################################### # 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 31047 _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' . . . 31047 1 2 '2D 1H-1H NOESY' . . . 31047 1 3 '2D 1H-13C HSQC' . . . 31047 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 3.954 0.0 . 1 . . 6 . B 1 ILE HA . 31047 1 2 . 1 . 1 1 1 ILE HG21 H 1 1.001 0.0 . 1 . . 118 . B 1 ILE HG21 . 31047 1 3 . 1 . 1 1 1 ILE HG22 H 1 1.001 0.0 . 1 . . 118 . B 1 ILE HG22 . 31047 1 4 . 1 . 1 1 1 ILE HG23 H 1 1.001 0.0 . 1 . . 118 . B 1 ILE HG23 . 31047 1 5 . 1 . 1 1 1 ILE HD11 H 1 0.945 0.0 . 1 . . 121 . B 1 ILE HD11 . 31047 1 6 . 1 . 1 1 1 ILE HD12 H 1 0.945 0.0 . 1 . . 121 . B 1 ILE HD12 . 31047 1 7 . 1 . 1 1 1 ILE HD13 H 1 0.945 0.0 . 1 . . 121 . B 1 ILE HD13 . 31047 1 8 . 1 . 1 1 1 ILE CG2 C 13 16.489 . . 1 . . 119 . B 1 ILE CG2 . 31047 1 9 . 1 . 1 1 1 ILE CD1 C 13 14.013 . . 1 . . 120 . B 1 ILE CD1 . 31047 1 10 . 1 . 1 2 2 ASN H H 1 8.566 0.0 . 1 . . 1 . B 2 ASN H . 31047 1 11 . 1 . 1 2 2 ASN HA H 1 5.013 0.001 . 1 . . 2 . B 2 ASN HA . 31047 1 12 . 1 . 1 2 2 ASN HB2 H 1 2.776 0.0 . 2 . . 5 . B 2 ASN HB2 . 31047 1 13 . 1 . 1 2 2 ASN HB3 H 1 3.049 0.0 . 2 . . 4 . B 2 ASN HB3 . 31047 1 14 . 1 . 1 2 2 ASN HD21 H 1 7.741 0.0 . 1 . . 165 . B 2 ASN HD21 . 31047 1 15 . 1 . 1 2 2 ASN HD22 H 1 6.919 0.0 . 1 . . 166 . B 2 ASN HD22 . 31047 1 16 . 1 . 1 2 2 ASN CA C 13 52.159 . . 1 . . 3 . B 2 ASN CA . 31047 1 17 . 1 . 1 3 3 LEU H H 1 8.695 0.0 . 1 . . 19 . B 3 LEU H . 31047 1 18 . 1 . 1 3 3 LEU HA H 1 4.100 0.0 . 1 . . 20 . B 3 LEU HA . 31047 1 19 . 1 . 1 3 3 LEU HB2 H 1 1.827 0.0 . 2 . . 160 . B 3 LEU HB2 . 31047 1 20 . 1 . 1 3 3 LEU HB3 H 1 1.827 0.0 . 2 . . 159 . B 3 LEU HB3 . 31047 1 21 . 1 . 1 3 3 LEU HD11 H 1 0.900 0.0 . 2 . . 74 . B 3 LEU HD11 . 31047 1 22 . 1 . 1 3 3 LEU HD12 H 1 0.900 0.0 . 2 . . 74 . B 3 LEU HD12 . 31047 1 23 . 1 . 1 3 3 LEU HD13 H 1 0.900 0.0 . 2 . . 74 . B 3 LEU HD13 . 31047 1 24 . 1 . 1 3 3 LEU HD21 H 1 1.015 0.0 . 2 . . 156 . B 3 LEU HD21 . 31047 1 25 . 1 . 1 3 3 LEU HD22 H 1 1.015 0.0 . 2 . . 156 . B 3 LEU HD22 . 31047 1 26 . 1 . 1 3 3 LEU HD23 H 1 1.015 0.0 . 