################################### # 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 30119 _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_2 _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 0.01 _Assigned_chem_shift_list.Chem_shift_13C_err 0.1 _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 TOCSY' . . . 30119 1 2 '2D 1H-1H NOESY' . . . 30119 1 3 '2D 1H-13C HSQC' . . . 30119 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 2 2 MET HA H 1 4.3360 0.02 . 1 . . . A 1 MET HA . 30119 1 2 . 1 1 2 2 MET HB3 H 1 1.8140 0.02 . 1 . . . A 1 MET HB3 . 30119 1 3 . 1 1 2 2 MET HG3 H 1 2.3910 0.02 . 2 . . . A 1 MET HG3 . 30119 1 4 . 1 1 2 2 MET CA C 13 56.1200 0.02 . 1 . . . A 1 MET CA . 30119 1 5 . 1 1 2 2 MET CB C 13 32.9800 0.02 . 1 . . . A 1 MET CB . 30119 1 6 . 1 1 3 3 ASP H H 1 8.3800 0.02 . 1 . . . A 2 ASP H . 30119 1 7 . 1 1 3 3 ASP HA H 1 4.6330 0.02 . 1 . . . A 2 ASP HA . 30119 1 8 . 1 1 3 3 ASP HB2 H 1 2.6340 0.02 . 2 . . . A 2 ASP HB2 . 30119 1 9 . 1 1 3 3 ASP HB3 H 1 2.7040 0.02 . 2 . . . A 2 ASP HB3 . 30119 1 10 . 1 1 3 3 ASP CA C 13 53.7490 0.02 . 1 . . . A 2 ASP CA . 30119 1 11 . 1 1 3 3 ASP CB C 13 41.1620 0.02 . 1 . . . A 2 ASP CB . 30119 1 12 . 1 1 4 4 TRP H H 1 8.3420 0.02 . 1 . . . A 3 TRP H . 30119 1 13 . 1 1 4 4 TRP HA H 1 4.5520 0.02 . 1 . . . A 3 TRP HA . 30119 1 14 . 1 1 4 4 TRP HB2 H 1 3.3590 0.02 . 2 . . . A 3 TRP HB2 . 30119 1 15 . 1 1 4 4 TRP HB3 H 1 3.2900 0.02 . 2 . . . A 3 TRP HB3 . 30119 1 16 . 1 1 4 4 TRP HD1 H 1 7.2960 0.02 . 1 . . . A 3 TRP HD1 . 30119 1 17 . 1 1 4 4 TRP HE1 H 1 10.1560 0.02 . 1 . . . A 3 TRP HE1 . 30119 1 18 . 1 1 4 4 TRP HE3 H 1 7.6300 0.02 . 1 . . . A 3 TRP HE3 . 30119 1 19 . 1 1 4 4 TRP HZ2 H 1 7.4980 0.02 . 1 . . . A 3 TRP HZ2 . 30119 1 20 . 1 1 4 4 TRP HZ3 H 1 7.1580 0.02 . 1 . . . A 3 TRP HZ3 . 30119 1 21 . 1 1 4 4 TRP HH2 H 1 7.2410 0.02 . 1 . . . A 3 TRP HH2 . 30119 1 22 . 1 1 4 4 TRP CA C 13 58.4940 0.02 . 1 . . . A 3 TRP CA . 30119 1 23 . 1 1 4 4 TRP CB C 13 29.4280 0.02 . 1 . . . A 3 TRP CB . 30119 1 24 . 1 1 5 5 GLY H H 1 8.5190 0.02 . 1 . . . A 4 GLY H . 30119 1 25 . 1 1 5 5 GLY HA2 H 1 3.8510 0.02 . 