################################### # 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 30941 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _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 TOCSY' . . . 30941 1 2 '2D 1H-1H NOESY' . . . 30941 1 3 '2D 1H-13C HSQC' . . . 30941 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_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 ILE HA H 1 4.0260 . . . . . . . A 1 ILE HA . 30941 1 2 . 1 . 1 1 1 ILE HB H 1 2.0044 . . . . . . . A 1 ILE HB . 30941 1 3 . 1 . 1 1 1 ILE HG12 H 1 1.2845 . . . . . . . A 1 ILE HG12 . 30941 1 4 . 1 . 1 1 1 ILE HG13 H 1 1.6074 . . . . . . . A 1 ILE HG13 . 30941 1 5 . 1 . 1 1 1 ILE HG21 H 1 1.0145 . . . . . . . A 1 ILE HG21 . 30941 1 6 . 1 . 1 1 1 ILE HG22 H 1 1.0145 . . . . . . . A 1 ILE HG22 . 30941 1 7 . 1 . 1 1 1 ILE HG23 H 1 1.0145 . . . . . . . A 1 ILE HG23 . 30941 1 8 . 1 . 1 1 1 ILE HD11 H 1 0.9969 . . . . . . . A 1 ILE HD11 . 30941 1 9 . 1 . 1 1 1 ILE HD12 H 1 0.9969 . . . . . . . A 1 ILE HD12 . 30941 1 10 . 1 . 1 1 1 ILE HD13 H 1 0.9969 . . . . . . . A 1 ILE HD13 . 30941 1 11 . 1 . 1 1 1 ILE CA C 13 59.9520 . . . . . . . A 1 ILE CA . 30941 1 12 . 1 . 1 2 2 ASN H H 1 8.2198 . . . . . . . A 2 ASN H . 30941 1 13 . 1 . 1 2 2 ASN HA H 1 4.9266 . . . . . . . A 2 ASN HA . 30941 1 14 . 1 . 1 2 2 ASN HB2 H 1 3.0690 . . . . . . . A 2 ASN HB2 . 30941 1 15 . 1 . 1 2 2 ASN HB3 H 1 2.9054 . . . . . . . A 2 ASN HB3 . 30941 1 16 . 1 . 1 2 2 ASN HD21 H 1 7.6078 . . . . . . . A 2 ASN HD21 . 30941 1 17 . 1 . 1 2 2 ASN HD22 H 1 6.8650 . . . . . . . A 2 ASN HD22 . 30941 1 18 . 1 . 1 2 2 ASN CA C 13 52.6960 . . . . . . . A 2 ASN CA . 30941 1 19 . 1 . 1 3 3 LEU H H 1 8.4758 . . . . . . . A 3 LEU H . 30941 1 20 . 1 . 1 3 3 LEU HA H 1 4.1757 . . . . . . . A 3 LEU HA . 30941 1 21 . 1 . 1 3 3 LEU HB2 H 1 1.9051 . . . . . . . A 3 LEU HB2 . 30941 1 22 . 1 . 1 3 3 LEU HB3 H 1 1.8785 . . . . . . . A 3 LEU HB3 . 30941 1 23 . 1 . 1 3 3 LEU HG H 1 1.6172 . . . . . . . A 3 LEU HG . 30941 1 24 . 1 . 1 3 3 LEU HD11 H 1 0.9926 . . . . . . . A 3 LEU HD11 . 30941 1 25 . 1 . 1 3 3 LEU HD12 H 1 0.9926 . . . . . . . A 3 LEU HD12 . 30941 1 26 . 1 . 