################################### # 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 36413 _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 $chemical_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 COSY' 1 $non-labeled_sample isotropic 36413 1 2 '2D 1H-1H TOCSY' 1 $non-labeled_sample isotropic 36413 1 3 '2D 1H-1H NOESY' 1 $non-labeled_sample isotropic 36413 1 4 '2D 1H-15N HSQC' 1 $non-labeled_sample isotropic 36413 1 5 '2D 1H-13C HSQC' 1 $non-labeled_sample isotropic 36413 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 2 2 ASP H H 1 8.424 0.00 . 1 . . . . A 2 ASP H . 36413 1 2 . 1 . 1 2 2 ASP HA H 1 4.651 0.00 . 1 . . . . A 2 ASP HA . 36413 1 3 . 1 . 1 2 2 ASP HB2 H 1 3.097 0.00 . 2 . . . . A 2 ASP HB2 . 36413 1 4 . 1 . 1 2 2 ASP HB3 H 1 2.917 0.00 . 2 . . . . A 2 ASP HB3 . 36413 1 5 . 1 . 1 2 2 ASP CA C 13 53.152 0.00 . 1 . . . . A 2 ASP CA . 36413 1 6 . 1 . 1 2 2 ASP CB C 13 39.089 0.00 . 1 . . . . A 2 ASP CB . 36413 1 7 . 1 . 1 2 2 ASP N N 15 119.243 0.00 . 1 . . . . A 2 ASP N . 36413 1 8 . 1 . 1 3 3 CYS H H 1 8.627 0.00 . 1 . . . . A 3 CYS H . 36413 1 9 . 1 . 1 3 3 CYS HA H 1 4.656 0.00 . 1 . . . . A 3 CYS HA . 36413 1 10 . 1 . 1 3 3 CYS HB2 H 1 2.975 0.00 . 2 . . . . A 3 CYS HB2 . 36413 1 11 . 1 . 1 3 3 CYS CB C 13 36.876 0.02 . 1 . . . . A 3 CYS CB . 36413 1 12 . 1 . 1 3 3 CYS N N 15 120.979 0.00 . 1 . . . . A 3 CYS N . 36413 1 13 . 1 . 1 4 4 LYS H H 1 8.399 0.00 . 1 . . . . A 4 LYS H . 36413 1 14 . 1 . 1 4 4 LYS HA H 1 4.587 0.00 . 1 . . . . A 4 LYS HA . 36413 1 15 . 1 . 1 4 4 LYS HB2 H 1 1.746 0.00 . 2 . . . . A 4 LYS HB2 . 36413 1 16 . 1 . 1 4 4 LYS HB3 H 1 1.619 0.00 . 2 . . . . A 4 LYS HB3 . 36413 1 17 . 1 . 1 4 4 LYS HG2 H 1 1.424 0.00 . 2 . . . . A 4 LYS HG2 . 36413 1 18 . 1 . 1 4 4 LYS HG3 H 1 1.370 0.00 . 2 . . . . A 4 LYS HG3 . 36413 1 19 . 1 . 1 4 4 LYS HD2 H 1 1.608 0.00 . 2 . . . . A 4 LYS HD2 . 36413 1 20 . 1 . 1 4 4 LYS HE2 H 1 2.926 0.00 . 2 . . . . A 4 LYS HE2 . 36413 1 21 . 1 . 1 4 4 LYS HZ1 H 1 7.457 0.00 . 1 . . . . A 4 LYS HZ1 . 36413 1 22 . 1 . 1 4 4 LYS HZ2 H 1 7.457 0.00 . 1 . . . . A 4 LYS HZ2 . 36413 1 23 . 1 . 1 4 4 LYS HZ3 H 1 7.457 0.00 . 1 . . . . A 4 LYS HZ3 . 36413 1 24 . 1 . 1 4 4 LYS CA C 13 51.231 0.00 . 1 . . . . A 4 LYS CA . 36413 1 25 . 1 . 1 4 4 LYS CB C 13 29.949 0.01 . 1 . . . . A 4 LYS CB . 36413 1 26 . 1 . 1 4 4 LYS CG C 13 22.020 0.00 . 1 . . . . A 4 LYS CG . 36413 1 27 . 1 . 1 4 4 LYS CD C 13 26.406 0.00 . 1 . . . . A 4 LYS CD . 36413 1 28 . 1 . 1 4 4 LYS CE C 13 39.483 0.00 . 1 . . . . A 4 LYS CE . 36413 1 29 . 1 . 1 4 4 LYS N N 15 125.131 0.00 . 1 . . . . A 4 LYS N . 36413 1 30 . 1 . 1 5 5 PRO HA H 1 4.214 0.00 . 