2 . . 156 . B 3 LEU HD23 . 31047 1 27 . 1 . 1 3 3 LEU CA C 13 58.303 . . 1 . . 21 . B 3 LEU CA . 31047 1 28 . 1 . 1 3 3 LEU CB C 13 41.585 . . 1 . . 161 . B 3 LEU CB . 31047 1 29 . 1 . 1 3 3 LEU CD1 C 13 23.568 . . 2 . . 79 . B 3 LEU CD1 . 31047 1 30 . 1 . 1 3 3 LEU CD2 C 13 25.579 . . 2 . . 155 . B 3 LEU CD2 . 31047 1 31 . 1 . 1 4 4 LYS H H 1 8.148 0.0 . 1 . . 24 . B 4 LYS H . 31047 1 32 . 1 . 1 4 4 LYS HA H 1 3.952 0.0 . 1 . . 25 . B 4 LYS HA . 31047 1 33 . 1 . 1 4 4 LYS HB2 H 1 1.927 0.0 . 2 . . 81 . B 4 LYS HB2 . 31047 1 34 . 1 . 1 4 4 LYS HB3 H 1 1.927 0.0 . 2 . . 80 . B 4 LYS HB3 . 31047 1 35 . 1 . 1 4 4 LYS HG2 H 1 1.415 0.0 . 2 . . 84 . B 4 LYS HG2 . 31047 1 36 . 1 . 1 4 4 LYS HG3 H 1 1.415 0.0 . 2 . . 83 . B 4 LYS HG3 . 31047 1 37 . 1 . 1 4 4 LYS HD2 H 1 1.671 0.0 . 2 . . 87 . B 4 LYS HD2 . 31047 1 38 . 1 . 1 4 4 LYS HD3 H 1 1.671 0.0 . 2 . . 86 . B 4 LYS HD3 . 31047 1 39 . 1 . 1 4 4 LYS HE2 H 1 3.037 0.0 . 1 . . 89 . B 4 LYS HE2 . 31047 1 40 . 1 . 1 4 4 LYS HE3 H 1 3.037 0.0 . 1 . . 88 . B 4 LYS HE3 . 31047 1 41 . 1 . 1 4 4 LYS CA C 13 60.206 . . 1 . . 26 . B 4 LYS CA . 31047 1 42 . 1 . 1 4 4 LYS CB C 13 32.310 . . 1 . . 82 . B 4 LYS CB . 31047 1 43 . 1 . 1 4 4 LYS CG C 13 25.687 . . 1 . . 85 . B 4 LYS CG . 31047 1 44 . 1 . 1 4 4 LYS CE C 13 42.123 . . 1 . . 90 . B 4 LYS CE . 31047 1 45 . 1 . 1 5 5 LYS H H 1 7.782 0.0 . 1 . . 27 . B 5 LYS H . 31047 1 46 . 1 . 1 5 5 LYS HA H 1 4.050 0.0 . 1 . . 28 . B 5 LYS HA . 31047 1 47 . 1 . 1 5 5 LYS HB2 H 1 1.866 0.0 . 2 . . 96 . B 5 LYS HB2 . 31047 1 48 . 1 . 1 5 5 LYS HB3 H 1 1.944 0.0 . 2 . . 91 . B 5 LYS HB3 . 31047 1 49 . 1 . 1 5 5 LYS HG2 H 1 1.495 0.0 . 2 . . 98 . B 5 LYS HG2 . 31047 1 50 . 1 . 1 5 5 LYS HG3 H 1 1.495 0.0 . 2 . . 97 . B 5 LYS HG3 . 31047 1 51 . 1 . 1 5 5 LYS HD2 H 1 1.723 0.0 . 2 . . 94 . B 5 LYS HD2 . 31047 1 52 . 1 . 1 5 5 LYS HD3 H 1 1.723 0.0 . 2 . . 93 . B 5 LYS HD3 . 31047 1 53 . 1 . 1 5 5 LYS HE2 H 1 3.011 0.0 . 2 . . 102 . B 5 LYS HE2 . 31047 1 54 . 1 . 1 5 5 LYS HE3 H 1 3.011 0.0 . 2 . . 101 . B 5 LYS HE3 . 31047 1 55 . 1 . 1 5 5 LYS CA C 13 58.969 . . 1 . . 29 . B 5 LYS CA . 31047 1 56 . 