1 3 3 LEU HD13 H 1 0.9926 . . . . . . . A 3 LEU HD13 . 30941 1 27 . 1 . 1 3 3 LEU HD21 H 1 0.9072 . . . . . . . A 3 LEU HD21 . 30941 1 28 . 1 . 1 3 3 LEU HD22 H 1 0.9072 . . . . . . . A 3 LEU HD22 . 30941 1 29 . 1 . 1 3 3 LEU HD23 H 1 0.9072 . . . . . . . A 3 LEU HD23 . 30941 1 30 . 1 . 1 3 3 LEU CA C 13 56.6634 . . . . . . . A 3 LEU CA . 30941 1 31 . 1 . 1 3 3 LEU CB C 13 41.6513 . . . . . . . A 3 LEU CB . 30941 1 32 . 1 . 1 3 3 LEU CG C 13 28.9750 . . . . . . . A 3 LEU CG . 30941 1 33 . 1 . 1 4 4 LYS H H 1 8.1067 . . . . . . . A 4 LYS H . 30941 1 34 . 1 . 1 4 4 LYS HA H 1 4.0216 . . . . . . . A 4 LYS HA . 30941 1 35 . 1 . 1 4 4 LYS HB2 H 1 1.9948 . . . . . . . A 4 LYS HB2 . 30941 1 36 . 1 . 1 4 4 LYS HB3 H 1 1.9562 . . . . . . . A 4 LYS HB3 . 30941 1 37 . 1 . 1 4 4 LYS HG2 H 1 1.6223 . . . . . . . A 4 LYS HG2 . 30941 1 38 . 1 . 1 4 4 LYS HG3 H 1 1.6154 . . . . . . . A 4 LYS HG3 . 30941 1 39 . 1 . 1 4 4 LYS HD2 H 1 1.8086 . . . . . . . A 4 LYS HD2 . 30941 1 40 . 1 . 1 4 4 LYS HD3 H 1 1.7845 . . . . . . . A 4 LYS HD3 . 30941 1 41 . 1 . 1 4 4 LYS HE2 H 1 3.0515 . . . . . . . A 4 LYS HE2 . 30941 1 42 . 1 . 1 4 4 LYS HE3 H 1 3.0515 . . . . . . . A 4 LYS HE3 . 30941 1 43 . 1 . 1 4 4 LYS CA C 13 59.9155 . . . . . . . A 4 LYS CA . 30941 1 44 . 1 . 1 4 4 LYS CB C 13 32.3425 . . . . . . . A 4 LYS CB . 30941 1 45 . 1 . 1 4 4 LYS CG C 13 27.7305 . . . . . . . A 4 LYS CG . 30941 1 46 . 1 . 1 4 4 LYS CD C 13 29.2498 . . . . . . . A 4 LYS CD . 30941 1 47 . 1 . 1 5 5 ILE H H 1 7.7918 . . . . . . . A 5 ILE H . 30941 1 48 . 1 . 1 5 5 ILE HA H 1 3.8749 . . . . . . . A 5 ILE HA . 30941 1 49 . 1 . 1 5 5 ILE HB H 1 1.9982 . . . . . . . A 5 ILE HB . 30941 1 50 . 1 . 1 5 5 ILE HG12 H 1 1.3069 . . . . . . . A 5 ILE HG12 . 30941 1 51 . 1 . 1 5 5 ILE HG13 H 1 1.2330 . . . . . . . A 5 ILE HG13 . 30941 1 52 . 1 . 1 5 5 ILE HG21 H 1 0.9802 . . . . . . . A 5 ILE HG21 . 30941 1 53 . 1 . 1 5 5 ILE HG22 H 1 0.9802 . . . . . . . A 5 ILE HG22 . 30941 1 54 . 1 . 1 5 5 ILE HG23 H 1 0.9802 . . . . . . . A 5 ILE HG23 . 30941 1 55 . 1 . 1 5 5 ILE HD11 H 1 0.9614 . . . . . . . A 5 ILE HD11 . 30941 1 56 . 1 . 1 5 5 ILE HD12 H 1 0.9614 . . . . . . . A 5 ILE HD12 . 30941 1 57 . 1 . 