################################### # 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 34314 _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 NOESY . . . 34314 1 2 '2D 1H-13C HSQC' . . . 34314 1 3 '2D DQF-COSY' . . . 34314 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 3.881 0.020 . 2 . . . . A 1 GLY HA2 . 34314 1 2 . 1 1 1 1 GLY HA3 H 1 4.045 0.020 . 2 . . . . A 1 GLY HA3 . 34314 1 3 . 1 1 1 1 GLY CA C 13 43.386 0.400 . 1 . . . . A 1 GLY CA . 34314 1 4 . 1 1 2 2 LEU H H 1 8.731 0.020 . 1 . . . . A 2 LEU H . 34314 1 5 . 1 1 2 2 LEU HA H 1 4.071 0.020 . 1 . . . . A 2 LEU HA . 34314 1 6 . 1 1 2 2 LEU HB2 H 1 1.507 0.020 . 2 . . . . A 2 LEU HB2 . 34314 1 7 . 1 1 2 2 LEU HB3 H 1 1.507 0.020 . 2 . . . . A 2 LEU HB3 . 34314 1 8 . 1 1 2 2 LEU HG H 1 1.456 0.020 . 1 . . . . A 2 LEU HG . 34314 1 9 . 1 1 2 2 LEU HD11 H 1 0.789 0.020 . 2 . . . . A 2 LEU HD11 . 34314 1 10 . 1 1 2 2 LEU HD12 H 1 0.789 0.020 . 2 . . . . A 2 LEU HD12 . 34314 1 11 . 1 1 2 2 LEU HD13 H 1 0.789 0.020 . 2 . . . . A 2 LEU HD13 . 34314 1 12 . 1 1 2 2 LEU HD21 H 1 0.865 0.020 . 2 . . . . A 2 LEU HD21 . 34314 1 13 . 1 1 2 2 LEU HD22 H 1 0.865 0.020 . 2 . . . . A 2 LEU HD22 . 34314 1 14 . 1 1 2 2 LEU HD23 H 1 0.865 0.020 . 2 . . . . A 2 LEU HD23 . 34314 1 15 . 1 1 2 2 LEU CA C 13 58.415 0.400 . 1 . . . . A 2 LEU CA . 34314 1 16 . 1 1 2 2 LEU CB C 13 42.252 0.400 . 1 . . . . A 2 LEU CB . 34314 1 17 . 1 1 2 2 LEU CG C 13 26.874 0.400 . 1 . . . . A 2 LEU CG . 34314 1 18 . 1 1 2 2 LEU CD1 C 13 24.189 0.400 . 1 . . . . A 2 LEU CD1 . 34314 1 19 . 1 1 2 2 LEU CD2 C 13 22.895 0.400 . 1 . . . . A 2 LEU CD2 . 34314 1 20 . 1 1 3 3 PHE H H 1 8.494 0.020 . 1 . . . . A 3 PHE H . 34314 1 21 . 1 1 3 3 PHE HA H 1 4.340 0.020 . 1 . . . . A 3 PHE HA . 34314 1 22 . 1 1 3 3 PHE HB2 H 1 3.125 0.020 . 2 . . . . A 3 PHE HB2 . 34314 1 23 . 1 1 3 3 PHE HB3 H 1 3.125 0.020 . 2 . . . . A 3 PHE HB3 . 34314 1 24 . 1 1 3 3 PHE HD1 H 1 7.220 0.020 . 1 . . . . A 3 PHE HD1 . 34314 1 25 . 1 1 3 3 PHE HD2 H 1 7.220 0.020 . 1 . . . . A 3 PHE HD2 . 34314 1 26 . 1 1 3 3 PHE HE1 H 1 7.311 0.020 . 1 . . . . A 3 PHE HE1 . 34314 1 27 . 1 1 3 3 PHE HE2 H 1 7.311 0.020 . 1 . . . . A 3 PHE HE2 . 34314 1 28 . 1 1 3 3 PHE HZ H 1 7.252 0.020 . 1 . . . . A 3 PHE HZ . 34314 1 29 . 1 1 3 3 PHE CA C 13 60.314 0.400 . 1 . . . . A 3 PHE CA . 34314 1 30 . 1 1 3 3 PHE CB C 13 38.075 0.400 . 