################################### # 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 30178 _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 1H-1H NOESY' . . . 30178 1 2 '2D 1H-1H TOCSY' . . . 30178 1 3 '2D DQF-COSY' . . . 30178 1 4 '2D 1H-15N HSQC' . . . 30178 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 3.9660 0.0500 . 2 . . . . A 1 GLY HA2 . 30178 1 2 . 1 1 1 1 GLY HA3 H 1 4.0510 0.0500 . 2 . . . . A 1 GLY HA3 . 30178 1 3 . 1 1 1 1 GLY CA C 13 43.423 0.200 . 1 . . . . A 1 GLY CA . 30178 1 4 . 1 1 2 2 GLU H H 1 9.0880 0.0500 . 1 . . . . A 2 GLU H . 30178 1 5 . 1 1 2 2 GLU HA H 1 4.0090 0.0500 . 1 . . . . A 2 GLU HA . 30178 1 6 . 1 1 2 2 GLU HB2 H 1 2.1070 0.0500 . 2 . . . . A 2 GLU HB2 . 30178 1 7 . 1 1 2 2 GLU HG2 H 1 2.3940 0.0500 . 2 . . . . A 2 GLU HG2 . 30178 1 8 . 1 1 2 2 GLU HG3 H 1 2.3710 0.0500 . 2 . . . . A 2 GLU HG3 . 30178 1 9 . 1 1 2 2 GLU C C 13 179.45 0.200 . 1 . . . . A 2 GLU C . 30178 1 10 . 1 1 2 2 GLU CA C 13 60.018 0.200 . 1 . . . . A 2 GLU CA . 30178 1 11 . 1 1 2 2 GLU CB C 13 29.652 0.200 . 1 . . . . A 2 GLU CB . 30178 1 12 . 1 1 2 2 GLU CG C 13 36.452 0.200 . 1 . . . . A 2 GLU CG . 30178 1 13 . 1 1 2 2 GLU N N 15 121.83 0.300 . 1 . . . . A 2 GLU N . 30178 1 14 . 1 1 3 3 CGU H H 1 9.1670 0.0500 . 1 . . . . A 3 CGU H . 30178 1 15 . 1 1 3 3 CGU C C 13 179.42 0.200 . 1 . . . . A 3 CGU C . 30178 1 16 . 1 1 3 3 CGU N N 15 121.23 0.300 . 1 . . . . A 3 CGU N . 30178 1 17 . 1 1 3 3 CGU CA C 13 57.618 0.200 . 1 . . . . A 3 CGU CA . 30178 1 18 . 1 1 3 3 CGU CB C 13 30.070 0.200 . 1 . . . . A 3 CGU CB . 30178 1 19 . 1 1 3 3 CGU CG C 13 54.174 0.200 . 1 . . . . A 3 CGU CG . 30178 1 20 . 1 1 3 3 CGU HA H 1 4.4700 0.0500 . 1 . . . . A 3 CGU HA . 30178 1 21 . 1 1 3 3 CGU HB2 H 1 1.8890 0.0500 . 2 . . . . A 3 CGU HB2 . 30178 1 22 . 1 1 3 3 CGU HB3 H 1 2.2100 0.0500 . 2 . . . . A 3 CGU HB3 . 30178 1 23 . 1 1 3 3 CGU HG H 1 3.5470 0.0500 . 2 . . . . A 3 CGU HG . 30178 1 24 . 1 1 4 4 CGU H H 1 7.9820 0.0500 . 1 . . . . A 4 CGU H . 30178 1 25 . 1 1 4 4 CGU C C 13 178.13 0.200 . 1 . . . . A 4 CGU C . 30178 1 26 . 1 1 4 4 CGU N N 15 120.22 0.300 . 1 . . . . A 4 CGU N . 30178 1 27 . 