################################### # 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 30176 _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' . . . 30176 1 2 '2D 1H-1H TOCSY' . . . 30176 1 3 '2D DQF-COSY' . . . 30176 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 3.9420 0.0500 . 2 . . . . A 1 GLY HA2 . 30176 1 2 . 1 1 1 1 GLY HA3 H 1 4.0190 0.0500 . 2 . . . . A 1 GLY HA3 . 30176 1 3 . 1 1 1 1 GLY CA C 13 43.406 0.200 . 1 . . . . A 1 GLY CA . 30176 1 4 . 1 1 2 2 GLU H H 1 8.9450 0.0500 . 1 . . . . A 2 GLU H . 30176 1 5 . 1 1 2 2 GLU HA H 1 4.0280 0.0500 . 1 . . . . A 2 GLU HA . 30176 1 6 . 1 1 2 2 GLU HB2 H 1 2.0980 0.0500 . 2 . . . . A 2 GLU HB2 . 30176 1 7 . 1 1 2 2 GLU HG2 H 1 2.3810 0.0500 . 2 . . . . A 2 GLU HG2 . 30176 1 8 . 1 1 2 2 GLU HG3 H 1 2.3590 0.0500 . 2 . . . . A 2 GLU HG3 . 30176 1 9 . 1 1 2 2 GLU CA C 13 57.923 0.200 . 1 . . . . A 2 GLU CA . 30176 1 10 . 1 1 2 2 GLU CB C 13 33.017 0.200 . 1 . . . . A 2 GLU CB . 30176 1 11 . 1 1 2 2 GLU CG C 13 59.853 0.200 . 1 . . . . A 2 GLU CG . 30176 1 12 . 1 1 3 3 CGU H H 1 9.1280 0.0500 . 1 . . . . A 3 CGU H . 30176 1 13 . 1 1 3 3 CGU N N 15 121.13 0.300 . 1 . . . . A 3 CGU N . 30176 1 14 . 1 1 3 3 CGU CA C 13 57.923 0.200 . 1 . . . . A 3 CGU CA . 30176 1 15 . 1 1 3 3 CGU CB C 13 30.300 0.200 . 1 . . . . A 3 CGU CB . 30176 1 16 . 1 1 3 3 CGU CG C 13 54.290 0.200 . 1 . . . . A 3 CGU CG . 30176 1 17 . 1 1 3 3 CGU HA H 1 4.4210 0.0500 . 1 . . . . A 3 CGU HA . 30176 1 18 . 1 1 3 3 CGU HB2 H 1 2.1730 0.0500 . 2 . . . . A 3 CGU HB2 . 30176 1 19 . 1 1 3 3 CGU HB3 H 1 1.8950 0.0500 . 2 . . . . A 3 CGU HB3 . 30176 1 20 . 1 1 3 3 CGU HG H 1 3.5160 0.0500 . 2 . . . . A 3 CGU HG . 30176 1 21 . 1 1 4 4 CGU H H 1 7.8770 0.0500 . 1 . . . . A 4 CGU H . 30176 1 22 . 1 1 4 4 CGU N N 15 119.61 0.300 . 1 . . . . A 4 CGU N . 30176 1 23 . 1 1 4 4 CGU CA C 13 59.512 0.200 . 1 . . . . A 4 CGU CA . 30176 1 24 . 1 1 4 4 CGU CB C 13 33.017 0.200 . 1 . . . . A 4 CGU CB . 30176 1 25 . 1 1 4 4 CGU CG C 13 59.853 0.200 . 1 . . . . A 4 CGU CG . 30176 1 26 . 1 1 4 4 CGU HA H 1 3.9640 0.0500 . 1 . . . . A 4 CGU HA . 