1 5 5 ILE HD13 H 1 0.9614 . . . . . . . A 5 ILE HD13 . 30941 1 58 . 1 . 1 5 5 ILE CA C 13 64.0882 . . . . . . . A 5 ILE CA . 30941 1 59 . 1 . 1 5 5 ILE CB C 13 36.7350 . . . . . . . A 5 ILE CB . 30941 1 60 . 1 . 1 5 5 ILE CG1 C 13 31.8290 . . . . . . . A 5 ILE CG1 . 30941 1 61 . 1 . 1 5 5 ILE CG2 C 13 16.6590 . . . . . . . A 5 ILE CG2 . 30941 1 62 . 1 . 1 5 5 ILE CD1 C 13 13.3351 . . . . . . . A 5 ILE CD1 . 30941 1 63 . 1 . 1 6 6 LEU H H 1 7.4757 . . . . . . . A 6 LEU H . 30941 1 64 . 1 . 1 6 6 LEU HA H 1 4.0509 . . . . . . . A 6 LEU HA . 30941 1 65 . 1 . 1 6 6 LEU HB2 H 1 1.8125 . . . . . . . A 6 LEU HB2 . 30941 1 66 . 1 . 1 6 6 LEU HB3 H 1 1.8125 . . . . . . . A 6 LEU HB3 . 30941 1 67 . 1 . 1 6 6 LEU HG H 1 1.5361 . . . . . . . A 6 LEU HG . 30941 1 68 . 1 . 1 6 6 LEU HD11 H 1 0.9582 . . . . . . . A 6 LEU HD11 . 30941 1 69 . 1 . 1 6 6 LEU HD12 H 1 0.9582 . . . . . . . A 6 LEU HD12 . 30941 1 70 . 1 . 1 6 6 LEU HD13 H 1 0.9582 . . . . . . . A 6 LEU HD13 . 30941 1 71 . 1 . 1 6 6 LEU HD21 H 1 0.9927 . . . . . . . A 6 LEU HD21 . 30941 1 72 . 1 . 1 6 6 LEU HD22 H 1 0.9927 . . . . . . . A 6 LEU HD22 . 30941 1 73 . 1 . 1 6 6 LEU HD23 H 1 0.9927 . . . . . . . A 6 LEU HD23 . 30941 1 74 . 1 . 1 6 6 LEU CA C 13 58.0598 . . . . . . . A 6 LEU CA . 30941 1 75 . 1 . 1 6 6 LEU CB C 13 42.4474 . . . . . . . A 6 LEU CB . 30941 1 76 . 1 . 1 7 7 ALA H H 1 7.7939 . . . . . . . A 7 ALA H . 30941 1 77 . 1 . 1 7 7 ALA HA H 1 4.0168 . . . . . . . A 7 ALA HA . 30941 1 78 . 1 . 1 7 7 ALA HB1 H 1 1.5481 . . . . . . . A 7 ALA HB1 . 30941 1 79 . 1 . 1 7 7 ALA HB2 H 1 1.5481 . . . . . . . A 7 ALA HB2 . 30941 1 80 . 1 . 1 7 7 ALA HB3 H 1 1.5481 . . . . . . . A 7 ALA HB3 . 30941 1 81 . 1 . 1 7 7 ALA CA C 13 55.5089 . . . . . . . A 7 ALA CA . 30941 1 82 . 1 . 1 7 7 ALA CB C 13 18.7960 . . . . . . . A 7 ALA CB . 30941 1 83 . 1 . 1 8 8 ARG H H 1 7.1687 . . . . . . . A 8 ARG H . 30941 1 84 . 1 . 1 8 8 ARG HA H 1 4.0058 . . . . . . . A 8 ARG HA . 30941 1 85 . 1 . 1 8 8 ARG HB2 H 1 2.0174 . . . . . . . A 8 ARG HB2 . 30941 1 86 . 1 . 1 8 8 ARG HB3 H 1 1.9066 . . . . . . . A 8 ARG HB3 . 30941 1 87 . 1 . 1 8 8 ARG HG2 H 1 1.6993 . . . . . . . A 8 ARG HG2 . 30941 1 88 . 1 . 