2 . . . A 4 GLY HA2 . 30119 1 26 . 1 1 5 5 GLY HA3 H 1 3.9300 0.02 . 2 . . . A 4 GLY HA3 . 30119 1 27 . 1 1 5 5 GLY CA C 13 46.0630 0.02 . 1 . . . A 4 GLY CA . 30119 1 28 . 1 1 6 6 THR H H 1 8.0060 0.02 . 1 . . . A 5 THR H . 30119 1 29 . 1 1 6 6 THR HA H 1 4.2460 0.02 . 1 . . . A 5 THR HA . 30119 1 30 . 1 1 6 6 THR HB H 1 4.2400 0.02 . 1 . . . A 5 THR HB . 30119 1 31 . 1 1 6 6 THR HG21 H 1 1.2330 0.02 . 1 . . . A 5 THR HG21 . 30119 1 32 . 1 1 6 6 THR HG22 H 1 1.2330 0.02 . 1 . . . A 5 THR HG22 . 30119 1 33 . 1 1 6 6 THR HG23 H 1 1.2330 0.02 . 1 . . . A 5 THR HG23 . 30119 1 34 . 1 1 6 6 THR CA C 13 63.0470 0.02 . 1 . . . A 5 THR CA . 30119 1 35 . 1 1 6 6 THR CB C 13 69.6100 0.02 . 1 . . . A 5 THR CB . 30119 1 36 . 1 1 7 7 LEU H H 1 8.2270 0.02 . 1 . . . A 6 LEU H . 30119 1 37 . 1 1 7 7 LEU HA H 1 4.2760 0.02 . 1 . . . A 6 LEU HA . 30119 1 38 . 1 1 7 7 LEU HB3 H 1 1.6210 0.02 . 2 . . . A 6 LEU HB3 . 30119 1 39 . 1 1 7 7 LEU HG H 1 1.6870 0.02 . 1 . . . A 6 LEU HG . 30119 1 40 . 1 1 7 7 LEU HD11 H 1 0.8770 0.02 . 2 . . . A 6 LEU HD11 . 30119 1 41 . 1 1 7 7 LEU HD12 H 1 0.8770 0.02 . 2 . . . A 6 LEU HD12 . 30119 1 42 . 1 1 7 7 LEU HD13 H 1 0.8770 0.02 . 2 . . . A 6 LEU HD13 . 30119 1 43 . 1 1 7 7 LEU HD21 H 1 0.9150 0.02 . 2 . . . A 6 LEU HD21 . 30119 1 44 . 1 1 7 7 LEU HD22 H 1 0.9150 0.02 . 2 . . . A 6 LEU HD22 . 30119 1 45 . 1 1 7 7 LEU HD23 H 1 0.9150 0.02 . 2 . . . A 6 LEU HD23 . 30119 1 46 . 1 1 7 7 LEU CA C 13 56.2010 0.02 . 1 . . . A 6 LEU CA . 30119 1 47 . 1 1 7 7 LEU CB C 13 42.1200 0.02 . 1 . . . A 6 LEU CB . 30119 1 48 . 1 1 8 8 GLN H H 1 8.2910 0.02 . 1 . . . A 7 GLN H . 30119 1 49 . 1 1 8 8 GLN HA H 1 4.2240 0.02 . 1 . . . A 7 GLN HA . 30119 1 50 . 1 1 8 8 GLN HB2 H 1 2.0440 0.02 . 2 . . . A 7 GLN HB2 . 30119 1 51 . 1 1 8 8 GLN HB3 H 1 1.9490 0.02 . 2 . . . A 7 GLN HB3 . 30119 1 52 . 1 1 8 8 GLN HG3 H 1 2.2270 0.02 . 2 . . . A 7 GLN HG3 . 30119 1 53 . 1 1 8 8 GLN HE21 H 1 6.8300 0.02 . 2 . . . A 7 GLN HE21 . 30119 1 54 . 1 1 8 8 GLN HE22 H 1 7.2870 0.02 . 2 . . . A 7 GLN HE22 . 30119 1 55 . 1 1 8 8 GLN CA C 13 56.5640 0.02 . 1 . . . A 7 GLN CA . 30119 1 56 . 1 1 8 8 GLN CB C 13 29.0930 0.02 . 