1 1 4 4 CGU CA C 13 60.017 0.200 . 1 . . . . A 4 CGU CA . 30178 1 28 . 1 1 4 4 CGU CB C 13 33.254 0.200 . 1 . . . . A 4 CGU CB . 30178 1 29 . 1 1 4 4 CGU CG C 13 60.027 0.200 . 1 . . . . A 4 CGU CG . 30178 1 30 . 1 1 4 4 CGU HA H 1 4.0090 0.0500 . 1 . . . . A 4 CGU HA . 30178 1 31 . 1 1 4 4 CGU HB2 H 1 2.0540 0.0500 . 2 . . . . A 4 CGU HB2 . 30178 1 32 . 1 1 4 4 CGU HB3 H 1 2.4970 0.0500 . 2 . . . . A 4 CGU HB3 . 30178 1 33 . 1 1 4 4 CGU HG H 1 3.2210 0.0500 . 2 . . . . A 4 CGU HG . 30178 1 34 . 1 1 5 5 LEU H H 1 7.6430 0.0500 . 1 . . . . A 5 LEU H . 30178 1 35 . 1 1 5 5 LEU HA H 1 4.0740 0.0500 . 1 . . . . A 5 LEU HA . 30178 1 36 . 1 1 5 5 LEU HB2 H 1 1.9120 0.0500 . 2 . . . . A 5 LEU HB2 . 30178 1 37 . 1 1 5 5 LEU HB3 H 1 1.5510 0.0500 . 2 . . . . A 5 LEU HB3 . 30178 1 38 . 1 1 5 5 LEU HG H 1 1.8390 0.0500 . 1 . . . . A 5 LEU HG . 30178 1 39 . 1 1 5 5 LEU HD11 H 1 0.91400 0.0500 . 2 . . . . A 5 LEU HD11 . 30178 1 40 . 1 1 5 5 LEU HD12 H 1 0.91400 0.0500 . 2 . . . . A 5 LEU HD12 . 30178 1 41 . 1 1 5 5 LEU HD13 H 1 0.91400 0.0500 . 2 . . . . A 5 LEU HD13 . 30178 1 42 . 1 1 5 5 LEU HD21 H 1 0.88200 0.0500 . 2 . . . . A 5 LEU HD21 . 30178 1 43 . 1 1 5 5 LEU HD22 H 1 0.88200 0.0500 . 2 . . . . A 5 LEU HD22 . 30178 1 44 . 1 1 5 5 LEU HD23 H 1 0.88200 0.0500 . 2 . . . . A 5 LEU HD23 . 30178 1 45 . 1 1 5 5 LEU C C 13 177.19 0.200 . 1 . . . . A 5 LEU C . 30178 1 46 . 1 1 5 5 LEU CA C 13 57.892 0.200 . 1 . . . . A 5 LEU CA . 30178 1 47 . 1 1 5 5 LEU CB C 13 41.467 0.200 . 1 . . . . A 5 LEU CB . 30178 1 48 . 1 1 5 5 LEU CG C 13 26.775 0.200 . 1 . . . . A 5 LEU CG . 30178 1 49 . 1 1 5 5 LEU CD1 C 13 25.380 0.200 . 2 . . . . A 5 LEU CD1 . 30178 1 50 . 1 1 5 5 LEU CD2 C 13 23.060 0.200 . 2 . . . . A 5 LEU CD2 . 30178 1 51 . 1 1 5 5 LEU N N 15 118.87 0.300 . 1 . . . . A 5 LEU N . 30178 1 52 . 1 1 6 6 ALA H H 1 8.0290 0.0500 . 1 . . . . A 6 ALA H . 30178 1 53 . 1 1 6 6 ALA HA H 1 4.1840 0.0500 . 1 . . . . A 6 ALA HA . 30178 1 54 . 1 1 6 6 ALA HB1 H 1 1.5430 0.0500 . 1 . . . . A 6 ALA HB1 . 30178 1 55 . 1 1 6 6 ALA HB2 H 1 1.5430 0.0500 . 1 . . . . A 6 ALA HB2 . 30178 1 56 . 1 1 6 6 ALA HB3 H 1 1.5430 0.0500 . 1 . . . . A 6 ALA HB3 . 30178 1 57 . 