30176 1 27 . 1 1 4 4 CGU HB2 H 1 2.4370 0.0500 . 2 . . . . A 4 CGU HB2 . 30176 1 28 . 1 1 4 4 CGU HB3 H 1 2.0520 0.0500 . 2 . . . . A 4 CGU HB3 . 30176 1 29 . 1 1 4 4 CGU HG H 1 3.2410 0.0500 . 2 . . . . A 4 CGU HG . 30176 1 30 . 1 1 5 5 LEU H H 1 7.5000 0.0500 . 1 . . . . A 5 LEU H . 30176 1 31 . 1 1 5 5 LEU HA H 1 4.1090 0.0500 . 1 . . . . A 5 LEU HA . 30176 1 32 . 1 1 5 5 LEU HB2 H 1 1.8230 0.0500 . 2 . . . . A 5 LEU HB2 . 30176 1 33 . 1 1 5 5 LEU HB3 H 1 1.5710 0.0500 . 2 . . . . A 5 LEU HB3 . 30176 1 34 . 1 1 5 5 LEU HG H 1 1.7650 0.0500 . 1 . . . . A 5 LEU HG . 30176 1 35 . 1 1 5 5 LEU HD11 H 1 0.90000 0.0500 . 2 . . . . A 5 LEU HD11 . 30176 1 36 . 1 1 5 5 LEU HD12 H 1 0.90000 0.0500 . 2 . . . . A 5 LEU HD12 . 30176 1 37 . 1 1 5 5 LEU HD13 H 1 0.90000 0.0500 . 2 . . . . A 5 LEU HD13 . 30176 1 38 . 1 1 5 5 LEU HD21 H 1 0.87200 0.0500 . 2 . . . . A 5 LEU HD21 . 30176 1 39 . 1 1 5 5 LEU HD22 H 1 0.87200 0.0500 . 2 . . . . A 5 LEU HD22 . 30176 1 40 . 1 1 5 5 LEU HD23 H 1 0.87200 0.0500 . 2 . . . . A 5 LEU HD23 . 30176 1 41 . 1 1 5 5 LEU CA C 13 57.468 0.200 . 1 . . . . A 5 LEU CA . 30176 1 42 . 1 1 5 5 LEU CB C 13 41.550 0.200 . 1 . . . . A 5 LEU CB . 30176 1 43 . 1 1 5 5 LEU CG C 13 26.819 0.200 . 1 . . . . A 5 LEU CG . 30176 1 44 . 1 1 5 5 LEU CD1 C 13 25.140 0.200 . 2 . . . . A 5 LEU CD1 . 30176 1 45 . 1 1 5 5 LEU CD2 C 13 23.270 0.200 . 2 . . . . A 5 LEU CD2 . 30176 1 46 . 1 1 5 5 LEU N N 15 118.55 0.300 . 1 . . . . A 5 LEU N . 30176 1 47 . 1 1 6 6 ALA H H 1 7.9300 0.0500 . 1 . . . . A 6 ALA H . 30176 1 48 . 1 1 6 6 ALA HA H 1 4.1000 0.0500 . 1 . . . . A 6 ALA HA . 30176 1 49 . 1 1 6 6 ALA HB1 H 1 1.4860 0.0500 . 1 . . . . A 6 ALA HB1 . 30176 1 50 . 1 1 6 6 ALA HB2 H 1 1.4860 0.0500 . 1 . . . . A 6 ALA HB2 . 30176 1 51 . 1 1 6 6 ALA HB3 H 1 1.4860 0.0500 . 1 . . . . A 6 ALA HB3 . 30176 1 52 . 1 1 6 6 ALA CA C 13 55.110 0.200 . 1 . . . . A 6 ALA CA . 30176 1 53 . 1 1 6 6 ALA CB C 13 18.090 0.200 . 1 . . . . A 6 ALA CB . 30176 1 54 . 1 1 6 6 ALA N N 15 123.76 0.300 . 1 . . . . A 6 ALA N . 30176 1 55 . 1 1 7 7 CGU H H 1 8.1030 0.0500 . 