1 8 8 ARG HG3 H 1 1.6993 . . . . . . . A 8 ARG HG3 . 30941 1 89 . 1 . 1 8 8 ARG HD2 H 1 3.2312 . . . . . . . A 8 ARG HD2 . 30941 1 90 . 1 . 1 8 8 ARG HD3 H 1 3.2271 . . . . . . . A 8 ARG HD3 . 30941 1 91 . 1 . 1 8 8 ARG HE H 1 6.6695 . . . . . . . A 8 ARG HE . 30941 1 92 . 1 . 1 8 8 ARG CA C 13 59.6810 . . . . . . . A 8 ARG CA . 30941 1 93 . 1 . 1 8 8 ARG CB C 13 30.4300 . . . . . . . A 8 ARG CB . 30941 1 94 . 1 . 1 8 8 ARG CD C 13 44.0180 . . . . . . . A 8 ARG CD . 30941 1 95 . 1 . 1 9 9 LEU H H 1 8.0599 . . . . . . . A 9 LEU H . 30941 1 96 . 1 . 1 9 9 LEU HA H 1 4.0982 . . . . . . . A 9 LEU HA . 30941 1 97 . 1 . 1 9 9 LEU HB2 H 1 1.8243 . . . . . . . A 9 LEU HB2 . 30941 1 98 . 1 . 1 9 9 LEU HB3 H 1 1.8445 . . . . . . . A 9 LEU HB3 . 30941 1 99 . 1 . 1 9 9 LEU HG H 1 1.7336 . . . . . . . A 9 LEU HG . 30941 1 100 . 1 . 1 9 9 LEU HD11 H 1 0.9200 . . . . . . . A 9 LEU HD11 . 30941 1 101 . 1 . 1 9 9 LEU HD12 H 1 0.9200 . . . . . . . A 9 LEU HD12 . 30941 1 102 . 1 . 1 9 9 LEU HD13 H 1 0.9200 . . . . . . . A 9 LEU HD13 . 30941 1 103 . 1 . 1 9 9 LEU HD21 H 1 0.8667 . . . . . . . A 9 LEU HD21 . 30941 1 104 . 1 . 1 9 9 LEU HD22 H 1 0.8667 . . . . . . . A 9 LEU HD22 . 30941 1 105 . 1 . 1 9 9 LEU HD23 H 1 0.8667 . . . . . . . A 9 LEU HD23 . 30941 1 106 . 1 . 1 9 9 LEU CA C 13 58.0598 . . . . . . . A 9 LEU CA . 30941 1 107 . 1 . 1 9 9 LEU CB C 13 42.2494 . . . . . . . A 9 LEU CB . 30941 1 108 . 1 . 1 9 9 LEU CG C 13 29.4500 . . . . . . . A 9 LEU CG . 30941 1 109 . 1 . 1 9 9 LEU CD1 C 13 25.3920 . . . . . . . A 9 LEU CD1 . 30941 1 110 . 1 . 1 9 9 LEU CD2 C 13 25.3920 . . . . . . . A 9 LEU CD2 . 30941 1 111 . 1 . 1 10 10 ALA H H 1 8.4601 . . . . . . . A 10 ALA H . 30941 1 112 . 1 . 1 10 10 ALA HA H 1 3.9348 . . . . . . . A 10 ALA HA . 30941 1 113 . 1 . 1 10 10 ALA HB1 H 1 1.4983 . . . . . . . A 10 ALA HB1 . 30941 1 114 . 1 . 1 10 10 ALA HB2 H 1 1.4983 . . . . . . . A 10 ALA HB2 . 30941 1 115 . 1 . 1 10 10 ALA HB3 H 1 1.4983 . . . . . . . A 10 ALA HB3 . 30941 1 116 . 1 . 1 10 10 ALA CA C 13 55.7900 . . . . . . . A 10 ALA CA . 30941 1 117 . 1 . 1 10 10 ALA CB C 13 18.4710 . . . . . . . A 10 ALA CB . 30941 1 118 . 1 . 1 11 11 LYS H H 1 8.0810 . . . . . . . A 11 LYS H . 