1 . 1 5 5 LYS CB C 13 32.342 0.0 . 1 . . 92 . B 5 LYS CB . 31047 1 57 . 1 . 1 5 5 LYS CG C 13 24.972 . . 1 . . 99 . B 5 LYS CG . 31047 1 58 . 1 . 1 5 5 LYS CD C 13 29.239 . . 1 . . 95 . B 5 LYS CD . 31047 1 59 . 1 . 1 5 5 LYS CE C 13 42.127 . . 1 . . 100 . B 5 LYS CE . 31047 1 60 . 1 . 1 6 6 LEU H H 1 7.871 0.0 . 1 . . 46 . B 6 LEU H . 31047 1 61 . 1 . 1 6 6 LEU HA H 1 4.141 0.004 . 1 . . 47 . B 6 LEU HA . 31047 1 62 . 1 . 1 6 6 LEU HB2 H 1 1.829 0.0 . 2 . . 153 . B 6 LEU HB2 . 31047 1 63 . 1 . 1 6 6 LEU HB3 H 1 1.829 0.0 . 2 . . 152 . B 6 LEU HB3 . 31047 1 64 . 1 . 1 6 6 LEU HD11 H 1 0.935 0.0 . 2 . . 149 . B 6 LEU HD11 . 31047 1 65 . 1 . 1 6 6 LEU HD12 H 1 0.935 0.0 . 2 . . 149 . B 6 LEU HD12 . 31047 1 66 . 1 . 1 6 6 LEU HD13 H 1 0.935 0.0 . 2 . . 149 . B 6 LEU HD13 . 31047 1 67 . 1 . 1 6 6 LEU HD21 H 1 0.999 0.0 . 2 . . 151 . B 6 LEU HD21 . 31047 1 68 . 1 . 1 6 6 LEU HD22 H 1 0.999 0.0 . 2 . . 151 . B 6 LEU HD22 . 31047 1 69 . 1 . 1 6 6 LEU HD23 H 1 0.999 0.0 . 2 . . 151 . B 6 LEU HD23 . 31047 1 70 . 1 . 1 6 6 LEU CA C 13 57.959 . . 1 . . 48 . B 6 LEU CA . 31047 1 71 . 1 . 1 6 6 LEU CB C 13 41.648 . . 1 . . 154 . B 6 LEU CB . 31047 1 72 . 1 . 1 6 6 LEU CD1 C 13 25.524 . . 2 . . 148 . B 6 LEU CD1 . 31047 1 73 . 1 . 1 6 6 LEU CD2 C 13 23.985 . . 2 . . 150 . B 6 LEU CD2 . 31047 1 74 . 1 . 1 7 7 ALA H H 1 8.533 0.0 . 1 . . 40 . B 7 ALA H . 31047 1 75 . 1 . 1 7 7 ALA HA H 1 3.935 0.001 . 1 . . 41 . B 7 ALA HA . 31047 1 76 . 1 . 1 7 7 ALA HB1 H 1 1.532 0.001 . 1 . . 75 . B 7 ALA HB1 . 31047 1 77 . 1 . 1 7 7 ALA HB2 H 1 1.532 0.001 . 1 . . 75 . B 7 ALA HB2 . 31047 1 78 . 1 . 1 7 7 ALA HB3 H 1 1.532 0.001 . 1 . . 75 . B 7 ALA HB3 . 31047 1 79 . 1 . 1 7 7 ALA CA C 13 55.380 . . 1 . . 45 . B 7 ALA CA . 31047 1 80 . 1 . 1 7 7 ALA CB C 13 18.244 . . 1 . . 78 . B 7 ALA CB . 31047 1 81 . 1 . 1 8 8 ALA H H 1 7.902 0.0 . 1 . . 42 . B 8 ALA H . 31047 1 82 . 1 . 1 8 8 ALA HA H 1 4.072 0.001 . 1 . . 43 . B 8 ALA HA . 31047 1 83 . 1 . 1 8 8 ALA HB1 H 1 1.554 0.0 . 1 . . 76 . B 8 ALA HB1 . 31047 1 84 . 1 . 1 8 8 ALA HB2 H 1 1.554 0.0 . 1 . . 76 . B 8 ALA HB2 . 31047 1 85 . 1 . 