1 . . . . A 7 CGU H . 30176 1 56 . 1 1 7 7 CGU N N 15 117.16 0.300 . 1 . . . . A 7 CGU N . 30176 1 57 . 1 1 7 7 CGU CA C 13 57.352 0.200 . 1 . . . . A 7 CGU CA . 30176 1 58 . 1 1 7 7 CGU CB C 13 32.725 0.200 . 1 . . . . A 7 CGU CB . 30176 1 59 . 1 1 7 7 CGU CG C 13 54.151 0.200 . 1 . . . . A 7 CGU CG . 30176 1 60 . 1 1 7 7 CGU HA H 1 4.1410 0.0500 . 1 . . . . A 7 CGU HA . 30176 1 61 . 1 1 7 7 CGU HB3 H 1 2.2980 0.0500 . 2 . . . . A 7 CGU HB3 . 30176 1 62 . 1 1 7 7 CGU HG H 1 3.7480 0.0500 . 2 . . . . A 7 CGU HG . 30176 1 63 . 1 1 8 8 LYS H H 1 7.3970 0.0500 . 1 . . . . A 8 LYS H . 30176 1 64 . 1 1 8 8 LYS HA H 1 4.3450 0.0500 . 1 . . . . A 8 LYS HA . 30176 1 65 . 1 1 8 8 LYS HB2 H 1 1.6490 0.0500 . 2 . . . . A 8 LYS HB2 . 30176 1 66 . 1 1 8 8 LYS HB3 H 1 1.5990 0.0500 . 2 . . . . A 8 LYS HB3 . 30176 1 67 . 1 1 8 8 LYS HG2 H 1 1.5520 0.0500 . 2 . . . . A 8 LYS HG2 . 30176 1 68 . 1 1 8 8 LYS HG3 H 1 1.4570 0.0500 . 2 . . . . A 8 LYS HG3 . 30176 1 69 . 1 1 8 8 LYS HD2 H 1 1.7260 0.0500 . 2 . . . . A 8 LYS HD2 . 30176 1 70 . 1 1 8 8 LYS HD3 H 1 1.6570 0.0500 . 2 . . . . A 8 LYS HD3 . 30176 1 71 . 1 1 8 8 LYS HE2 H 1 2.9090 0.0500 . 2 . . . . A 8 LYS HE2 . 30176 1 72 . 1 1 8 8 LYS CA C 13 56.220 0.200 . 1 . . . . A 8 LYS CA . 30176 1 73 . 1 1 8 8 LYS CB C 13 28.970 0.200 . 1 . . . . A 8 LYS CB . 30176 1 74 . 1 1 8 8 LYS CG C 13 25.177 0.200 . 1 . . . . A 8 LYS CG . 30176 1 75 . 1 1 8 8 LYS CD C 13 33.301 0.200 . 1 . . . . A 8 LYS CD . 30176 1 76 . 1 1 8 8 LYS CE C 13 42.194 0.200 . 1 . . . . A 8 LYS CE . 30176 1 77 . 1 1 8 8 LYS N N 15 116.95 0.300 . 1 . . . . A 8 LYS N . 30176 1 78 . 1 1 9 9 ALA H H 1 7.6650 0.0500 . 1 . . . . A 9 ALA H . 30176 1 79 . 1 1 9 9 ALA HA H 1 4.1720 0.0500 . 1 . . . . A 9 ALA HA . 30176 1 80 . 1 1 9 9 ALA HB1 H 1 1.4220 0.0500 . 1 . . . . A 9 ALA HB1 . 30176 1 81 . 1 1 9 9 ALA HB2 H 1 1.4220 0.0500 . 1 . . . . A 9 ALA HB2 . 30176 1 82 . 1 1 9 9 ALA HB3 H 1 1.4220 0.0500 . 1 . . . . A 9 ALA HB3 . 30176 1 83 . 1 1 9 9 ALA CA C 13 53.420 0.200 . 1 . . . . A 9 ALA CA . 30176 1 84 . 1 1 9 9 ALA CB C 13 18.120 0.200 . 1 . . . . A 9 ALA CB . 