1 1 6 6 ALA C C 13 179.88 0.200 . 1 . . . . A 6 ALA C . 30178 1 58 . 1 1 6 6 ALA CA C 13 55.385 0.200 . 1 . . . . A 6 ALA CA . 30178 1 59 . 1 1 6 6 ALA CB C 13 17.920 0.200 . 1 . . . . A 6 ALA CB . 30178 1 60 . 1 1 6 6 ALA N N 15 124.87 0.200 . 1 . . . . A 6 ALA N . 30178 1 61 . 1 1 7 7 CGU H H 1 8.5230 0.300 . 1 . . . . A 7 CGU H . 30178 1 62 . 1 1 7 7 CGU C C 13 181.87 0.200 . 1 . . . . A 7 CGU C . 30178 1 63 . 1 1 7 7 CGU N N 15 120.40 0.300 . 1 . . . . A 7 CGU N . 30178 1 64 . 1 1 7 7 CGU CA C 13 58.229 0.200 . 1 . . . . A 7 CGU CA . 30178 1 65 . 1 1 7 7 CGU CB C 13 32.107 0.200 . 1 . . . . A 7 CGU CB . 30178 1 66 . 1 1 7 7 CGU CG C 13 53.402 0.200 . 1 . . . . A 7 CGU CG . 30178 1 67 . 1 1 7 7 CGU HA H 1 4.2540 0.0500 . 1 . . . . A 7 CGU HA . 30178 1 68 . 1 1 7 7 CGU HB2 H 1 2.2480 0.0500 . 2 . . . . A 7 CGU HB2 . 30178 1 69 . 1 1 7 7 CGU HB3 H 1 2.4470 0.0500 . 2 . . . . A 7 CGU HB3 . 30178 1 70 . 1 1 7 7 CGU HG H 1 3.7870 0.0500 . 2 . . . . A 7 CGU HG . 30178 1 71 . 1 1 8 8 LYS H H 1 7.9490 0.0500 . 1 . . . . A 8 LYS H . 30178 1 72 . 1 1 8 8 LYS HA H 1 4.1730 0.0500 . 1 . . . . A 8 LYS HA . 30178 1 73 . 1 1 8 8 LYS HB2 H 1 1.9600 0.0500 . 2 . . . . A 8 LYS HB2 . 30178 1 74 . 1 1 8 8 LYS HG2 H 1 1.4460 0.0500 . 2 . . . . A 8 LYS HG2 . 30178 1 75 . 1 1 8 8 LYS HD2 H 1 1.7160 0.0500 . 2 . . . . A 8 LYS HD2 . 30178 1 76 . 1 1 8 8 LYS HD3 H 1 1.6510 0.0500 . 2 . . . . A 8 LYS HD3 . 30178 1 77 . 1 1 8 8 LYS HE2 H 1 2.9690 0.0500 . 2 . . . . A 8 LYS HE2 . 30178 1 78 . 1 1 8 8 LYS C C 13 180.51 0.200 . 1 . . . . A 8 LYS C . 30178 1 79 . 1 1 8 8 LYS CA C 13 59.581 0.200 . 1 . . . . A 8 LYS CA . 30178 1 80 . 1 1 8 8 LYS CB C 13 32.688 0.200 . 1 . . . . A 8 LYS CB . 30178 1 81 . 1 1 8 8 LYS CG C 13 25.709 0.200 . 1 . . . . A 8 LYS CG . 30178 1 82 . 1 1 8 8 LYS CD C 13 29.380 0.200 . 1 . . . . A 8 LYS CD . 30178 1 83 . 1 1 8 8 LYS N N 15 120.37 0.300 . 1 . . . . A 8 LYS N . 30178 1 84 . 1 1 9 9 ALA H H 1 8.3040 0.0500 . 1 . . . . A 9 ALA H . 30178 1 85 . 1 1 9 9 ALA HA H 1 4.2660 0.0500 . 1 . . . . A 9 ALA HA . 30178 1 86 . 1 1 9 9 ALA HB1 H 1 1.5610 0.0500 . 1 . . . . A 9 ALA HB1 . 30178 1 87 . 1 1 9 9 ALA HB2 H 1 1.5610 0.0500 . 