1 8 8 ALA HB3 H 1 1.554 0.0 . 1 . . 76 . B 8 ALA HB3 . 31047 1 86 . 1 . 1 8 8 ALA CA C 13 55.175 . . 1 . . 44 . B 8 ALA CA . 31047 1 87 . 1 . 1 8 8 ALA CB C 13 18.221 . . 1 . . 77 . B 8 ALA CB . 31047 1 88 . 1 . 1 9 9 ARG H H 1 7.872 0.0 . 1 . . 49 . B 9 ARG H . 31047 1 89 . 1 . 1 9 9 ARG HA H 1 4.083 0.0 . 1 . . 50 . B 9 ARG HA . 31047 1 90 . 1 . 1 9 9 ARG HB2 H 1 2.102 0.0 . 2 . . 108 . B 9 ARG HB2 . 31047 1 91 . 1 . 1 9 9 ARG HB3 H 1 2.102 0.0 . 2 . . 107 . B 9 ARG HB3 . 31047 1 92 . 1 . 1 9 9 ARG HG2 H 1 1.687 0.0 . 2 . . 164 . B 9 ARG HG2 . 31047 1 93 . 1 . 1 9 9 ARG HG3 H 1 1.687 0.0 . 2 . . 163 . B 9 ARG HG3 . 31047 1 94 . 1 . 1 9 9 ARG HD2 H 1 3.193 0.001 . 2 . . 104 . B 9 ARG HD2 . 31047 1 95 . 1 . 1 9 9 ARG HD3 H 1 3.193 0.001 . 2 . . 103 . B 9 ARG HD3 . 31047 1 96 . 1 . 1 9 9 ARG HE H 1 7.335 0.0 . 1 . . 106 . B 9 ARG HE . 31047 1 97 . 1 . 1 9 9 ARG CA C 13 58.860 . . 1 . . 51 . B 9 ARG CA . 31047 1 98 . 1 . 1 9 9 ARG CB C 13 30.402 . . 1 . . 109 . B 9 ARG CB . 31047 1 99 . 1 . 1 9 9 ARG CG C 13 27.703 . . 1 . . 162 . B 9 ARG CG . 31047 1 100 . 1 . 1 9 9 ARG CD C 13 43.768 . . 1 . . 105 . B 9 ARG CD . 31047 1 101 . 1 . 1 10 10 ILE H H 1 8.119 0.0 . 1 . . 7 . B 10 ILE H . 31047 1 102 . 1 . 1 10 10 ILE HA H 1 3.623 0.0 . 1 . . 8 . B 10 ILE HA . 31047 1 103 . 1 . 1 10 10 ILE HB H 1 2.000 0.0 . 1 . . 10 . B 10 ILE HB . 31047 1 104 . 1 . 1 10 10 ILE HG12 H 1 1.061 0.0 . 2 . . 17 . B 10 ILE HG12 . 31047 1 105 . 1 . 1 10 10 ILE HG13 H 1 1.061 0.0 . 2 . . 16 . B 10 ILE HG13 . 31047 1 106 . 1 . 1 10 10 ILE HG21 H 1 0.920 0.0 . 1 . . 12 . B 10 ILE HG21 . 31047 1 107 . 1 . 1 10 10 ILE HG22 H 1 0.920 0.0 . 1 . . 12 . B 10 ILE HG22 . 31047 1 108 . 1 . 1 10 10 ILE HG23 H 1 0.920 0.0 . 1 . . 12 . B 10 ILE HG23 . 31047 1 109 . 1 . 1 10 10 ILE HD11 H 1 0.845 0.0 . 1 . . 14 . B 10 ILE HD11 . 31047 1 110 . 1 . 1 10 10 ILE HD12 H 1 0.845 0.0 . 1 . . 14 . B 10 ILE HD12 . 31047 1 111 . 1 . 1 10 10 ILE HD13 H 1 0.845 0.0 . 1 . . 14 . B 10 ILE HD13 . 31047 1 112 . 1 . 1 10 10 ILE CA C 13 59.602 0.001 . 1 . . 9 . B 10 ILE CA . 31047 1 113 . 1 . 1 10 10 ILE CB C 13 39.115 . . 1 . . 