################################### # 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 30666 _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' . . . 30666 1 2 '2D 1H-1H NOESY' . . . 30666 1 3 '2D 1H-15N HSQC' . . . 30666 1 4 '2D 1H-13C HSQC' . . . 30666 1 5 '2D 1H-1H E.COSY' . . . 30666 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 GLY H H 1 8.506 0.001 . . . . . . A 1 GLY H1 . 30666 1 2 . 1 . 1 1 1 GLY HA2 H 1 3.793 0.002 . . . . . . A 1 GLY HA2 . 30666 1 3 . 1 . 1 1 1 GLY HA3 H 1 4.359 0.005 . . . . . . A 1 GLY HA3 . 30666 1 4 . 1 . 1 1 1 GLY CA C 13 42.527 0.008 . . . . . . A 1 GLY CA . 30666 1 5 . 1 . 1 1 1 GLY N N 15 108.490 0.000 . . . . . . A 1 GLY N . 30666 1 6 . 1 . 1 2 2 ARG H H 1 7.686 0.002 . . . . . . A 2 ARG H . 30666 1 7 . 1 . 1 2 2 ARG HA H 1 4.487 0.004 . . . . . . A 2 ARG HA . 30666 1 8 . 1 . 1 2 2 ARG HB2 H 1 1.970 0.012 . . . . . . A 2 ARG HB2 . 30666 1 9 . 1 . 1 2 2 ARG HB3 H 1 1.919 0.008 . . . . . . A 2 ARG HB3 . 30666 1 10 . 1 . 1 2 2 ARG HG2 H 1 1.612 0.005 . . . . . . A 2 ARG HG2 . 30666 1 11 . 1 . 1 2 2 ARG HG3 H 1 1.611 0.006 . . . . . . A 2 ARG HG3 . 30666 1 12 . 1 . 1 2 2 ARG HD2 H 1 3.199 0.001 . . . . . . A 2 ARG HD2 . 30666 1 13 . 1 . 1 2 2 ARG HD3 H 1 3.199 0.001 . . . . . . A 2 ARG HD3 . 30666 1 14 . 1 . 1 2 2 ARG HE H 1 7.359 0.002 . . . . . . A 2 ARG HE . 30666 1 15 . 1 . 1 2 2 ARG CA C 13 53.243 0.000 . . . . . . A 2 ARG CA . 30666 1 16 . 1 . 1 2 2 ARG CB C 13 28.348 0.000 . . . . . . A 2 ARG CB . 30666 1 17 . 1 . 1 2 2 ARG CG C 13 24.983 0.000 . . . . . . A 2 ARG CG . 30666 1 18 . 1 . 1 2 2 ARG CD C 13 40.490 0.000 . . . . . . A 2 ARG CD . 30666 1 19 . 1 . 1 2 2 ARG N N 15 120.588 0.000 . . . . . . A 2 ARG N . 30666 1 20 . 1 . 1 2 2 ARG NE N 15 125.047 0.000 . . . . . . A 2 ARG NE . 30666 1 21 . 1 . 1 3 3 CYS H H 1 8.558 0.002 . . . . . . A 3 CYS H . 30666 1 22 . 1 . 1 3 3 CYS HA H 1 5.827 0.005 . . . . . . A 3 CYS HA . 30666 1 23 . 1 . 1 3 3 CYS HB2 H 1 3.136 0.007 . . . . . . A 3 CYS HB2 . 30666 1 24 . 1 . 1 3 3 CYS HB3 H 1 2.907 0.004 . . . . . . A 3 CYS HB3 . 30666 1 25 . 1 . 1 3 3 CYS CA C 13 52.966 0.000 . . . . . . A 3 CYS CA . 30666 1 26 . 1 . 1 3 3 CYS CB C 13 46.611 0.001 . . . . . . A 3 CYS CB . 30666 1 27 . 1 . 1 3 3 CYS N N 15 119.134 0.000 . . . . . . A 3 CYS N . 30666 1 28 . 1 . 1 4 4 THR H H 1 9.193 0.002 . . . . . . A 4 THR H . 30666 1 29 . 1 . 