1 . . . . A 9 ALA HB2 . 30178 1 88 . 1 1 9 9 ALA HB3 H 1 1.5610 0.0500 . 1 . . . . A 9 ALA HB3 . 30178 1 89 . 1 1 9 9 ALA C C 13 179.25 0.200 . 1 . . . . A 9 ALA C . 30178 1 90 . 1 1 9 9 ALA CA C 13 54.927 0.200 . 1 . . . . A 9 ALA CA . 30178 1 91 . 1 1 9 9 ALA CB C 13 17.924 0.200 . 1 . . . . A 9 ALA CB . 30178 1 92 . 1 1 9 9 ALA N N 15 123.10 0.200 . 1 . . . . A 9 ALA N . 30178 1 93 . 1 1 10 10 CGU H H 1 8.1700 0.300 . 1 . . . . A 10 CGU H . 30178 1 94 . 1 1 10 10 CGU C C 13 180.71 0.200 . 1 . . . . A 10 CGU C . 30178 1 95 . 1 1 10 10 CGU N N 15 120.22 0.300 . 1 . . . . A 10 CGU N . 30178 1 96 . 1 1 10 10 CGU CA C 13 57.315 0.200 . 1 . . . . A 10 CGU CA . 30178 1 97 . 1 1 10 10 CGU CB C 13 29.903 0.200 . 1 . . . . A 10 CGU CB . 30178 1 98 . 1 1 10 10 CGU CG C 13 53.170 0.200 . 1 . . . . A 10 CGU CG . 30178 1 99 . 1 1 10 10 CGU HA H 1 4.6370 0.0500 . 1 . . . . A 10 CGU HA . 30178 1 100 . 1 1 10 10 CGU HB2 H 1 2.1520 0.0500 . 2 . . . . A 10 CGU HB2 . 30178 1 101 . 1 1 10 10 CGU HB3 H 1 2.2140 0.0500 . 2 . . . . A 10 CGU HB3 . 30178 1 102 . 1 1 10 10 CGU HG H 1 3.7180 0.0500 . 2 . . . . A 10 CGU HG . 30178 1 103 . 1 1 11 11 PHE H H 1 8.2210 0.0500 . 1 . . . . A 11 PHE H . 30178 1 104 . 1 1 11 11 PHE HA H 1 4.3790 0.0500 . 1 . . . . A 11 PHE HA . 30178 1 105 . 1 1 11 11 PHE HB2 H 1 3.2920 0.0500 . 2 . . . . A 11 PHE HB2 . 30178 1 106 . 1 1 11 11 PHE HB3 H 1 3.1970 0.0500 . 2 . . . . A 11 PHE HB3 . 30178 1 107 . 1 1 11 11 PHE HD1 H 1 7.3640 0.0500 . 3 . . . . A 11 PHE HD1 . 30178 1 108 . 1 1 11 11 PHE HE1 H 1 7.3200 0.0500 . 3 . . . . A 11 PHE HE1 . 30178 1 109 . 1 1 11 11 PHE HZ H 1 7.3030 0.0500 . 1 . . . . A 11 PHE HZ . 30178 1 110 . 1 1 11 11 PHE C C 13 178.12 0.200 . 1 . . . . A 11 PHE C . 30178 1 111 . 1 1 11 11 PHE CA C 13 60.375 0.200 . 1 . . . . A 11 PHE CA . 30178 1 112 . 1 1 11 11 PHE CB C 13 38.839 0.200 . 1 . . . . A 11 PHE CB . 30178 1 113 . 1 1 11 11 PHE CE1 C 13 124.86 0.200 . 3 . . . . A 11 PHE CE1 . 30178 1 114 . 1 1 11 11 PHE CZ C 13 123.16 0.200 . 1 . . . . A 11 PHE CZ . 30178 1 115 . 1 1 11 11 PHE N N 15 122.62 0.300 . 1 . . . . A 11 PHE N . 30178 1 116 . 1 1 12 12 ALA H H 1 7.8610 0.0500 . 