30941 1 119 . 1 . 1 11 11 LYS HA H 1 3.9400 . . . . . . . A 11 LYS HA . 30941 1 120 . 1 . 1 11 11 LYS HB2 H 1 1.7220 . . . . . . . A 11 LYS HB2 . 30941 1 121 . 1 . 1 11 11 LYS HB3 H 1 1.9633 . . . . . . . A 11 LYS HB3 . 30941 1 122 . 1 . 1 11 11 LYS HG2 H 1 1.4762 . . . . . . . A 11 LYS HG2 . 30941 1 123 . 1 . 1 11 11 LYS HG3 H 1 1.4749 . . . . . . . A 11 LYS HG3 . 30941 1 124 . 1 . 1 11 11 LYS HD2 H 1 1.7171 . . . . . . . A 11 LYS HD2 . 30941 1 125 . 1 . 1 11 11 LYS HD3 H 1 1.7302 . . . . . . . A 11 LYS HD3 . 30941 1 126 . 1 . 1 11 11 LYS HE2 H 1 3.0107 . . . . . . . A 11 LYS HE2 . 30941 1 127 . 1 . 1 11 11 LYS HE3 H 1 3.0165 . . . . . . . A 11 LYS HE3 . 30941 1 128 . 1 . 1 11 11 LYS CA C 13 59.6067 . . . . . . . A 11 LYS CA . 30941 1 129 . 1 . 1 11 11 LYS CB C 13 32.1060 . . . . . . . A 11 LYS CB . 30941 1 130 . 1 . 1 11 11 LYS CG C 13 25.7350 . . . . . . . A 11 LYS CG . 30941 1 131 . 1 . 1 11 11 LYS CE C 13 42.4580 . . . . . . . A 11 LYS CE . 30941 1 132 . 1 . 1 12 12 LYS H H 1 7.7036 . . . . . . . A 12 LYS H . 30941 1 133 . 1 . 1 12 12 LYS HA H 1 4.1359 . . . . . . . A 12 LYS HA . 30941 1 134 . 1 . 1 12 12 LYS HB2 H 1 2.0807 . . . . . . . A 12 LYS HB2 . 30941 1 135 . 1 . 1 12 12 LYS HB3 H 1 2.0701 . . . . . . . A 12 LYS HB3 . 30941 1 136 . 1 . 1 12 12 LYS HG2 H 1 1.5431 . . . . . . . A 12 LYS HG2 . 30941 1 137 . 1 . 1 12 12 LYS HG3 H 1 1.5260 . . . . . . . A 12 LYS HG3 . 30941 1 138 . 1 . 1 12 12 LYS HD2 H 1 1.7746 . . . . . . . A 12 LYS HD2 . 30941 1 139 . 1 . 1 12 12 LYS HD3 H 1 1.7425 . . . . . . . A 12 LYS HD3 . 30941 1 140 . 1 . 1 12 12 LYS HE2 H 1 3.0264 . . . . . . . A 12 LYS HE2 . 30941 1 141 . 1 . 1 12 12 LYS HE3 H 1 3.0208 . . . . . . . A 12 LYS HE3 . 30941 1 142 . 1 . 1 12 12 LYS CA C 13 58.7837 . . . . . . . A 12 LYS CA . 30941 1 143 . 1 . 1 12 12 LYS CB C 13 32.4815 . . . . . . . A 12 LYS CB . 30941 1 144 . 1 . 1 13 13 ILE H H 1 7.9080 . . . . . . . A 13 ILE H . 30941 1 145 . 1 . 1 13 13 ILE HA H 1 3.9393 . . . . . . . A 13 ILE HA . 30941 1 146 . 1 . 1 13 13 ILE HB H 1 1.8917 . . . . . . . A 13 ILE HB . 30941 1 147 . 1 . 1 13 13 ILE HG12 H 1 1.4934 . . . . . . . A 13 ILE HG12 . 30941 1 148 . 1 . 