1 . . . A 7 GLN CB . 30119 1 57 . 1 1 9 9 THR H H 1 8.0870 0.02 . 1 . . . A 8 THR H . 30119 1 58 . 1 1 9 9 THR HA H 1 4.2630 0.02 . 1 . . . A 8 THR HA . 30119 1 59 . 1 1 9 9 THR HB H 1 4.2220 0.02 . 1 . . . A 8 THR HB . 30119 1 60 . 1 1 9 9 THR HG21 H 1 1.2030 0.02 . 1 . . . A 8 THR HG21 . 30119 1 61 . 1 1 9 9 THR HG22 H 1 1.2030 0.02 . 1 . . . A 8 THR HG22 . 30119 1 62 . 1 1 9 9 THR HG23 H 1 1.2030 0.02 . 1 . . . A 8 THR HG23 . 30119 1 63 . 1 1 9 9 THR CA C 13 62.9700 0.02 . 1 . . . A 8 THR CA . 30119 1 64 . 1 1 9 9 THR CB C 13 69.5880 0.02 . 1 . . . A 8 THR CB . 30119 1 65 . 1 1 10 10 ILE H H 1 8.1300 0.02 . 1 . . . A 9 ILE H . 30119 1 66 . 1 1 10 10 ILE HA H 1 4.1280 0.02 . 1 . . . A 9 ILE HA . 30119 1 67 . 1 1 10 10 ILE HB H 1 1.9000 0.02 . 1 . . . A 9 ILE HB . 30119 1 68 . 1 1 10 10 ILE HG12 H 1 1.5080 0.02 . 2 . . . A 9 ILE HG12 . 30119 1 69 . 1 1 10 10 ILE HG13 H 1 1.1900 0.02 . 2 . . . A 9 ILE HG13 . 30119 1 70 . 1 1 10 10 ILE HG21 H 1 0.8970 0.02 . 1 . . . A 9 ILE HG21 . 30119 1 71 . 1 1 10 10 ILE HG22 H 1 0.8970 0.02 . 1 . . . A 9 ILE HG22 . 30119 1 72 . 1 1 10 10 ILE HG23 H 1 0.8970 0.02 . 1 . . . A 9 ILE HG23 . 30119 1 73 . 1 1 10 10 ILE HD11 H 1 0.8490 0.02 . 1 . . . A 9 ILE HD11 . 30119 1 74 . 1 1 10 10 ILE HD12 H 1 0.8490 0.02 . 1 . . . A 9 ILE HD12 . 30119 1 75 . 1 1 10 10 ILE HD13 H 1 0.8490 0.02 . 1 . . . A 9 ILE HD13 . 30119 1 76 . 1 1 10 10 ILE CA C 13 61.8840 0.02 . 1 . . . A 9 ILE CA . 30119 1 77 . 1 1 10 10 ILE CB C 13 38.6650 0.02 . 1 . . . A 9 ILE CB . 30119 1 78 . 1 1 11 11 LEU H H 1 8.3780 0.02 . 1 . . . A 10 LEU H . 30119 1 79 . 1 1 11 11 LEU HA H 1 4.3320 0.02 . 1 . . . A 10 LEU HA . 30119 1 80 . 1 1 11 11 LEU HB2 H 1 1.5850 0.02 . 2 . . . A 10 LEU HB2 . 30119 1 81 . 1 1 11 11 LEU HB3 H 1 1.6870 0.02 . 2 . . . A 10 LEU HB3 . 30119 1 82 . 1 1 11 11 LEU HG H 1 1.6400 0.02 . 1 . . . A 10 LEU HG . 30119 1 83 . 1 1 11 11 LEU HD11 H 1 0.8700 0.02 . 2 . . . A 10 LEU HD11 . 30119 1 84 . 1 1 11 11 LEU HD12 H 1 0.8700 0.02 . 2 . . . A 10 LEU HD12 . 30119 1 85 . 1 1 11 11 LEU HD13 H 1 0.8700 0.02 . 2 . . . A 10 LEU HD13 . 30119 1 86 . 