1 . . . . A 12 ALA H . 30178 1 117 . 1 1 12 12 ALA HA H 1 3.9490 0.0500 . 1 . . . . A 12 ALA HA . 30178 1 118 . 1 1 12 12 ALA HB1 H 1 1.5250 0.0500 . 1 . . . . A 12 ALA HB1 . 30178 1 119 . 1 1 12 12 ALA HB2 H 1 1.5250 0.0500 . 1 . . . . A 12 ALA HB2 . 30178 1 120 . 1 1 12 12 ALA HB3 H 1 1.5250 0.0500 . 1 . . . . A 12 ALA HB3 . 30178 1 121 . 1 1 12 12 ALA C C 13 180.43 0.200 . 1 . . . . A 12 ALA C . 30178 1 122 . 1 1 12 12 ALA CA C 13 54.931 0.200 . 1 . . . . A 12 ALA CA . 30178 1 123 . 1 1 12 12 ALA CB C 13 17.910 0.200 . 1 . . . . A 12 ALA CB . 30178 1 124 . 1 1 12 12 ALA N N 15 118.96 0.200 . 1 . . . . A 12 ALA N . 30178 1 125 . 1 1 13 13 ARG H H 1 7.9160 0.300 . 1 . . . . A 13 ARG H . 30178 1 126 . 1 1 13 13 ARG HA H 1 3.8980 0.0500 . 1 . . . . A 13 ARG HA . 30178 1 127 . 1 1 13 13 ARG HB2 H 1 1.9670 0.0500 . 2 . . . . A 13 ARG HB2 . 30178 1 128 . 1 1 13 13 ARG HB3 H 1 1.9270 0.0500 . 2 . . . . A 13 ARG HB3 . 30178 1 129 . 1 1 13 13 ARG HG2 H 1 1.6910 0.0500 . 2 . . . . A 13 ARG HG2 . 30178 1 130 . 1 1 13 13 ARG HG3 H 1 1.4460 0.0500 . 2 . . . . A 13 ARG HG3 . 30178 1 131 . 1 1 13 13 ARG HD2 H 1 2.9720 0.0500 . 2 . . . . A 13 ARG HD2 . 30178 1 132 . 1 1 13 13 ARG C C 13 180.32 0.200 . 1 . . . . A 13 ARG C . 30178 1 133 . 1 1 13 13 ARG CA C 13 59.575 0.200 . 1 . . . . A 13 ARG CA . 30178 1 134 . 1 1 13 13 ARG CB C 13 30.405 0.200 . 1 . . . . A 13 ARG CB . 30178 1 135 . 1 1 13 13 ARG CG C 13 27.561 0.200 . 1 . . . . A 13 ARG CG . 30178 1 136 . 1 1 13 13 ARG CD C 13 42.260 0.300 . 1 . . . . A 13 ARG CD . 30178 1 137 . 1 1 13 13 ARG N N 15 121.46 0.0500 . 1 . . . . A 13 ARG N . 30178 1 138 . 1 1 14 14 CGU H H 1 8.3510 0.0500 . 1 . . . . A 14 CGU H . 30178 1 139 . 1 1 14 14 CGU C C 13 179.36 0.200 . 1 . . . . A 14 CGU C . 30178 1 140 . 1 1 14 14 CGU N N 15 119.14 0.300 . 1 . . . . A 14 CGU N . 30178 1 141 . 1 1 14 14 CGU CA C 13 58.247 0.200 . 1 . . . . A 14 CGU CA . 30178 1 142 . 1 1 14 14 CGU CB C 13 31.846 0.200 . 1 . . . . A 14 CGU CB . 30178 1 143 . 1 1 14 14 CGU CG C 13 53.733 0.200 . 1 . . . . A 14 CGU CG . 30178 1 144 . 1 1 14 14 CGU HA H 1 3.9900 0.0500 . 1 . . . . A 14 CGU HA . 30178 1 145 . 1 1 14 14 CGU HB2 H 1 2.1710 0.0500 . 