1 4 4 THR HA H 1 4.527 0.003 . . . . . . A 4 THR HA . 30666 1 30 . 1 . 1 4 4 THR HB H 1 4.604 0.004 . . . . . . A 4 THR HB . 30666 1 31 . 1 . 1 4 4 THR HG21 H 1 1.507 0.003 . . . . . . A 4 THR HG21 . 30666 1 32 . 1 . 1 4 4 THR HG22 H 1 1.507 0.003 . . . . . . A 4 THR HG22 . 30666 1 33 . 1 . 1 4 4 THR HG23 H 1 1.507 0.003 . . . . . . A 4 THR HG23 . 30666 1 34 . 1 . 1 4 4 THR CA C 13 58.455 0.000 . . . . . . A 4 THR CA . 30666 1 35 . 1 . 1 4 4 THR CB C 13 67.898 0.000 . . . . . . A 4 THR CB . 30666 1 36 . 1 . 1 4 4 THR CG2 C 13 19.539 0.000 . . . . . . A 4 THR CG2 . 30666 1 37 . 1 . 1 4 4 THR N N 15 114.345 0.000 . . . . . . A 4 THR N . 30666 1 38 . 1 . 1 5 5 LYS H H 1 8.584 0.003 . . . . . . A 5 LYS H . 30666 1 39 . 1 . 1 5 5 LYS HA H 1 4.539 0.005 . . . . . . A 5 LYS HA . 30666 1 40 . 1 . 1 5 5 LYS HB2 H 1 2.069 0.001 . . . . . . A 5 LYS HB2 . 30666 1 41 . 1 . 1 5 5 LYS HB3 H 1 1.716 0.002 . . . . . . A 5 LYS HB3 . 30666 1 42 . 1 . 1 5 5 LYS HG2 H 1 1.539 0.001 . . . . . . A 5 LYS HG2 . 30666 1 43 . 1 . 1 5 5 LYS HG3 H 1 1.448 0.002 . . . . . . A 5 LYS HG3 . 30666 1 44 . 1 . 1 5 5 LYS HD2 H 1 1.715 0.003 . . . . . . A 5 LYS HD2 . 30666 1 45 . 1 . 1 5 5 LYS HD3 H 1 1.716 0.003 . . . . . . A 5 LYS HD3 . 30666 1 46 . 1 . 1 5 5 LYS HE2 H 1 3.044 0.003 . . . . . . A 5 LYS HE2 . 30666 1 47 . 1 . 1 5 5 LYS HE3 H 1 3.043 0.003 . . . . . . A 5 LYS HE3 . 30666 1 48 . 1 . 1 5 5 LYS HZ1 H 1 7.536 0.002 . . . . . . A 5 LYS HZ1 . 30666 1 49 . 1 . 1 5 5 LYS HZ2 H 1 7.536 0.002 . . . . . . A 5 LYS HZ2 . 30666 1 50 . 1 . 1 5 5 LYS HZ3 H 1 7.536 0.002 . . . . . . A 5 LYS HZ3 . 30666 1 51 . 1 . 1 5 5 LYS CA C 13 52.559 0.000 . . . . . . A 5 LYS CA . 30666 1 52 . 1 . 1 5 5 LYS CB C 13 28.344 0.014 . . . . . . A 5 LYS CB . 30666 1 53 . 1 . 1 5 5 LYS CG C 13 22.227 0.003 . . . . . . A 5 LYS CG . 30666 1 54 . 1 . 1 5 5 LYS CD C 13 26.140 0.000 . . . . . . A 5 LYS CD . 30666 1 55 . 1 . 1 5 5 LYS CE C 13 39.273 0.000 . . . . . . A 5 LYS CE . 30666 1 56 . 1 . 1 5 5 LYS N N 15 120.227 0.000 . . . . . . A 5 LYS N . 30666 1 57 . 1 . 1 5 5 LYS NZ N 15 112.598 0.000 . . . . . . A 5 LYS NZ . 30666 1 58 . 1 . 1 6 6 SER H H 1 7.368 0.001 . . . . . . A 6 SER H . 30666 1 59 . 1 . 1 6 6 SER HA H 1 4.411 0.003 . . . . . . A 6 SER HA . 30666 1 60 . 1 . 1 6 6 SER HB2 H 1 3.934 0.009 . . . . . . A 6 SER HB2 . 30666 1 61 . 1 . 1 6 6 SER HB3 H 1 3.817 0.005 . . . . . . A 6 SER HB3 . 