1 1 11 11 LEU HD21 H 1 0.9160 0.02 . 2 . . . A 10 LEU HD21 . 30119 1 87 . 1 1 11 11 LEU HD22 H 1 0.9160 0.02 . 2 . . . A 10 LEU HD22 . 30119 1 88 . 1 1 11 11 LEU HD23 H 1 0.9160 0.02 . 2 . . . A 10 LEU HD23 . 30119 1 89 . 1 1 11 11 LEU CA C 13 55.5460 0.02 . 1 . . . A 10 LEU CA . 30119 1 90 . 1 1 11 11 LEU CB C 13 42.1200 0.02 . 1 . . . A 10 LEU CB . 30119 1 91 . 1 1 12 12 GLY H H 1 8.3690 0.02 . 1 . . . A 11 GLY H . 30119 1 92 . 1 1 12 12 GLY HA3 H 1 3.9750 0.02 . 2 . . . A 11 GLY HA3 . 30119 1 93 . 1 1 12 12 GLY CA C 13 45.3570 0.02 . 1 . . . A 11 GLY CA . 30119 1 94 . 1 1 13 13 GLY H H 1 8.2290 0.02 . 1 . . . A 12 GLY H . 30119 1 95 . 1 1 13 13 GLY HA2 H 1 3.9890 0.02 . 2 . . . A 12 GLY HA2 . 30119 1 96 . 1 1 13 13 GLY CA C 13 45.2700 0.02 . 1 . . . A 12 GLY CA . 30119 1 97 . 1 1 14 14 VAL H H 1 8.0740 0.02 . 1 . . . A 13 VAL H . 30119 1 98 . 1 1 14 14 VAL HA H 1 4.1010 0.02 . 1 . . . A 13 VAL HA . 30119 1 99 . 1 1 14 14 VAL HB H 1 2.0990 0.02 . 1 . . . A 13 VAL HB . 30119 1 100 . 1 1 14 14 VAL HG11 H 1 0.9380 0.02 . 2 . . . A 13 VAL HG11 . 30119 1 101 . 1 1 14 14 VAL HG12 H 1 0.9380 0.02 . 2 . . . A 13 VAL HG12 . 30119 1 102 . 1 1 14 14 VAL HG13 H 1 0.9380 0.02 . 2 . . . A 13 VAL HG13 . 30119 1 103 . 1 1 14 14 VAL CA C 13 62.5480 0.02 . 1 . . . A 13 VAL CA . 30119 1 104 . 1 1 14 14 VAL CB C 13 32.8600 0.02 . 1 . . . A 13 VAL CB . 30119 1 105 . 1 1 15 15 ASN H H 1 8.5840 0.02 . 1 . . . A 14 ASN H . 30119 1 106 . 1 1 15 15 ASN HA H 1 4.7140 0.02 . 1 . . . A 14 ASN HA . 30119 1 107 . 1 1 15 15 ASN HB2 H 1 2.8330 0.02 . 2 . . . A 14 ASN HB2 . 30119 1 108 . 1 1 15 15 ASN HB3 H 1 2.7560 0.02 . 2 . . . A 14 ASN HB3 . 30119 1 109 . 1 1 15 15 ASN HD21 H 1 6.9990 0.02 . 2 . . . A 14 ASN HD21 . 30119 1 110 . 1 1 15 15 ASN HD22 H 1 7.6600 0.02 . 2 . . . A 14 ASN HD22 . 30119 1 111 . 1 1 15 15 ASN CA C 13 53.1950 0.02 . 1 . . . A 14 ASN CA . 30119 1 112 . 1 1 15 15 ASN CB C 13 38.8190 0.02 . 1 . . . A 14 ASN CB . 30119 1 113 . 1 1 16 16 LYS H H 1 8.3540 0.02 . 1 . . . A 15 LYS H . 30119 1 114 . 1 1 16 16 LYS HA H 1 4.2510 0.02 . 1 . . . A 15 LYS HA . 30119 1 115 . 1 1 16 16 LYS HB3 H 1 1.7730 0.02 . 