2 . . . . A 14 CGU HB2 . 30178 1 146 . 1 1 14 14 CGU HB3 H 1 2.5010 0.0500 . 2 . . . . A 14 CGU HB3 . 30178 1 147 . 1 1 14 14 CGU HG H 1 3.7190 0.0500 . 2 . . . . A 14 CGU HG . 30178 1 148 . 1 1 15 15 LEU H H 1 7.9030 0.0500 . 1 . . . . A 15 LEU H . 30178 1 149 . 1 1 15 15 LEU HA H 1 3.9580 0.0500 . 1 . . . . A 15 LEU HA . 30178 1 150 . 1 1 15 15 LEU HB2 H 1 1.5190 0.0500 . 2 . . . . A 15 LEU HB2 . 30178 1 151 . 1 1 15 15 LEU HG H 1 1.4450 0.0500 . 1 . . . . A 15 LEU HG . 30178 1 152 . 1 1 15 15 LEU HD11 H 1 0.73900 0.0500 . 2 . . . . A 15 LEU HD11 . 30178 1 153 . 1 1 15 15 LEU HD12 H 1 0.73900 0.0500 . 2 . . . . A 15 LEU HD12 . 30178 1 154 . 1 1 15 15 LEU HD13 H 1 0.73900 0.0500 . 2 . . . . A 15 LEU HD13 . 30178 1 155 . 1 1 15 15 LEU HD21 H 1 0.64500 0.0500 . 2 . . . . A 15 LEU HD21 . 30178 1 156 . 1 1 15 15 LEU HD22 H 1 0.64500 0.0500 . 2 . . . . A 15 LEU HD22 . 30178 1 157 . 1 1 15 15 LEU HD23 H 1 0.64500 0.0500 . 2 . . . . A 15 LEU HD23 . 30178 1 158 . 1 1 15 15 LEU C C 13 180.14 0.200 . 1 . . . . A 15 LEU C . 30178 1 159 . 1 1 15 15 LEU CA C 13 57.280 0.200 . 1 . . . . A 15 LEU CA . 30178 1 160 . 1 1 15 15 LEU CB C 13 42.055 0.200 . 1 . . . . A 15 LEU CB . 30178 1 161 . 1 1 15 15 LEU CG C 13 26.586 0.200 . 1 . . . . A 15 LEU CG . 30178 1 162 . 1 1 15 15 LEU CD1 C 13 23.570 0.200 . 2 . . . . A 15 LEU CD1 . 30178 1 163 . 1 1 15 15 LEU CD2 C 13 27.870 0.200 . 2 . . . . A 15 LEU CD2 . 30178 1 164 . 1 1 15 15 LEU N N 15 119.21 0.300 . 1 . . . . A 15 LEU N . 30178 1 165 . 1 1 16 16 ALA H H 1 7.6710 0.0500 . 1 . . . . A 16 ALA H . 30178 1 166 . 1 1 16 16 ALA HA H 1 4.1570 0.0500 . 1 . . . . A 16 ALA HA . 30178 1 167 . 1 1 16 16 ALA HB1 H 1 1.4320 0.0500 . 1 . . . . A 16 ALA HB1 . 30178 1 168 . 1 1 16 16 ALA HB2 H 1 1.4320 0.0500 . 1 . . . . A 16 ALA HB2 . 30178 1 169 . 1 1 16 16 ALA HB3 H 1 1.4320 0.0500 . 1 . . . . A 16 ALA HB3 . 30178 1 170 . 1 1 16 16 ALA C C 13 178.60 0.200 . 1 . . . . A 16 ALA C . 30178 1 171 . 1 1 16 16 ALA CA C 13 53.712 0.200 . 1 . . . . A 16 ALA CA . 30178 1 172 . 1 1 16 16 ALA CB C 13 18.340 0.200 . 1 . . . . A 16 ALA CB . 30178 1 173 . 1 1 16 16 ALA N N 15 120.65 0.200 . 