB2 . 30179 1 115 . 1 1 13 13 ALA HB3 H 1 1.5220 0.0500 . 1 . . . . A 13 ALA HB3 . 30179 1 116 . 1 1 13 13 ALA C C 13 181.79 0.200 . 1 . . . . A 13 ALA C . 30179 1 117 . 1 1 13 13 ALA CA C 13 55.073 0.200 . 1 . . . . A 13 ALA CA . 30179 1 118 . 1 1 13 13 ALA CB C 13 17.942 0.200 . 1 . . . . A 13 ALA CB . 30179 1 119 . 1 1 13 13 ALA N N 15 119.04 0.300 . 1 . . . . A 13 ALA N . 30179 1 120 . 1 1 14 14 ARG H H 1 7.9280 0.0500 . 1 . . . . A 14 ARG H . 30179 1 121 . 1 1 14 14 ARG HA H 1 3.9370 0.0500 . 1 . . . . A 14 ARG HA . 30179 1 122 . 1 1 14 14 ARG HB2 H 1 1.9540 0.0500 . 2 . . . . A 14 ARG HB2 . 30179 1 123 . 1 1 14 14 ARG HG2 H 1 1.7370 0.0500 . 2 . . . . A 14 ARG HG2 . 30179 1 124 . 1 1 14 14 ARG HG3 H 1 1.4740 0.0500 . 2 . . . . A 14 ARG HG3 . 30179 1 125 . 1 1 14 14 ARG HD2 H 1 2.9430 0.0500 . 2 . . . . A 14 ARG HD2 . 30179 1 126 . 1 1 14 14 ARG CA C 13 59.787 0.200 . 1 . . . . A 14 ARG CA . 30179 1 127 . 1 1 14 14 ARG CB C 13 30.605 0.200 . 1 . . . . A 14 ARG CB . 30179 1 128 . 1 1 14 14 ARG CG C 13 27.685 0.200 . 1 . . . . A 14 ARG CG . 30179 1 129 . 1 1 14 14 ARG CD C 13 42.095 0.200 . 1 . . . . A 14 ARG CD . 30179 1 130 . 1 1 14 14 ARG N N 15 121.43 0.300 . 1 . . . . A 14 ARG N . 30179 1 131 . 1 1 15 15 CGU H H 1 8.4120 0.0500 . 1 . . . . A 15 CGU H . 30179 1 132 . 1 1 15 15 CGU N N 15 119.35 0.300 . 1 . . . . A 15 CGU N . 30179 1 133 . 1 1 15 15 CGU CA C 13 58.280 0.200 . 1 . . . . A 15 CGU CA . 30179 1 134 . 1 1 15 15 CGU CB C 13 31.945 0.200 . 1 . . . . A 15 CGU CB . 30179 1 135 . 1 1 15 15 CGU CG C 13 53.622 0.200 . 1 . . . . A 15 CGU CG . 30179 1 136 . 1 1 15 15 CGU HA H 1 4.0390 0.0500 . 1 . . . . A 15 CGU HA . 30179 1 137 . 1 1 15 15 CGU HB2 H 1 2.5260 0.0500 . 2 . . . . A 15 CGU HB2 . 30179 1 138 . 1 1 15 15 CGU HB3 H 1 2.2000 0.0500 . 2 . . . . A 15 CGU HB3 . 30179 1 139 . 1 1 15 15 CGU HG H 1 3.7120 0.0500 . 2 . . . . A 15 CGU HG . 30179 1 140 . 1 1 16 16 LEU H H 1 7.9450 0.0500 . 1 . . . . A 16 LEU H . 30179 1 141 . 1 1 16 16 LEU HA H 1 4.0110 0.0500 . 1 . . . . A 16 LEU HA . 30179 1 142 . 1 1 16 16 LEU HB2 H 1 1.5990 0.0500 . 2 . . . . A 16 LEU HB2 . 30179 1 143 . 1 1 16 16 LEU HB3 H 1 1.4900 0.0500 . 2 . . . . A 16 LEU HB3 . 30179 1 144 . 1 1 16 16 LEU HG H 1 1.5020 0.0500 . 1 . . . . A 16 LEU HG . 30179 1 145 . 1 1 16 16 LEU HD11 H 1 0.77600 0.0500 . 2 . . . . A 16 LEU HD11 . 30179 1 146 . 1 1 16 16 LEU HD12 H 1 0.77600 0.0500 . 2 . . . . A 16 LEU HD12 . 30179 1 147 . 1 1 16 16 LEU HD13 H 1 0.77600 0.0500 . 2 . . . . A 16 LEU HD13 . 30179 1 148 . 1 1 16 16 LEU HD21 H 1 0.70200 0.0500 . 2 . . . . A 16 LEU HD21 . 30179 1 149 . 1 1 16 16 LEU HD22 H 1 0.70200 0.0500 . 2 . . . . A 16 LEU HD22 . 30179 1 150 . 1 1 16 16 LEU HD23 H 1 0.70200 0.0500 . 2 . . . . A 16 LEU HD23 . 30179 1 151 . 1 1 16 16 LEU CA C 13 57.239 0.200 . 1 . . . . A 16 LEU CA . 30179 1 152 . 1 1 16 16 LEU CB C 13 42.099 0.200 . 