1 . . . . A 3 PHE CB . 34314 1 31 . 1 1 3 3 PHE CD1 C 13 131.063 0.400 . 1 . . . . A 3 PHE CD1 . 34314 1 32 . 1 1 3 3 PHE CE1 C 13 131.213 0.400 . 1 . . . . A 3 PHE CE1 . 34314 1 33 . 1 1 3 3 PHE CZ C 13 129.665 0.400 . 1 . . . . A 3 PHE CZ . 34314 1 34 . 1 1 4 4 ASP H H 1 7.552 0.020 . 1 . . . . A 4 ASP H . 34314 1 35 . 1 1 4 4 ASP HA H 1 4.300 0.020 . 1 . . . . A 4 ASP HA . 34314 1 36 . 1 1 4 4 ASP HB2 H 1 2.709 0.020 . 2 . . . . A 4 ASP HB2 . 34314 1 37 . 1 1 4 4 ASP HB3 H 1 2.833 0.020 . 2 . . . . A 4 ASP HB3 . 34314 1 38 . 1 1 4 4 ASP CA C 13 57.567 0.400 . 1 . . . . A 4 ASP CA . 34314 1 39 . 1 1 4 4 ASP CB C 13 41.059 0.400 . 1 . . . . A 4 ASP CB . 34314 1 40 . 1 1 5 5 ILE H H 1 7.499 0.020 . 1 . . . . A 5 ILE H . 34314 1 41 . 1 1 5 5 ILE HA H 1 3.782 0.020 . 1 . . . . A 5 ILE HA . 34314 1 42 . 1 1 5 5 ILE HB H 1 2.124 0.020 . 1 . . . . A 5 ILE HB . 34314 1 43 . 1 1 5 5 ILE HG12 H 1 1.185 0.020 . 2 . . . . A 5 ILE HG12 . 34314 1 44 . 1 1 5 5 ILE HG13 H 1 1.649 0.020 . 2 . . . . A 5 ILE HG13 . 34314 1 45 . 1 1 5 5 ILE HG21 H 1 0.897 0.020 . 1 . . . . A 5 ILE HG21 . 34314 1 46 . 1 1 5 5 ILE HG22 H 1 0.897 0.020 . 1 . . . . A 5 ILE HG22 . 34314 1 47 . 1 1 5 5 ILE HG23 H 1 0.897 0.020 . 1 . . . . A 5 ILE HG23 . 34314 1 48 . 1 1 5 5 ILE HD11 H 1 0.847 0.020 . 1 . . . . A 5 ILE HD11 . 34314 1 49 . 1 1 5 5 ILE HD12 H 1 0.847 0.020 . 1 . . . . A 5 ILE HD12 . 34314 1 50 . 1 1 5 5 ILE HD13 H 1 0.847 0.020 . 1 . . . . A 5 ILE HD13 . 34314 1 51 . 1 1 5 5 ILE CA C 13 64.384 0.400 . 1 . . . . A 5 ILE CA . 34314 1 52 . 1 1 5 5 ILE CB C 13 37.888 0.400 . 1 . . . . A 5 ILE CB . 34314 1 53 . 1 1 5 5 ILE CG1 C 13 28.274 0.400 . 1 . . . . A 5 ILE CG1 . 34314 1 54 . 1 1 5 5 ILE CG2 C 13 16.623 0.400 . 1 . . . . A 5 ILE CG2 . 34314 1 55 . 1 1 5 5 ILE CD1 C 13 12.018 0.400 . 1 . . . . A 5 ILE CD1 . 34314 1 56 . 1 1 6 6 VAL H H 1 7.972 0.020 . 1 . . . . A 6 VAL H . 34314 1 57 . 1 1 6 6 VAL HA H 1 3.448 0.020 . 1 . . . . A 6 VAL HA . 34314 1 58 . 1 1 6 6 VAL HB H 1 2.098 0.020 . 1 . . . . A 6 VAL HB . 34314 1 59 . 1 1 6 6 VAL HG11 H 1 1.011 0.020 . 2 . . . . A 6 VAL HG11 . 34314 1 60 . 1 1 6 6 VAL HG12 H 1 1.011 0.020 . 2 . . . . A 6 VAL HG12 . 34314 1 61 . 1 1 6 6 VAL HG13 H 1 1.011 0.020 . 2 . . . . A 6 VAL HG13 . 34314 1 62 . 1 1 6 6 VAL HG21 H 1 0.917 0.020 . 2 . . . . A 6 VAL HG21 . 34314 1 63 . 1 1 6 6 VAL HG22 H 1 0.917 0.020 . 2 . . . . A 6 VAL HG22 . 