30666 1 62 . 1 . 1 6 6 SER CA C 13 54.736 0.000 . . . . . . A 6 SER CA . 30666 1 63 . 1 . 1 6 6 SER CB C 13 62.445 0.003 . . . . . . A 6 SER CB . 30666 1 64 . 1 . 1 6 6 SER N N 15 114.305 0.000 . . . . . . A 6 SER N . 30666 1 65 . 1 . 1 7 7 ILE H H 1 8.258 0.004 . . . . . . A 7 ILE H . 30666 1 66 . 1 . 1 7 7 ILE HA H 1 4.313 0.007 . . . . . . A 7 ILE HA . 30666 1 67 . 1 . 1 7 7 ILE HB H 1 1.820 0.007 . . . . . . A 7 ILE HB . 30666 1 68 . 1 . 1 7 7 ILE HG12 H 1 1.092 0.008 . . . . . . A 7 ILE HG12 . 30666 1 69 . 1 . 1 7 7 ILE HG13 H 1 1.488 0.008 . . . . . . A 7 ILE HG13 . 30666 1 70 . 1 . 1 7 7 ILE HG21 H 1 0.864 0.001 . . . . . . A 7 ILE HG21 . 30666 1 71 . 1 . 1 7 7 ILE HG22 H 1 0.864 0.001 . . . . . . A 7 ILE HG22 . 30666 1 72 . 1 . 1 7 7 ILE HG23 H 1 0.864 0.001 . . . . . . A 7 ILE HG23 . 30666 1 73 . 1 . 1 7 7 ILE HD11 H 1 0.865 0.001 . . . . . . A 7 ILE HD11 . 30666 1 74 . 1 . 1 7 7 ILE HD12 H 1 0.865 0.001 . . . . . . A 7 ILE HD12 . 30666 1 75 . 1 . 1 7 7 ILE HD13 H 1 0.865 0.001 . . . . . . A 7 ILE HD13 . 30666 1 76 . 1 . 1 7 7 ILE CA C 13 55.136 0.000 . . . . . . A 7 ILE CA . 30666 1 77 . 1 . 1 7 7 ILE CB C 13 36.761 0.000 . . . . . . A 7 ILE CB . 30666 1 78 . 1 . 1 7 7 ILE CG1 C 13 24.312 0.012 . . . . . . A 7 ILE CG1 . 30666 1 79 . 1 . 1 7 7 ILE CG2 C 13 14.249 0.000 . . . . . . A 7 ILE CG2 . 30666 1 80 . 1 . 1 7 7 ILE CD1 C 13 9.979 0.000 . . . . . . A 7 ILE CD1 . 30666 1 81 . 1 . 1 7 7 ILE N N 15 119.295 0.000 . . . . . . A 7 ILE N . 30666 1 82 . 1 . 1 8 8 PRO HA H 1 5.117 0.004 . . . . . . A 8 PRO HA . 30666 1 83 . 1 . 1 8 8 PRO HB2 H 1 2.468 0.002 . . . . . . A 8 PRO HB2 . 30666 1 84 . 1 . 1 8 8 PRO HB3 H 1 2.044 0.002 . . . . . . A 8 PRO HB3 . 30666 1 85 . 1 . 1 8 8 PRO HG2 H 1 1.980 0.005 . . . . . . A 8 PRO HG2 . 30666 1 86 . 1 . 1 8 8 PRO HG3 H 1 1.861 0.003 . . . . . . A 8 PRO HG3 . 30666 1 87 . 1 . 1 8 8 PRO HD2 H 1 3.579 0.006 . . . . . . A 8 PRO HD2 . 30666 1 88 . 1 . 1 8 8 PRO HD3 H 1 3.575 0.007 . . . . . . A 8 PRO HD3 . 30666 1 89 . 1 . 1 8 8 PRO CA C 13 59.565 0.000 . . . . . . A 8 PRO CA . 30666 1 90 . 1 . 1 8 8 PRO CB C 13 30.317 0.011 . . . . . . A 8 PRO CB . 30666 1 91 . 1 . 1 8 8 PRO CG C 13 22.045 0.002 . . . . . . A 8 PRO CG . 30666 1 92 . 1 . 1 8 8 PRO CD C 13 47.271 0.000 . . . . . . A 8 PRO CD . 30666 1 93 . 1 . 1 9 9 PRO HA H 1 4.215 0.001 . . . . . . A 9 PRO HA . 