1 . . . . A 16 LEU CB . 30179 1 153 . 1 1 16 16 LEU CG C 13 26.691 0.200 . 1 . . . . A 16 LEU CG . 30179 1 154 . 1 1 16 16 LEU CD1 C 13 23.551 0.200 . 2 . . . . A 16 LEU CD1 . 30179 1 155 . 1 1 16 16 LEU CD2 C 13 24.791 0.200 . 2 . . . . A 16 LEU CD2 . 30179 1 156 . 1 1 16 16 LEU N N 15 120.20 0.300 . 1 . . . . A 16 LEU N . 30179 1 157 . 1 1 17 17 ALA H H 1 7.6810 0.0500 . 1 . . . . A 17 ALA H . 30179 1 158 . 1 1 17 17 ALA HA H 1 4.1690 0.0500 . 1 . . . . A 17 ALA HA . 30179 1 159 . 1 1 17 17 ALA HB1 H 1 1.4410 0.0500 . 1 . . . . A 17 ALA HB1 . 30179 1 160 . 1 1 17 17 ALA HB2 H 1 1.4410 0.0500 . 1 . . . . A 17 ALA HB2 . 30179 1 161 . 1 1 17 17 ALA HB3 H 1 1.4410 0.0500 . 1 . . . . A 17 ALA HB3 . 30179 1 162 . 1 1 17 17 ALA C C 13 178.50 0.200 . 1 . . . . A 17 ALA C . 30179 1 163 . 1 1 17 17 ALA CA C 13 53.462 0.200 . 1 . . . . A 17 ALA CA . 30179 1 164 . 1 1 17 17 ALA CB C 13 18.320 0.200 . 1 . . . . A 17 ALA CB . 30179 1 165 . 1 1 17 17 ALA N N 15 120.81 0.300 . 1 . . . . A 17 ALA N . 30179 1 166 . 1 1 18 18 ASN H H 1 7.7320 0.0500 . 1 . . . . A 18 ASN H . 30179 1 167 . 1 1 18 18 ASN HA H 1 4.6210 0.0500 . 1 . . . . A 18 ASN HA . 30179 1 168 . 1 1 18 18 ASN HB2 H 1 2.7580 0.0500 . 2 . . . . A 18 ASN HB2 . 30179 1 169 . 1 1 18 18 ASN HB3 H 1 2.6830 0.0500 . 2 . . . . A 18 ASN HB3 . 30179 1 170 . 1 1 18 18 ASN HD21 H 1 7.6030 0.0500 . 2 . . . . A 18 ASN HD21 . 30179 1 171 . 1 1 18 18 ASN HD22 H 1 6.8380 0.0500 . 2 . . . . A 18 ASN HD22 . 30179 1 172 . 1 1 18 18 ASN CA C 13 53.890 0.200 . 1 . . . . A 18 ASN CA . 30179 1 173 . 1 1 18 18 ASN CB C 13 39.083 0.200 . 1 . . . . A 18 ASN CB . 30179 1 174 . 1 1 18 18 ASN N N 15 115.94 0.300 . 1 . . . . A 18 ASN N . 30179 1 175 . 1 1 18 18 ASN ND2 N 15 113.28 0.300 . 1 . . . . A 18 ASN ND2 . 30179 1 176 . 1 1 19 19 TYR H H 1 7.7690 0.0500 . 1 . . . . A 19 TYR H . 30179 1 177 . 1 1 19 19 TYR HA H 1 4.4510 0.0500 . 1 . . . . A 19 TYR HA . 30179 1 178 . 1 1 19 19 TYR HB2 H 1 3.1240 0.0500 . 2 . . . . A 19 TYR HB2 . 30179 1 179 . 1 1 19 19 TYR HB3 H 1 3.0640 0.0500 . 2 . . . . A 19 TYR HB3 . 30179 1 180 . 1 1 19 19 TYR HD1 H 1 7.1970 0.0500 . 3 . . . . A 19 TYR HD1 . 30179 1 181 . 1 1 19 19 TYR HE1 H 1 6.8480 0.0500 . 3 . . . . A 19 TYR HE1 . 30179 1 182 . 1 1 19 19 TYR CA C 13 58.590 0.200 . 1 . . . . A 19 TYR CA . 30179 1 183 . 1 1 19 19 TYR CB C 13 38.693 0.200 . 1 . . . . A 19 TYR CB . 30179 1 184 . 1 1 19 19 TYR CD1 C 13 133.06 0.200 . 3 . . . . A 19 TYR CD1 . 30179 1 185 . 1 1 19 19 TYR CE1 C 13 118.04 0.200 . 3 . . . . A 19 TYR CE1 . 30179 1 186 . 1 1 19 19 TYR N N 15 120.69 0.300 . 1 . . . . A 19 TYR N . 30179 1 187 . 1 1 20 20 NH2 N N 15 107.89 0.300 . 1 . . . . A 20 NH2 N . 30179 1 188 . 1 1 20 20 NH2 HN1 H 1 7.3860 0.0500 . 2 . . . . A 20 NH2 HN1 . 30179 1 189 . 1 1 20 20 NH2 HN2 H 1 7.0720 0.0500 . 2 . . . . A 20 NH2 HN2 . 30179 1 stop_ save_