30176 1 85 . 1 1 9 9 ALA N N 15 120.90 0.300 . 1 . . . . A 9 ALA N . 30176 1 86 . 1 1 10 10 PRO HA H 1 4.4240 0.0500 . 1 . . . . A 10 PRO HA . 30176 1 87 . 1 1 10 10 PRO HB2 H 1 2.3980 0.0500 . 2 . . . . A 10 PRO HB2 . 30176 1 88 . 1 1 10 10 PRO HB3 H 1 1.9170 0.0500 . 2 . . . . A 10 PRO HB3 . 30176 1 89 . 1 1 10 10 PRO HG2 H 1 2.1450 0.0500 . 2 . . . . A 10 PRO HG2 . 30176 1 90 . 1 1 10 10 PRO HG3 H 1 2.0190 0.0500 . 2 . . . . A 10 PRO HG3 . 30176 1 91 . 1 1 10 10 PRO HD2 H 1 3.7810 0.0500 . 2 . . . . A 10 PRO HD2 . 30176 1 92 . 1 1 10 10 PRO HD3 H 1 3.6670 0.0500 . 2 . . . . A 10 PRO HD3 . 30176 1 93 . 1 1 10 10 PRO CB C 13 31.417 0.200 . 1 . . . . A 10 PRO CB . 30176 1 94 . 1 1 10 10 PRO CG C 13 28.079 0.200 . 1 . . . . A 10 PRO CG . 30176 1 95 . 1 1 10 10 PRO CD C 13 50.506 0.200 . 1 . . . . A 10 PRO CD . 30176 1 96 . 1 1 11 11 CGU H H 1 7.9860 0.0500 . 1 . . . . A 11 CGU H . 30176 1 97 . 1 1 11 11 CGU N N 15 120.25 0.300 . 1 . . . . A 11 CGU N . 30176 1 98 . 1 1 11 11 CGU CA C 13 57.450 0.200 . 1 . . . . A 11 CGU CA . 30176 1 99 . 1 1 11 11 CGU CB C 13 30.320 0.200 . 1 . . . . A 11 CGU CB . 30176 1 100 . 1 1 11 11 CGU CG C 13 53.950 0.200 . 1 . . . . A 11 CGU CG . 30176 1 101 . 1 1 11 11 CGU HA H 1 4.5760 0.0500 . 1 . . . . A 11 CGU HA . 30176 1 102 . 1 1 11 11 CGU HB2 H 1 2.1840 0.0500 . 2 . . . . A 11 CGU HB2 . 30176 1 103 . 1 1 11 11 CGU HB3 H 1 2.0220 0.0500 . 2 . . . . A 11 CGU HB3 . 30176 1 104 . 1 1 11 11 CGU HG H 1 3.6400 0.0500 . 2 . . . . A 11 CGU HG . 30176 1 105 . 1 1 12 12 PHE H H 1 8.2500 0.0500 . 1 . . . . A 12 PHE H . 30176 1 106 . 1 1 12 12 PHE HA H 1 4.4820 0.0500 . 1 . . . . A 12 PHE HA . 30176 1 107 . 1 1 12 12 PHE HB2 H 1 3.1980 0.0500 . 2 . . . . A 12 PHE HB2 . 30176 1 108 . 1 1 12 12 PHE HD1 H 1 7.3040 0.0500 . 3 . . . . A 12 PHE HD1 . 30176 1 109 . 1 1 12 12 PHE HE1 H 1 7.3710 0.0500 . 3 . . . . A 12 PHE HE1 . 30176 1 110 . 1 1 12 12 PHE HZ H 1 7.2970 0.0500 . 1 . . . . A 12 PHE HZ . 30176 1 111 . 1 1 12 12 PHE CA C 13 59.500 0.200 . 1 . . . . A 12 PHE CA . 30176 1 112 . 1 1 12 12 PHE CB C 13 38.201 0.200 . 