11 . B 10 ILE CB . 31047 1 114 . 1 . 1 10 10 ILE CG1 C 13 31.280 . . 1 . . 18 . B 10 ILE CG1 . 31047 1 115 . 1 . 1 10 10 ILE CG2 C 13 17.803 . . 1 . . 13 . B 10 ILE CG2 . 31047 1 116 . 1 . 1 10 10 ILE CD1 C 13 13.562 . . 1 . . 15 . B 10 ILE CD1 . 31047 1 117 . 1 . 1 11 11 LYS H H 1 8.523 0.0 . 1 . . 31 . B 11 LYS H . 31047 1 118 . 1 . 1 11 11 LYS HA H 1 3.874 0.0 . 1 . . 32 . B 11 LYS HA . 31047 1 119 . 1 . 1 11 11 LYS HB2 H 1 1.990 0.001 . 2 . . 117 . B 11 LYS HB2 . 31047 1 120 . 1 . 1 11 11 LYS HB3 H 1 1.870 0.0 . 2 . . 126 . B 11 LYS HB3 . 31047 1 121 . 1 . 1 11 11 LYS HG2 H 1 1.468 0.0 . 2 . . 131 . B 11 LYS HG2 . 31047 1 122 . 1 . 1 11 11 LYS HG3 H 1 1.468 0.0 . 2 . . 130 . B 11 LYS HG3 . 31047 1 123 . 1 . 1 11 11 LYS HD2 H 1 1.701 0.0 . 2 . . 128 . B 11 LYS HD2 . 31047 1 124 . 1 . 1 11 11 LYS HD3 H 1 1.701 0.0 . 2 . . 127 . B 11 LYS HD3 . 31047 1 125 . 1 . 1 11 11 LYS CA C 13 59.859 . . 1 . . 33 . B 11 LYS CA . 31047 1 126 . 1 . 1 11 11 LYS CB C 13 32.368 0.0 . 1 . . 116 . B 11 LYS CB . 31047 1 127 . 1 . 1 11 11 LYS CG C 13 25.022 . . 1 . . 132 . B 11 LYS CG . 31047 1 128 . 1 . 1 11 11 LYS CD C 13 29.298 . . 1 . . 129 . B 11 LYS CD . 31047 1 129 . 1 . 1 12 12 LYS H H 1 7.740 0.0 . 1 . . 34 . B 12 LYS H . 31047 1 130 . 1 . 1 12 12 LYS HA H 1 4.062 0.0 . 1 . . 35 . B 12 LYS HA . 31047 1 131 . 1 . 1 12 12 LYS HB2 H 1 1.944 0.0 . 2 . . 141 . B 12 LYS HB2 . 31047 1 132 . 1 . 1 12 12 LYS HB3 H 1 1.944 0.0 . 2 . . 140 . B 12 LYS HB3 . 31047 1 133 . 1 . 1 12 12 LYS HG2 H 1 1.543 0.0 . 1 . . 135 . B 12 LYS HG2 . 31047 1 134 . 1 . 1 12 12 LYS HG3 H 1 1.543 0.0 . 1 . . 134 . B 12 LYS HG3 . 31047 1 135 . 1 . 1 12 12 LYS HD2 H 1 1.727 0.0 . 2 . . 138 . B 12 LYS HD2 . 31047 1 136 . 1 . 1 12 12 LYS HD3 H 1 1.727 0.0 . 2 . . 137 . B 12 LYS HD3 . 31047 1 137 . 1 . 1 12 12 LYS CA C 13 58.810 . . 1 . . 36 . B 12 LYS CA . 31047 1 138 . 1 . 1 12 12 LYS CB C 13 32.448 . . 1 . . 139 . B 12 LYS CB . 31047 1 139 . 1 . 1 12 12 LYS CG C 13 25.156 0.0 . 1 . . 133 . B 12 LYS CG . 31047 1 140 . 1 . 1 12 12 LYS CD C 13 29.397 . . 1 . . 136 . B 12 LYS CD . 31047 1 141 . 1 . 1 13 13 LYS H H 1 7.660 0.0 . 