2 . . . A 15 LYS HB3 . 30119 1 116 . 1 1 16 16 LYS HG2 H 1 1.3400 0.02 . 2 . . . A 15 LYS HG2 . 30119 1 117 . 1 1 16 16 LYS HD3 H 1 1.6580 0.02 . 1 . . . A 15 LYS HD3 . 30119 1 118 . 1 1 16 16 LYS HE3 H 1 2.9860 0.02 . 2 . . . A 15 LYS HE3 . 30119 1 119 . 1 1 16 16 LYS CA C 13 56.2330 0.02 . 1 . . . A 15 LYS CA . 30119 1 120 . 1 1 16 16 LYS CB C 13 32.8600 0.02 . 1 . . . A 15 LYS CB . 30119 1 121 . 1 1 17 17 HIS H H 1 8.4370 0.02 . 1 . . . A 16 HIS H . 30119 1 122 . 1 1 17 17 HIS HA H 1 4.6890 0.02 . 1 . . . A 16 HIS HA . 30119 1 123 . 1 1 17 17 HIS HB2 H 1 3.2060 0.02 . 2 . . . A 16 HIS HB2 . 30119 1 124 . 1 1 17 17 HIS HB3 H 1 3.1220 0.02 . 2 . . . A 16 HIS HB3 . 30119 1 125 . 1 1 17 17 HIS HD1 H 1 7.1620 0.02 . 1 . . . A 16 HIS HD1 . 30119 1 126 . 1 1 17 17 HIS HD2 H 1 7.1620 0.02 . 1 . . . A 16 HIS HD2 . 30119 1 127 . 1 1 17 17 HIS HE1 H 1 8.0910 0.02 . 1 . . . A 16 HIS HE1 . 30119 1 128 . 1 1 17 17 HIS CA C 13 56.0920 0.02 . 1 . . . A 16 HIS CA . 30119 1 129 . 1 1 17 17 HIS CB C 13 30.2750 0.02 . 1 . . . A 16 HIS CB . 30119 1 130 . 1 1 18 18 SER H H 1 8.3350 0.02 . 1 . . . A 17 SER H . 30119 1 131 . 1 1 18 18 SER HA H 1 4.5160 0.02 . 1 . . . A 17 SER HA . 30119 1 132 . 1 1 18 18 SER HB2 H 1 3.9150 0.02 . 2 . . . A 17 SER HB2 . 30119 1 133 . 1 1 18 18 SER HB3 H 1 3.8690 0.02 . 2 . . . A 17 SER HB3 . 30119 1 134 . 1 1 18 18 SER CA C 13 58.4030 0.02 . 1 . . . A 17 SER CA . 30119 1 135 . 1 1 18 18 SER CB C 13 63.8470 0.02 . 1 . . . A 17 SER CB . 30119 1 136 . 1 1 19 19 THR H H 1 8.3510 0.02 . 1 . . . A 18 THR H . 30119 1 137 . 1 1 19 19 THR HA H 1 4.4340 0.02 . 1 . . . A 18 THR HA . 30119 1 138 . 1 1 19 19 THR HB H 1 4.3190 0.02 . 1 . . . A 18 THR HB . 30119 1 139 . 1 1 19 19 THR HG21 H 1 1.2430 0.02 . 1 . . . A 18 THR HG21 . 30119 1 140 . 1 1 19 19 THR HG22 H 1 1.2430 0.02 . 1 . . . A 18 THR HG22 . 30119 1 141 . 1 1 19 19 THR HG23 H 1 1.2430 0.02 . 1 . . . A 18 THR HG23 . 30119 1 142 . 1 1 19 19 THR CA C 13 61.9270 0.02 . 1 . . . A 18 THR CA . 30119 1 143 . 1 1 19 19 THR CB C 13 69.8230 0.02 . 1 . . . A 18 THR CB . 30119 1 144 . 1 1 20 20 SER H H 1 8.3970 0.02 . 1 . . . A 19 SER H . 30119 1 145 . 