30666 1 94 . 1 . 1 9 9 PRO HB2 H 1 2.447 0.007 . . . . . . A 9 PRO HB2 . 30666 1 95 . 1 . 1 9 9 PRO HB3 H 1 1.845 0.003 . . . . . . A 9 PRO HB3 . 30666 1 96 . 1 . 1 9 9 PRO HG2 H 1 2.107 0.010 . . . . . . A 9 PRO HG2 . 30666 1 97 . 1 . 1 9 9 PRO HG3 H 1 2.102 0.011 . . . . . . A 9 PRO HG3 . 30666 1 98 . 1 . 1 9 9 PRO HD2 H 1 3.826 0.002 . . . . . . A 9 PRO HD2 . 30666 1 99 . 1 . 1 9 9 PRO HD3 H 1 3.703 0.002 . . . . . . A 9 PRO HD3 . 30666 1 100 . 1 . 1 9 9 PRO CA C 13 60.834 0.000 . . . . . . A 9 PRO CA . 30666 1 101 . 1 . 1 9 9 PRO CB C 13 29.904 0.006 . . . . . . A 9 PRO CB . 30666 1 102 . 1 . 1 9 9 PRO CG C 13 24.600 0.000 . . . . . . A 9 PRO CG . 30666 1 103 . 1 . 1 9 9 PRO CD C 13 48.018 0.001 . . . . . . A 9 PRO CD . 30666 1 104 . 1 . 1 10 10 ARG H H 1 7.741 0.001 . . . . . . A 10 ARG H . 30666 1 105 . 1 . 1 10 10 ARG HA H 1 4.503 0.004 . . . . . . A 10 ARG HA . 30666 1 106 . 1 . 1 10 10 ARG HB2 H 1 1.687 0.003 . . . . . . A 10 ARG HB2 . 30666 1 107 . 1 . 1 10 10 ARG HB3 H 1 1.687 0.003 . . . . . . A 10 ARG HB3 . 30666 1 108 . 1 . 1 10 10 ARG HG2 H 1 1.442 0.002 . . . . . . A 10 ARG HG2 . 30666 1 109 . 1 . 1 10 10 ARG HG3 H 1 1.329 0.003 . . . . . . A 10 ARG HG3 . 30666 1 110 . 1 . 1 10 10 ARG HD2 H 1 3.093 0.006 . . . . . . A 10 ARG HD2 . 30666 1 111 . 1 . 1 10 10 ARG HD3 H 1 3.093 0.006 . . . . . . A 10 ARG HD3 . 30666 1 112 . 1 . 1 10 10 ARG HE H 1 7.030 0.000 . . . . . . A 10 ARG HE . 30666 1 113 . 1 . 1 10 10 ARG CA C 13 52.280 0.000 . . . . . . A 10 ARG CA . 30666 1 114 . 1 . 1 10 10 ARG CB C 13 28.872 0.000 . . . . . . A 10 ARG CB . 30666 1 115 . 1 . 1 10 10 ARG CG C 13 24.242 0.015 . . . . . . A 10 ARG CG . 30666 1 116 . 1 . 1 10 10 ARG CD C 13 40.525 0.000 . . . . . . A 10 ARG CD . 30666 1 117 . 1 . 1 10 10 ARG N N 15 122.034 0.000 . . . . . . A 10 ARG N . 30666 1 118 . 1 . 1 10 10 ARG NE N 15 125.087 0.000 . . . . . . A 10 ARG NE . 30666 1 119 . 1 . 1 11 11 CYS H H 1 8.627 0.002 . . . . . . A 11 CYS H . 30666 1 120 . 1 . 1 11 11 CYS HA H 1 5.412 0.005 . . . . . . A 11 CYS HA . 30666 1 121 . 1 . 1 11 11 CYS HB2 H 1 2.946 0.004 . . . . . . A 11 CYS HB2 . 30666 1 122 . 1 . 1 11 11 CYS HB3 H 1 2.860 0.005 . . . . . . A 11 CYS HB3 . 30666 1 123 . 1 . 1 11 11 CYS CA C 13 52.789 0.000 . . . . . . A 11 CYS CA . 30666 1 124 . 1 . 1 11 11 CYS CB C 13 44.254 0.004 . . . . . . A 11 CYS CB . 30666 1 125 . 1 . 