34314 1 64 . 1 1 6 6 VAL HG23 H 1 0.917 0.020 . 2 . . . . A 6 VAL HG23 . 34314 1 65 . 1 1 6 6 VAL CA C 13 67.152 0.400 . 1 . . . . A 6 VAL CA . 34314 1 66 . 1 1 6 6 VAL CB C 13 31.789 0.400 . 1 . . . . A 6 VAL CB . 34314 1 67 . 1 1 6 6 VAL CG1 C 13 22.152 0.400 . 1 . . . . A 6 VAL CG1 . 34314 1 68 . 1 1 6 6 VAL CG2 C 13 20.663 0.400 . 1 . . . . A 6 VAL CG2 . 34314 1 69 . 1 1 7 7 LYS H H 1 7.921 0.020 . 1 . . . . A 7 LYS H . 34314 1 70 . 1 1 7 7 LYS HA H 1 3.817 0.020 . 1 . . . . A 7 LYS HA . 34314 1 71 . 1 1 7 7 LYS HB2 H 1 1.746 0.020 . 2 . . . . A 7 LYS HB2 . 34314 1 72 . 1 1 7 7 LYS HB3 H 1 1.789 0.020 . 2 . . . . A 7 LYS HB3 . 34314 1 73 . 1 1 7 7 LYS HG2 H 1 1.315 0.020 . 2 . . . . A 7 LYS HG2 . 34314 1 74 . 1 1 7 7 LYS HG3 H 1 1.502 0.020 . 2 . . . . A 7 LYS HG3 . 34314 1 75 . 1 1 7 7 LYS HD2 H 1 1.624 0.020 . 2 . . . . A 7 LYS HD2 . 34314 1 76 . 1 1 7 7 LYS HD3 H 1 1.624 0.020 . 2 . . . . A 7 LYS HD3 . 34314 1 77 . 1 1 7 7 LYS HE2 H 1 2.812 0.020 . 2 . . . . A 7 LYS HE2 . 34314 1 78 . 1 1 7 7 LYS HE3 H 1 2.812 0.020 . 2 . . . . A 7 LYS HE3 . 34314 1 79 . 1 1 7 7 LYS CA C 13 60.405 0.400 . 1 . . . . A 7 LYS CA . 34314 1 80 . 1 1 7 7 LYS CB C 13 32.490 0.400 . 1 . . . . A 7 LYS CB . 34314 1 81 . 1 1 7 7 LYS CG C 13 25.590 0.400 . 1 . . . . A 7 LYS CG . 34314 1 82 . 1 1 7 7 LYS CD C 13 29.796 0.400 . 1 . . . . A 7 LYS CD . 34314 1 83 . 1 1 7 7 LYS CE C 13 41.976 0.400 . 1 . . . . A 7 LYS CE . 34314 1 84 . 1 1 8 8 LYS H H 1 7.403 0.020 . 1 . . . . A 8 LYS H . 34314 1 85 . 1 1 8 8 LYS HA H 1 5.707 0.020 . 1 . . . . A 8 LYS HA . 34314 1 86 . 1 1 8 8 LYS HB2 H 1 2.022 0.020 . 2 . . . . A 8 LYS HB2 . 34314 1 87 . 1 1 8 8 LYS HB3 H 1 2.022 0.020 . 2 . . . . A 8 LYS HB3 . 34314 1 88 . 1 1 8 8 LYS HG2 H 1 1.416 0.020 . 2 . . . . A 8 LYS HG2 . 34314 1 89 . 1 1 8 8 LYS HG3 H 1 1.634 0.020 . 2 . . . . A 8 LYS HG3 . 34314 1 90 . 1 1 8 8 LYS HD2 H 1 1.668 0.020 . 2 . . . . A 8 LYS HD2 . 34314 1 91 . 1 1 8 8 LYS HD3 H 1 1.668 0.020 . 2 . . . . A 8 LYS HD3 . 34314 1 92 . 1 1 8 8 LYS HE2 H 1 2.955 0.020 . 2 . . . . A 8 LYS HE2 . 34314 1 93 . 1 1 8 8 LYS HE3 H 1 2.955 0.020 . 2 . . . . A 8 LYS HE3 . 34314 1 94 . 1 1 8 8 LYS CA C 13 59.729 0.400 . 1 . . . . A 8 LYS CA . 34314 1 95 . 1 1 8 8 LYS CB C 13 32.474 0.400 . 1 . . . . A 8 LYS CB . 34314 1 96 . 1 1 8 8 LYS CG C 13 25.371 0.400 . 1 . . . . A 8 LYS CG . 34314 1 97 . 