1 1 20 20 SER HA H 1 4.5270 0.02 . 1 . . . A 19 SER HA . 30119 1 146 . 1 1 20 20 SER HB3 H 1 3.8700 0.02 . 2 . . . A 19 SER HB3 . 30119 1 147 . 1 1 20 20 SER CA C 13 58.3500 0.02 . 1 . . . A 19 SER CA . 30119 1 148 . 1 1 20 20 SER CB C 13 63.8500 0.02 . 1 . . . A 19 SER CB . 30119 1 149 . 1 1 21 21 ILE H H 1 8.2250 0.02 . 1 . . . A 20 ILE H . 30119 1 150 . 1 1 21 21 ILE HA H 1 4.2180 0.02 . 1 . . . A 20 ILE HA . 30119 1 151 . 1 1 21 21 ILE HB H 1 1.9050 0.02 . 1 . . . A 20 ILE HB . 30119 1 152 . 1 1 21 21 ILE HG12 H 1 1.2160 0.02 . 2 . . . A 20 ILE HG12 . 30119 1 153 . 1 1 21 21 ILE HG13 H 1 1.4920 0.02 . 2 . . . A 20 ILE HG13 . 30119 1 154 . 1 1 21 21 ILE HG21 H 1 0.9400 0.02 . 1 . . . A 20 ILE HG21 . 30119 1 155 . 1 1 21 21 ILE HG22 H 1 0.9400 0.02 . 1 . . . A 20 ILE HG22 . 30119 1 156 . 1 1 21 21 ILE HG23 H 1 0.9400 0.02 . 1 . . . A 20 ILE HG23 . 30119 1 157 . 1 1 21 21 ILE HD11 H 1 0.8720 0.02 . 1 . . . A 20 ILE HD11 . 30119 1 158 . 1 1 21 21 ILE HD12 H 1 0.8720 0.02 . 1 . . . A 20 ILE HD12 . 30119 1 159 . 1 1 21 21 ILE HD13 H 1 0.8720 0.02 . 1 . . . A 20 ILE HD13 . 30119 1 160 . 1 1 21 21 ILE CA C 13 61.5080 0.02 . 1 . . . A 20 ILE CA . 30119 1 161 . 1 1 21 21 ILE CB C 13 38.7200 0.02 . 1 . . . A 20 ILE CB . 30119 1 162 . 1 1 22 22 GLY H H 1 8.5400 0.02 . 1 . . . A 21 GLY H . 30119 1 163 . 1 1 22 22 GLY HA3 H 1 3.9490 0.02 . 2 . . . A 21 GLY HA3 . 30119 1 164 . 1 1 22 22 GLY CA C 13 45.3510 0.02 . 1 . . . A 21 GLY CA . 30119 1 165 . 1 1 23 23 LYS H H 1 7.8800 0.02 . 1 . . . A 22 LYS H . 30119 1 166 . 1 1 23 23 LYS HA H 1 4.2030 0.02 . 1 . . . A 22 LYS HA . 30119 1 167 . 1 1 23 23 LYS HB2 H 1 1.8450 0.02 . 2 . . . A 22 LYS HB2 . 30119 1 168 . 1 1 23 23 LYS HB3 H 1 1.8450 0.02 . 2 . . . A 22 LYS HB3 . 30119 1 169 . 1 1 23 23 LYS HG3 H 1 1.3940 0.02 . 2 . . . A 22 LYS HG3 . 30119 1 170 . 1 1 23 23 LYS HD3 H 1 1.6750 0.02 . 2 . . . A 22 LYS HD3 . 30119 1 171 . 1 1 23 23 LYS HE2 H 1 3.0030 0.02 . 2 . . . A 22 LYS HE2 . 30119 1 172 . 1 1 23 23 LYS CA C 13 57.5430 0.02 . 1 . . . A 22 LYS CA . 30119 1 173 . 1 1 23 23 LYS CB C 13 33.0000 0.02 . 1 . . . A 22 LYS CB . 30119 1 stop_ save_