1 11 11 CYS N N 15 121.757 0.000 . . . . . . A 11 CYS N . 30666 1 126 . 1 . 1 12 12 PHE H H 1 8.813 0.003 . . . . . . A 12 PHE H . 30666 1 127 . 1 . 1 12 12 PHE HA H 1 4.934 0.006 . . . . . . A 12 PHE HA . 30666 1 128 . 1 . 1 12 12 PHE HB2 H 1 3.420 0.004 . . . . . . A 12 PHE HB2 . 30666 1 129 . 1 . 1 12 12 PHE HB3 H 1 3.022 0.007 . . . . . . A 12 PHE HB3 . 30666 1 130 . 1 . 1 12 12 PHE HD1 H 1 7.329 0.002 . . . . . . A 12 PHE HD1 . 30666 1 131 . 1 . 1 12 12 PHE HD2 H 1 7.329 0.002 . . . . . . A 12 PHE HD2 . 30666 1 132 . 1 . 1 12 12 PHE HE1 H 1 7.282 0.001 . . . . . . A 12 PHE HE1 . 30666 1 133 . 1 . 1 12 12 PHE HE2 H 1 7.282 0.001 . . . . . . A 12 PHE HE2 . 30666 1 134 . 1 . 1 12 12 PHE HZ H 1 7.229 0.000 . . . . . . A 12 PHE HZ . 30666 1 135 . 1 . 1 12 12 PHE CA C 13 54.089 0.000 . . . . . . A 12 PHE CA . 30666 1 136 . 1 . 1 12 12 PHE CB C 13 36.578 0.004 . . . . . . A 12 PHE CB . 30666 1 137 . 1 . 1 12 12 PHE N N 15 122.169 0.000 . . . . . . A 12 PHE N . 30666 1 138 . 1 . 1 13 13 PRO HA H 1 4.437 0.002 . . . . . . A 13 PRO HA . 30666 1 139 . 1 . 1 13 13 PRO HB2 H 1 2.485 0.005 . . . . . . A 13 PRO HB2 . 30666 1 140 . 1 . 1 13 13 PRO HB3 H 1 2.030 0.006 . . . . . . A 13 PRO HB3 . 30666 1 141 . 1 . 1 13 13 PRO HG2 H 1 2.235 0.004 . . . . . . A 13 PRO HG2 . 30666 1 142 . 1 . 1 13 13 PRO HG3 H 1 2.117 0.005 . . . . . . A 13 PRO HG3 . 30666 1 143 . 1 . 1 13 13 PRO HD2 H 1 4.082 0.005 . . . . . . A 13 PRO HD2 . 30666 1 144 . 1 . 1 13 13 PRO HD3 H 1 4.081 0.003 . . . . . . A 13 PRO HD3 . 30666 1 145 . 1 . 1 13 13 PRO CA C 13 62.688 0.000 . . . . . . A 13 PRO CA . 30666 1 146 . 1 . 1 13 13 PRO CB C 13 29.086 0.008 . . . . . . A 13 PRO CB . 30666 1 147 . 1 . 1 13 13 PRO CG C 13 25.046 0.010 . . . . . . A 13 PRO CG . 30666 1 148 . 1 . 1 13 13 PRO CD C 13 48.554 0.000 . . . . . . A 13 PRO CD . 30666 1 149 . 1 . 1 14 14 ASP H H 1 7.914 0.001 . . . . . . A 14 ASP H . 30666 1 150 . 1 . 1 14 14 ASP HA H 1 4.584 0.005 . . . . . . A 14 ASP HA . 30666 1 151 . 1 . 1 14 14 ASP HB2 H 1 3.247 0.013 . . . . . . A 14 ASP HB2 . 30666 1 152 . 1 . 1 14 14 ASP HB3 H 1 2.903 0.021 . . . . . . A 14 ASP HB3 . 30666 1 153 . 1 . 1 14 14 ASP CA C 13 50.275 0.000 . . . . . . A 14 ASP CA . 30666 1 154 . 1 . 1 14 14 ASP CB C 13 34.899 0.000 . . . . . . A 14 ASP CB . 30666 1 155 . 1 . 1 14 14 ASP N N 15 113.119 0.000 . . . . . . A 14 ASP N . 30666 1 stop_ save_