1 1 8 8 LYS CD C 13 29.403 0.400 . 1 . . . . A 8 LYS CD . 34314 1 98 . 1 1 8 8 LYS CE C 13 42.107 0.400 . 1 . . . . A 8 LYS CE . 34314 1 99 . 1 1 9 9 VAL H H 1 8.280 0.020 . 1 . . . . A 9 VAL H . 34314 1 100 . 1 1 9 9 VAL HA H 1 3.590 0.020 . 1 . . . . A 9 VAL HA . 34314 1 101 . 1 1 9 9 VAL HB H 1 2.208 0.020 . 1 . . . . A 9 VAL HB . 34314 1 102 . 1 1 9 9 VAL HG11 H 1 1.007 0.020 . 2 . . . . A 9 VAL HG11 . 34314 1 103 . 1 1 9 9 VAL HG12 H 1 1.007 0.020 . 2 . . . . A 9 VAL HG12 . 34314 1 104 . 1 1 9 9 VAL HG13 H 1 1.007 0.020 . 2 . . . . A 9 VAL HG13 . 34314 1 105 . 1 1 9 9 VAL HG21 H 1 0.909 0.020 . 2 . . . . A 9 VAL HG21 . 34314 1 106 . 1 1 9 9 VAL HG22 H 1 0.909 0.020 . 2 . . . . A 9 VAL HG22 . 34314 1 107 . 1 1 9 9 VAL HG23 H 1 0.909 0.020 . 2 . . . . A 9 VAL HG23 . 34314 1 108 . 1 1 9 9 VAL CA C 13 66.955 0.400 . 1 . . . . A 9 VAL CA . 34314 1 109 . 1 1 9 9 VAL CB C 13 31.695 0.400 . 1 . . . . A 9 VAL CB . 34314 1 110 . 1 1 9 9 VAL CG1 C 13 22.128 0.400 . 1 . . . . A 9 VAL CG1 . 34314 1 111 . 1 1 9 9 VAL CG2 C 13 20.686 0.400 . 1 . . . . A 9 VAL CG2 . 34314 1 112 . 1 1 10 10 LEU H H 1 8.593 0.020 . 1 . . . . A 10 LEU H . 34314 1 113 . 1 1 10 10 LEU HA H 1 3.994 0.020 . 1 . . . . A 10 LEU HA . 34314 1 114 . 1 1 10 10 LEU HB2 H 1 1.394 0.020 . 2 . . . . A 10 LEU HB2 . 34314 1 115 . 1 1 10 10 LEU HB3 H 1 1.864 0.020 . 2 . . . . A 10 LEU HB3 . 34314 1 116 . 1 1 10 10 LEU HG H 1 1.870 0.020 . 1 . . . . A 10 LEU HG . 34314 1 117 . 1 1 10 10 LEU HD11 H 1 0.812 0.020 . 2 . . . . A 10 LEU HD11 . 34314 1 118 . 1 1 10 10 LEU HD12 H 1 0.812 0.020 . 2 . . . . A 10 LEU HD12 . 34314 1 119 . 1 1 10 10 LEU HD13 H 1 0.812 0.020 . 2 . . . . A 10 LEU HD13 . 34314 1 120 . 1 1 10 10 LEU HD21 H 1 0.827 0.020 . 2 . . . . A 10 LEU HD21 . 34314 1 121 . 1 1 10 10 LEU HD22 H 1 0.827 0.020 . 2 . . . . A 10 LEU HD22 . 34314 1 122 . 1 1 10 10 LEU HD23 H 1 0.827 0.020 . 2 . . . . A 10 LEU HD23 . 34314 1 123 . 1 1 10 10 LEU CA C 13 58.386 0.400 . 1 . . . . A 10 LEU CA . 34314 1 124 . 1 1 10 10 LEU CB C 13 41.678 0.400 . 1 . . . . A 10 LEU CB . 34314 1 125 . 1 1 10 10 LEU CG C 13 26.689 0.400 . 1 . . . . A 10 LEU CG . 34314 1 126 . 1 1 10 10 LEU CD1 C 13 22.141 0.400 . 1 . . . . A 10 LEU CD1 . 34314 1 127 . 1 1 10 10 LEU CD2 C 13 24.914 0.400 . 1 . . . . A 10 LEU CD2 . 34314 1 128 . 1 1 11 11 LYS H H 1 7.693 0.020 . 1 . . . . A 11 LYS H . 34314 1 129 . 