1 13 13 ILE HG13 H 1 1.2839 . . . . . . . A 13 ILE HG13 . 30941 1 149 . 1 . 1 13 13 ILE HG21 H 1 0.9649 . . . . . . . A 13 ILE HG21 . 30941 1 150 . 1 . 1 13 13 ILE HG22 H 1 0.9649 . . . . . . . A 13 ILE HG22 . 30941 1 151 . 1 . 1 13 13 ILE HG23 H 1 0.9649 . . . . . . . A 13 ILE HG23 . 30941 1 152 . 1 . 1 13 13 ILE HD11 H 1 0.8810 . . . . . . . A 13 ILE HD11 . 30941 1 153 . 1 . 1 13 13 ILE HD12 H 1 0.8810 . . . . . . . A 13 ILE HD12 . 30941 1 154 . 1 . 1 13 13 ILE HD13 H 1 0.8810 . . . . . . . A 13 ILE HD13 . 30941 1 155 . 1 . 1 13 13 ILE CA C 13 63.6500 . . . . . . . A 13 ILE CA . 30941 1 156 . 1 . 1 13 13 ILE CB C 13 39.0080 . . . . . . . A 13 ILE CB . 30941 1 157 . 1 . 1 13 13 ILE CG2 C 13 17.7360 . . . . . . . A 13 ILE CG2 . 30941 1 158 . 1 . 1 13 13 ILE CD1 C 13 13.6500 . . . . . . . A 13 ILE CD1 . 30941 1 159 . 1 . 1 14 14 LEU H H 1 8.1459 . . . . . . . A 14 LEU H . 30941 1 160 . 1 . 1 14 14 LEU HA H 1 4.2532 . . . . . . . A 14 LEU HA . 30941 1 161 . 1 . 1 14 14 LEU HB2 H 1 1.6103 . . . . . . . A 14 LEU HB2 . 30941 1 162 . 1 . 1 14 14 LEU HB3 H 1 1.8154 . . . . . . . A 14 LEU HB3 . 30941 1 163 . 1 . 1 14 14 LEU HG H 1 1.8132 . . . . . . . A 14 LEU HG . 30941 1 164 . 1 . 1 14 14 LEU HD11 H 1 0.9373 . . . . . . . A 14 LEU HD11 . 30941 1 165 . 1 . 1 14 14 LEU HD12 H 1 0.9373 . . . . . . . A 14 LEU HD12 . 30941 1 166 . 1 . 1 14 14 LEU HD13 H 1 0.9373 . . . . . . . A 14 LEU HD13 . 30941 1 167 . 1 . 1 14 14 LEU HD21 H 1 0.9243 . . . . . . . A 14 LEU HD21 . 30941 1 168 . 1 . 1 14 14 LEU HD22 H 1 0.9243 . . . . . . . A 14 LEU HD22 . 30941 1 169 . 1 . 1 14 14 LEU HD23 H 1 0.9243 . . . . . . . A 14 LEU HD23 . 30941 1 170 . 1 . 1 14 14 LEU CA C 13 55.9320 . . . . . . . A 14 LEU CA . 30941 1 171 . 1 . 1 14 14 LEU CB C 13 42.7908 . . . . . . . A 14 LEU CB . 30941 1 172 . 1 . 1 14 14 LEU CG C 13 27.3674 . . . . . . . A 14 LEU CG . 30941 1 173 . 1 . 1 14 14 LEU CD1 C 13 25.6270 . . . . . . . A 14 LEU CD1 . 30941 1 174 . 1 . 1 14 14 LEU CD2 C 13 25.6270 . . . . . . . A 14 LEU CD2 . 30941 1 175 . 1 . 1 15 15 NH2 HN1 H 1 6.9289 . . . . . . . A 15 NH2 HN1 . 30941 1 176 . 1 . 1 15 15 NH2 HN2 H 1 7.1463 . . . . . . . A 15 NH2 HN2 . 30941 1 stop_ save_