1 . . 22 . B 13 LYS H . 31047 1 142 . 1 . 1 13 13 LYS HA H 1 4.255 0.0 . 1 . . 23 . B 13 LYS HA . 31047 1 143 . 1 . 1 13 13 LYS HB2 H 1 2.017 0.0 . 2 . . 114 . B 13 LYS HB2 . 31047 1 144 . 1 . 1 13 13 LYS HB3 H 1 2.017 0.0 . 2 . . 113 . B 13 LYS HB3 . 31047 1 145 . 1 . 1 13 13 LYS HG2 H 1 1.509 0.0 . 2 . . 112 . B 13 LYS HG2 . 31047 1 146 . 1 . 1 13 13 LYS HG3 H 1 1.509 0.0 . 2 . . 111 . B 13 LYS HG3 . 31047 1 147 . 1 . 1 13 13 LYS HD2 H 1 1.729 0.0 . 2 . . 143 . B 13 LYS HD2 . 31047 1 148 . 1 . 1 13 13 LYS HD3 H 1 1.729 0.0 . 2 . . 142 . B 13 LYS HD3 . 31047 1 149 . 1 . 1 13 13 LYS HE2 H 1 3.001 0.0 . 2 . . 147 . B 13 LYS HE2 . 31047 1 150 . 1 . 1 13 13 LYS HE3 H 1 3.001 0.0 . 2 . . 146 . B 13 LYS HE3 . 31047 1 151 . 1 . 1 13 13 LYS CA C 13 57.211 . . 1 . . 30 . B 13 LYS CA . 31047 1 152 . 1 . 1 13 13 LYS CB C 13 32.394 . . 1 . . 115 . B 13 LYS CB . 31047 1 153 . 1 . 1 13 13 LYS CG C 13 25.105 . . 1 . . 110 . B 13 LYS CG . 31047 1 154 . 1 . 1 13 13 LYS CD C 13 29.295 . . 1 . . 144 . B 13 LYS CD . 31047 1 155 . 1 . 1 13 13 LYS CE C 13 42.167 . . 1 . . 145 . B 13 LYS CE . 31047 1 156 . 1 . 1 14 14 ILE H H 1 7.894 0.0 . 1 . . 37 . B 14 ILE H . 31047 1 157 . 1 . 1 14 14 ILE HA H 1 4.046 0.0 . 1 . . 38 . B 14 ILE HA . 31047 1 158 . 1 . 1 14 14 ILE HB H 1 1.967 0.0 . 1 . . 158 . B 14 ILE HB . 31047 1 159 . 1 . 1 14 14 ILE HG21 H 1 0.980 0.0 . 1 . . 123 . B 14 ILE HG21 . 31047 1 160 . 1 . 1 14 14 ILE HG22 H 1 0.980 0.0 . 1 . . 123 . B 14 ILE HG22 . 31047 1 161 . 1 . 1 14 14 ILE HG23 H 1 0.980 0.0 . 1 . . 123 . B 14 ILE HG23 . 31047 1 162 . 1 . 1 14 14 ILE HD11 H 1 0.861 0.0 . 1 . . 125 . B 14 ILE HD11 . 31047 1 163 . 1 . 1 14 14 ILE HD12 H 1 0.861 0.0 . 1 . . 125 . B 14 ILE HD12 . 31047 1 164 . 1 . 1 14 14 ILE HD13 H 1 0.861 0.0 . 1 . . 125 . B 14 ILE HD13 . 31047 1 165 . 1 . 1 14 14 ILE CA C 13 62.422 . . 1 . . 39 . B 14 ILE CA . 31047 1 166 . 1 . 1 14 14 ILE CB C 13 38.698 . . 1 . . 157 . B 14 ILE CB . 31047 1 167 . 1 . 1 14 14 ILE CG2 C 13 17.691 . . 1 . . 122 . B 14 ILE CG2 . 31047 1 168 . 1 . 1 14 14 ILE CD1 C 13 13.584 . . 1 . . 124 . B 14 ILE CD1 . 31047 1 stop_ save_