1 1 11 11 LYS HA H 1 3.964 0.020 . 1 . . . . A 11 LYS HA . 34314 1 130 . 1 1 11 11 LYS HB2 H 1 1.977 0.020 . 2 . . . . A 11 LYS HB2 . 34314 1 131 . 1 1 11 11 LYS HB3 H 1 1.977 0.020 . 2 . . . . A 11 LYS HB3 . 34314 1 132 . 1 1 11 11 LYS HG2 H 1 1.437 0.020 . 2 . . . . A 11 LYS HG2 . 34314 1 133 . 1 1 11 11 LYS HG3 H 1 1.587 0.020 . 2 . . . . A 11 LYS HG3 . 34314 1 134 . 1 1 11 11 LYS HD2 H 1 1.699 0.020 . 2 . . . . A 11 LYS HD2 . 34314 1 135 . 1 1 11 11 LYS HD3 H 1 1.699 0.020 . 2 . . . . A 11 LYS HD3 . 34314 1 136 . 1 1 11 11 LYS HE2 H 1 2.968 0.020 . 2 . . . . A 11 LYS HE2 . 34314 1 137 . 1 1 11 11 LYS HE3 H 1 2.968 0.020 . 2 . . . . A 11 LYS HE3 . 34314 1 138 . 1 1 11 11 LYS CA C 13 59.363 0.400 . 1 . . . . A 11 LYS CA . 34314 1 139 . 1 1 11 11 LYS CB C 13 32.359 0.400 . 1 . . . . A 11 LYS CB . 34314 1 140 . 1 1 11 11 LYS CG C 13 25.246 0.400 . 1 . . . . A 11 LYS CG . 34314 1 141 . 1 1 11 11 LYS CD C 13 29.338 0.400 . 1 . . . . A 11 LYS CD . 34314 1 142 . 1 1 11 11 LYS CE C 13 42.154 0.400 . 1 . . . . A 11 LYS CE . 34314 1 143 . 1 1 12 12 LEU H H 1 7.884 0.020 . 1 . . . . A 12 LEU H . 34314 1 144 . 1 1 12 12 LEU HA H 1 4.131 0.020 . 1 . . . . A 12 LEU HA . 34314 1 145 . 1 1 12 12 LEU HB2 H 1 1.694 0.020 . 2 . . . . A 12 LEU HB2 . 34314 1 146 . 1 1 12 12 LEU HB3 H 1 1.946 0.020 . 2 . . . . A 12 LEU HB3 . 34314 1 147 . 1 1 12 12 LEU HG H 1 1.770 0.020 . 1 . . . . A 12 LEU HG . 34314 1 148 . 1 1 12 12 LEU HD11 H 1 0.876 0.020 . 2 . . . . A 12 LEU HD11 . 34314 1 149 . 1 1 12 12 LEU HD12 H 1 0.876 0.020 . 2 . . . . A 12 LEU HD12 . 34314 1 150 . 1 1 12 12 LEU HD13 H 1 0.876 0.020 . 2 . . . . A 12 LEU HD13 . 34314 1 151 . 1 1 12 12 LEU HD21 H 1 0.895 0.020 . 2 . . . . A 12 LEU HD21 . 34314 1 152 . 1 1 12 12 LEU HD22 H 1 0.895 0.020 . 2 . . . . A 12 LEU HD22 . 34314 1 153 . 1 1 12 12 LEU HD23 H 1 0.895 0.020 . 2 . . . . A 12 LEU HD23 . 34314 1 154 . 1 1 12 12 LEU CA C 13 57.608 0.400 . 1 . . . . A 12 LEU CA . 34314 1 155 . 1 1 12 12 LEU CB C 13 42.026 0.400 . 1 . . . . A 12 LEU CB . 34314 1 156 . 1 1 12 12 LEU CG C 13 26.802 0.400 . 1 . . . . A 12 LEU CG . 34314 1 157 . 1 1 12 12 LEU CD1 C 13 23.195 0.400 . 1 . . . . A 12 LEU CD1 . 34314 1 158 . 1 1 12 12 LEU CD2 C 13 24.378 0.400 . 1 . . . . A 12 LEU CD2 . 34314 1 159 . 1 1 13 13 LEU H H 1 8.350 0.020 . 1 . . . . A 13 LEU H . 34314 1 160 . 1 1 13 13 LEU HA H 1 4.146 0.020 . 