1 . . . . A 12 PHE CB . 30176 1 113 . 1 1 12 12 PHE CD1 C 13 131.36 0.200 . 3 . . . . A 12 PHE CD1 . 30176 1 114 . 1 1 12 12 PHE CE1 C 13 131.36 0.200 . 3 . . . . A 12 PHE CE1 . 30176 1 115 . 1 1 12 12 PHE CZ C 13 129.69 0.200 . 1 . . . . A 12 PHE CZ . 30176 1 116 . 1 1 12 12 PHE N N 15 121.38 0.300 . 1 . . . . A 12 PHE N . 30176 1 117 . 1 1 13 13 ALA H H 1 7.7890 0.0500 . 1 . . . . A 13 ALA H . 30176 1 118 . 1 1 13 13 ALA HA H 1 4.0490 0.0500 . 1 . . . . A 13 ALA HA . 30176 1 119 . 1 1 13 13 ALA HB1 H 1 1.4710 0.0500 . 1 . . . . A 13 ALA HB1 . 30176 1 120 . 1 1 13 13 ALA HB2 H 1 1.4710 0.0500 . 1 . . . . A 13 ALA HB2 . 30176 1 121 . 1 1 13 13 ALA HB3 H 1 1.4710 0.0500 . 1 . . . . A 13 ALA HB3 . 30176 1 122 . 1 1 13 13 ALA CA C 13 54.910 0.200 . 1 . . . . A 13 ALA CA . 30176 1 123 . 1 1 13 13 ALA CB C 13 17.870 0.200 . 1 . . . . A 13 ALA CB . 30176 1 124 . 1 1 13 13 ALA N N 15 119.86 0.300 . 1 . . . . A 13 ALA N . 30176 1 125 . 1 1 14 14 ARG H H 1 7.8450 0.0500 . 1 . . . . A 14 ARG H . 30176 1 126 . 1 1 14 14 ARG HA H 1 3.9230 0.0500 . 1 . . . . A 14 ARG HA . 30176 1 127 . 1 1 14 14 ARG HB2 H 1 1.9430 0.0500 . 2 . . . . A 14 ARG HB2 . 30176 1 128 . 1 1 14 14 ARG HB3 H 1 1.9280 0.0500 . 2 . . . . A 14 ARG HB3 . 30176 1 129 . 1 1 14 14 ARG HG2 H 1 1.6830 0.0500 . 2 . . . . A 14 ARG HG2 . 30176 1 130 . 1 1 14 14 ARG HG3 H 1 1.4560 0.0500 . 2 . . . . A 14 ARG HG3 . 30176 1 131 . 1 1 14 14 ARG HD2 H 1 3.0110 0.0500 . 2 . . . . A 14 ARG HD2 . 30176 1 132 . 1 1 14 14 ARG CA C 13 59.440 0.200 . 1 . . . . A 14 ARG CA . 30176 1 133 . 1 1 14 14 ARG CB C 13 30.398 0.200 . 1 . . . . A 14 ARG CB . 30176 1 134 . 1 1 14 14 ARG CG C 13 27.284 0.200 . 1 . . . . A 14 ARG CG . 30176 1 135 . 1 1 14 14 ARG CD C 13 42.478 0.200 . 1 . . . . A 14 ARG CD . 30176 1 136 . 1 1 14 14 ARG N N 15 121.76 0.300 . 1 . . . . A 14 ARG N . 30176 1 137 . 1 1 15 15 CGU H H 1 8.3650 0.0500 . 1 . . . . A 15 CGU H . 30176 1 138 . 1 1 15 15 CGU N N 15 118.75 0.300 . 1 . . . . A 15 CGU N . 30176 1 139 . 1 1 15 15 CGU CA C 13 58.228 0.200 . 1 . . . . A 15 CGU CA . 30176 1 140 . 