1 . . . . A 16 ALA N . 30178 1 174 . 1 1 17 17 ASN H H 1 7.7100 0.300 . 1 . . . . A 17 ASN H . 30178 1 175 . 1 1 17 17 ASN HA H 1 4.6260 0.0500 . 1 . . . . A 17 ASN HA . 30178 1 176 . 1 1 17 17 ASN HB2 H 1 2.7520 0.0500 . 2 . . . . A 17 ASN HB2 . 30178 1 177 . 1 1 17 17 ASN HB3 H 1 2.6620 0.0500 . 2 . . . . A 17 ASN HB3 . 30178 1 178 . 1 1 17 17 ASN HD21 H 1 7.6120 0.0500 . 2 . . . . A 17 ASN HD21 . 30178 1 179 . 1 1 17 17 ASN HD22 H 1 6.8300 0.0500 . 2 . . . . A 17 ASN HD22 . 30178 1 180 . 1 1 17 17 ASN C C 13 178.47 0.200 . 1 . . . . A 17 ASN C . 30178 1 181 . 1 1 17 17 ASN CA C 13 53.859 0.200 . 1 . . . . A 17 ASN CA . 30178 1 182 . 1 1 17 17 ASN CB C 13 39.169 0.200 . 1 . . . . A 17 ASN CB . 30178 1 183 . 1 1 17 17 ASN CG C 13 113.30 0.200 . 1 . . . . A 17 ASN CG . 30178 1 184 . 1 1 17 17 ASN N N 15 116.00 0.300 . 1 . . . . A 17 ASN N . 30178 1 185 . 1 1 17 17 ASN ND2 N 15 113.30 0.0500 . 1 . . . . A 17 ASN ND2 . 30178 1 186 . 1 1 18 18 TYR H H 1 7.7550 0.0500 . 1 . . . . A 18 TYR H . 30178 1 187 . 1 1 18 18 TYR HA H 1 4.4420 0.0500 . 1 . . . . A 18 TYR HA . 30178 1 188 . 1 1 18 18 TYR HB2 H 1 3.1200 0.0500 . 2 . . . . A 18 TYR HB2 . 30178 1 189 . 1 1 18 18 TYR HB3 H 1 3.0600 0.0500 . 2 . . . . A 18 TYR HB3 . 30178 1 190 . 1 1 18 18 TYR HD1 H 1 7.1960 0.0500 . 3 . . . . A 18 TYR HD1 . 30178 1 191 . 1 1 18 18 TYR HE1 H 1 6.4860 0.0500 . 3 . . . . A 18 TYR HE1 . 30178 1 192 . 1 1 18 18 TYR C C 13 175.19 0.200 . 1 . . . . A 18 TYR C . 30178 1 193 . 1 1 18 18 TYR CA C 13 58.549 0.200 . 1 . . . . A 18 TYR CA . 30178 1 194 . 1 1 18 18 TYR CB C 13 38.695 0.200 . 1 . . . . A 18 TYR CB . 30178 1 195 . 1 1 18 18 TYR CD1 C 13 126.43 0.200 . 3 . . . . A 18 TYR CD1 . 30178 1 196 . 1 1 18 18 TYR CE1 C 13 119.46 0.200 . 3 . . . . A 18 TYR CE1 . 30178 1 197 . 1 1 18 18 TYR CZ C 13 126.43 0.200 . 1 . . . . A 18 TYR CZ . 30178 1 198 . 1 1 18 18 TYR N N 15 120.65 0.300 . 1 . . . . A 18 TYR N . 30178 1 199 . 1 1 19 19 NH2 N N 15 107.92 0.300 . 1 . . . . A 19 NH2 N . 30178 1 200 . 1 1 19 19 NH2 HN1 H 1 7.3840 0.0500 . 2 . . . . A 19 NH2 HN1 . 30178 1 201 . 1 1 19 19 NH2 HN2 H 1 7.0570 0.0500 . 2 . . . . A 19 NH2 HN2 . 30178 1 stop_ save_