1 . . . . A 13 LEU HA . 34314 1 161 . 1 1 13 13 LEU HB2 H 1 1.494 0.020 . 2 . . . . A 13 LEU HB2 . 34314 1 162 . 1 1 13 13 LEU HB3 H 1 1.851 0.020 . 2 . . . . A 13 LEU HB3 . 34314 1 163 . 1 1 13 13 LEU HG H 1 1.885 0.020 . 1 . . . . A 13 LEU HG . 34314 1 164 . 1 1 13 13 LEU HD11 H 1 0.822 0.020 . 2 . . . . A 13 LEU HD11 . 34314 1 165 . 1 1 13 13 LEU HD12 H 1 0.822 0.020 . 2 . . . . A 13 LEU HD12 . 34314 1 166 . 1 1 13 13 LEU HD13 H 1 0.822 0.020 . 2 . . . . A 13 LEU HD13 . 34314 1 167 . 1 1 13 13 LEU HD21 H 1 0.830 0.020 . 2 . . . . A 13 LEU HD21 . 34314 1 168 . 1 1 13 13 LEU HD22 H 1 0.830 0.020 . 2 . . . . A 13 LEU HD22 . 34314 1 169 . 1 1 13 13 LEU HD23 H 1 0.830 0.020 . 2 . . . . A 13 LEU HD23 . 34314 1 170 . 1 1 13 13 LEU CA C 13 57.012 0.400 . 1 . . . . A 13 LEU CA . 34314 1 171 . 1 1 13 13 LEU CB C 13 42.443 0.400 . 1 . . . . A 13 LEU CB . 34314 1 172 . 1 1 13 13 LEU CG C 13 26.586 0.400 . 1 . . . . A 13 LEU CG . 34314 1 173 . 1 1 13 13 LEU CD1 C 13 21.983 0.400 . 1 . . . . A 13 LEU CD1 . 34314 1 174 . 1 1 13 13 LEU CD2 C 13 24.999 0.400 . 1 . . . . A 13 LEU CD2 . 34314 1 175 . 1 1 14 14 LYS H H 1 8.034 0.020 . 1 . . . . A 14 LYS H . 34314 1 176 . 1 1 14 14 LYS HA H 1 4.212 0.020 . 1 . . . . A 14 LYS HA . 34314 1 177 . 1 1 14 14 LYS HB2 H 1 1.914 0.020 . 2 . . . . A 14 LYS HB2 . 34314 1 178 . 1 1 14 14 LYS HB3 H 1 1.914 0.020 . 2 . . . . A 14 LYS HB3 . 34314 1 179 . 1 1 14 14 LYS HG2 H 1 1.482 0.020 . 2 . . . . A 14 LYS HG2 . 34314 1 180 . 1 1 14 14 LYS HG3 H 1 1.548 0.020 . 2 . . . . A 14 LYS HG3 . 34314 1 181 . 1 1 14 14 LYS HD2 H 1 1.678 0.020 . 2 . . . . A 14 LYS HD2 . 34314 1 182 . 1 1 14 14 LYS HD3 H 1 1.678 0.020 . 2 . . . . A 14 LYS HD3 . 34314 1 183 . 1 1 14 14 LYS HE2 H 1 2.960 0.020 . 2 . . . . A 14 LYS HE2 . 34314 1 184 . 1 1 14 14 LYS HE3 H 1 2.960 0.020 . 2 . . . . A 14 LYS HE3 . 34314 1 185 . 1 1 14 14 LYS CA C 13 56.459 0.400 . 1 . . . . A 14 LYS CA . 34314 1 186 . 1 1 14 14 LYS CB C 13 32.623 0.400 . 1 . . . . A 14 LYS CB . 34314 1 187 . 1 1 14 14 LYS CG C 13 24.833 0.400 . 1 . . . . A 14 LYS CG . 34314 1 188 . 1 1 14 14 LYS CD C 13 29.299 0.400 . 1 . . . . A 14 LYS CD . 34314 1 189 . 1 1 14 14 LYS CE C 13 42.178 0.400 . 1 . . . . A 14 LYS CE . 34314 1 190 . 1 1 15 15 NH2 HN1 H 1 7.181 0.020 . 2 . . . . A 15 NH2 HN1 . 34314 1 191 . 1 1 15 15 NH2 HN2 H 1 7.019 0.020 . 2 . . . . A 15 NH2 HN2 . 34314 1 stop_ save_