1 1 15 15 CGU CB C 13 32.175 0.200 . 1 . . . . A 15 CGU CB . 30176 1 141 . 1 1 15 15 CGU CG C 13 53.785 0.200 . 1 . . . . A 15 CGU CG . 30176 1 142 . 1 1 15 15 CGU HA H 1 4.0350 0.0500 . 1 . . . . A 15 CGU HA . 30176 1 143 . 1 1 15 15 CGU HB2 H 1 2.4860 0.0500 . 2 . . . . A 15 CGU HB2 . 30176 1 144 . 1 1 15 15 CGU HB3 H 1 2.2370 0.0500 . 2 . . . . A 15 CGU HB3 . 30176 1 145 . 1 1 15 15 CGU HG H 1 3.7220 0.0500 . 2 . . . . A 15 CGU HG . 30176 1 146 . 1 1 16 16 LEU H H 1 7.8140 0.0500 . 1 . . . . A 16 LEU H . 30176 1 147 . 1 1 16 16 LEU HA H 1 4.0640 0.0500 . 1 . . . . A 16 LEU HA . 30176 1 148 . 1 1 16 16 LEU HB2 H 1 1.6660 0.0500 . 2 . . . . A 16 LEU HB2 . 30176 1 149 . 1 1 16 16 LEU HB3 H 1 1.5570 0.0500 . 2 . . . . A 16 LEU HB3 . 30176 1 150 . 1 1 16 16 LEU HG H 1 1.6280 0.0500 . 1 . . . . A 16 LEU HG . 30176 1 151 . 1 1 16 16 LEU HD11 H 1 0.81700 0.0500 . 2 . . . . A 16 LEU HD11 . 30176 1 152 . 1 1 16 16 LEU HD12 H 1 0.81700 0.0500 . 2 . . . . A 16 LEU HD12 . 30176 1 153 . 1 1 16 16 LEU HD13 H 1 0.81700 0.0500 . 2 . . . . A 16 LEU HD13 . 30176 1 154 . 1 1 16 16 LEU HD21 H 1 0.77300 0.200 . 2 . . . . A 16 LEU HD21 . 30176 1 155 . 1 1 16 16 LEU HD22 H 1 0.77300 0.200 . 2 . . . . A 16 LEU HD22 . 30176 1 156 . 1 1 16 16 LEU HD23 H 1 0.77300 0.200 . 2 . . . . A 16 LEU HD23 . 30176 1 157 . 1 1 16 16 LEU CA C 13 57.085 0.200 . 1 . . . . A 16 LEU CA . 30176 1 158 . 1 1 16 16 LEU CB C 13 42.100 0.200 . 1 . . . . A 16 LEU CB . 30176 1 159 . 1 1 16 16 LEU CG C 13 26.745 0.200 . 1 . . . . A 16 LEU CG . 30176 1 160 . 1 1 16 16 LEU CD1 C 13 23.650 0.200 . 2 . . . . A 16 LEU CD1 . 30176 1 161 . 1 1 16 16 LEU CD2 C 13 24.810 0.200 . 2 . . . . A 16 LEU CD2 . 30176 1 162 . 1 1 16 16 LEU N N 15 119.10 0.300 . 1 . . . . A 16 LEU N . 30176 1 163 . 1 1 17 17 ALA H H 1 7.6910 0.0500 . 1 . . . . A 17 ALA H . 30176 1 164 . 1 1 17 17 ALA HA H 1 4.1770 0.0500 . 1 . . . . A 17 ALA HA . 30176 1 165 . 1 1 17 17 ALA HB1 H 1 1.4330 0.0500 . 1 . . . . A 17 ALA HB1 . 30176 1 166 . 1 1 17 17 ALA HB2 H 1 1.4330 0.0500 . 1 . . . . A 17 ALA HB2 . 30176 1 167 . 1 1 17 17 ALA HB3 H 1 1.4330 0.0500 . 1 . . . . A 17 ALA HB3 . 30176 1 168 . 1 1 17 17 ALA CA C 13 53.630 0.200 . 1 . . . . A 17 ALA CA . 30176 1 169 . 1 1 17 17 ALA CB C 13 18.410 0.200 . 1 . . . . A 17 ALA CB . 30176 1 170 . 1 1 17 17 ALA N N 15 120.90 0.300 . 1 . . . . A 17 ALA N . 30176 1 171 . 1 1 18 18 ASN H H 1 7.7480 0.0500 . 1 . . . . A 18 ASN H . 30176 1 172 . 1 1 18 18 ASN HA H 1 4.6330 0.0500 . 1 . . . . A 18 ASN HA . 30176 1 173 . 1 1 18 18 ASN HB2 H 1 2.7670 0.0500 . 2 . . . . A 18 ASN HB2 . 30176 1 174 . 1 1 18 18 ASN HB3 H 1 2.6650 0.0500 . 2 . . . . A 18 ASN HB3 . 30176 1 175 . 1 1 18 18 ASN HD21 H 1 7.5950 0.0500 . 2 . . . . A 18 ASN HD21 . 30176 1 176 . 1 1 18 18 ASN HD22 H 1 6.8330 0.0500 . 2 . . . . A 18 ASN HD22 . 30176 1 177 . 1 1 18 18 ASN CA C 13 53.791 0.200 . 1 . . . . A 18 ASN CA . 30176 1 178 . 1 1 18 18 ASN CB C 13 39.144 0.200 . 1 . . . . A 18 ASN CB . 30176 1 179 . 1 1 18 18 ASN N N 15 116.04 0.300 . 1 . . . . A 18 ASN N . 30176 1 180 . 1 1 18 18 ASN ND2 N 15 113.25 0.300 . 1 . . . . A 18 ASN ND2 . 30176 1 181 . 1 1 19 19 TYR H H 1 7.7830 0.0500 . 1 . . . . A 19 TYR H . 30176 1 182 . 1 1 19 19 TYR HA H 1 4.4580 0.0500 . 1 . . . . A 19 TYR HA . 30176 1 183 . 1 1 19 19 TYR HB2 H 1 3.1260 0.0500 . 2 . . . . A 19 TYR HB2 . 30176 1 184 . 1 1 19 19 TYR HB3 H 1 3.0620 0.0500 . 2 . . . . A 19 TYR HB3 . 30176 1 185 . 1 1 19 19 TYR HD1 H 1 7.2900 0.0500 . 3 . . . . A 19 TYR HD1 . 30176 1 186 . 1 1 19 19 TYR HE1 H 1 6.8580 0.0500 . 3 . . . . A 19 TYR HE1 . 30176 1 187 . 1 1 19 19 TYR CA C 13 58.295 0.200 . 1 . . . . A 19 TYR CA . 30176 1 188 . 1 1 19 19 TYR CB C 13 38.720 0.200 . 1 . . . . A 19 TYR CB . 30176 1 189 . 1 1 19 19 TYR CD1 C 13 133.07 0.200 . 3 . . . . A 19 TYR CD1 . 30176 1 190 . 1 1 19 19 TYR CE1 C 13 118.20 0.200 . 3 . . . . A 19 TYR CE1 . 30176 1 191 . 1 1 19 19 TYR N N 15 121.71 0.300 . 1 . . . . A 19 TYR N . 30176 1 192 . 1 1 20 20 NH2 N N 15 108.08 0.300 . 1 . . . . A 20 NH2 N . 30176 1 193 . 1 1 20 20 NH2 HN1 H 1 7.4010 0.0500 . 2 . . . . A 20 NH2 HN1 . 30176 1 194 . 1 1 20 20 NH2 HN2 H 1 7.0600 0.0500 . 2 . . . . A 20 NH2 HN2 . 30176 1 stop_ save_