1 . . . . A 5 PRO HA . 36413 1 31 . 1 . 1 5 5 PRO HB2 H 1 2.160 0.00 . 2 . . . . A 5 PRO HB2 . 36413 1 32 . 1 . 1 5 5 PRO HB3 H 1 1.723 0.00 . 2 . . . . A 5 PRO HB3 . 36413 1 33 . 1 . 1 5 5 PRO HG2 H 1 1.944 0.00 . 2 . . . . A 5 PRO HG2 . 36413 1 34 . 1 . 1 5 5 PRO HG3 H 1 1.891 0.00 . 2 . . . . A 5 PRO HG3 . 36413 1 35 . 1 . 1 5 5 PRO HD2 H 1 3.782 0.00 . 2 . . . . A 5 PRO HD2 . 36413 1 36 . 1 . 1 5 5 PRO HD3 H 1 3.558 0.00 . 2 . . . . A 5 PRO HD3 . 36413 1 37 . 1 . 1 5 5 PRO CA C 13 60.319 0.00 . 1 . . . . A 5 PRO CA . 36413 1 38 . 1 . 1 5 5 PRO CB C 13 29.577 0.00 . 1 . . . . A 5 PRO CB . 36413 1 39 . 1 . 1 5 5 PRO CG C 13 24.796 0.00 . 1 . . . . A 5 PRO CG . 36413 1 40 . 1 . 1 5 5 PRO CD C 13 48.044 0.01 . 1 . . . . A 5 PRO CD . 36413 1 41 . 1 . 1 6 6 CYS H H 1 8.626 0.00 . 1 . . . . A 6 CYS H . 36413 1 42 . 1 . 1 6 6 CYS HA H 1 4.669 0.00 . 1 . . . . A 6 CYS HA . 36413 1 43 . 1 . 1 6 6 CYS HB2 H 1 2.741 0.00 . 2 . . . . A 6 CYS HB2 . 36413 1 44 . 1 . 1 6 6 CYS HB3 H 1 2.646 0.00 . 2 . . . . A 6 CYS HB3 . 36413 1 45 . 1 . 1 6 6 CYS CB C 13 37.284 0.00 . 1 . . . . A 6 CYS CB . 36413 1 46 . 1 . 1 6 6 CYS N N 15 119.474 0.00 . 1 . . . . A 6 CYS N . 36413 1 47 . 1 . 1 7 7 MET H H 1 8.856 0.00 . 1 . . . . A 7 MET H . 36413 1 48 . 1 . 1 7 7 MET HA H 1 4.552 0.00 . 1 . . . . A 7 MET HA . 36413 1 49 . 1 . 1 7 7 MET HB2 H 1 2.014 0.00 . 2 . . . . A 7 MET HB2 . 36413 1 50 . 1 . 1 7 7 MET HB3 H 1 1.601 0.00 . 2 . . . . A 7 MET HB3 . 36413 1 51 . 1 . 1 7 7 MET HG2 H 1 2.426 0.00 . 2 . . . . A 7 MET HG2 . 36413 1 52 . 1 . 1 7 7 MET HG3 H 1 2.275 0.00 . 2 . . . . A 7 MET HG3 . 36413 1 53 . 1 . 1 7 7 MET HE1 H 1 1.958 0.00 . 1 . . . . A 7 MET HE1 . 36413 1 54 . 1 . 1 7 7 MET HE2 H 1 1.958 0.00 . 1 . . . . A 7 MET HE2 . 36413 1 55 . 1 . 1 7 7 MET HE3 H 1 1.958 0.00 . 1 . . . . A 7 MET HE3 . 36413 1 56 . 1 . 1 7 7 MET CA C 13 51.920 0.00 . 1 . . . . A 7 MET CA . 36413 1 57 . 1 . 1 7 7 MET CB C 13 29.745 0.01 . 1 . . . . A 7 MET CB . 36413 1 58 . 1 . 1 7 7 MET CG C 13 29.208 0.01 . 1 . . . . A 7 MET CG . 36413 1 59 . 1 . 1 7 7 MET CE C 13 14.014 0.00 . 1 . . . . A 7 MET CE . 36413 1 60 . 1 . 1 7 7 MET N N 15 125.115 0.00 . 1 . . . . A 7 MET N . 36413 1 61 . 1 . 1 8 8 HIS H H 1 7.385 0.00 . 1 . . . . A 8 HIS H . 36413 1 62 . 1 . 1 8 8 HIS HA H 1 5.088 0.00 . 1 . . . . A 8 HIS HA . 36413 1 63 . 1 . 1 8 8 HIS HB2 H 1 3.370 0.00 . 2 . . . . A 8 HIS HB2 . 36413 1 64 . 1 . 1 8 8 HIS HB3 H 1 3.037 0.00 . 2 . . . . A 8 HIS HB3 . 36413 1 65 . 1 . 1 8 8 HIS CA C 13 50.529 0.00 . 1 . . . . A 8 HIS CA . 36413 1 66 . 1 . 1 8 8 HIS CB C 13 27.248 0.02 . 1 . . . . A 8 HIS CB . 36413 1 67 . 1 . 1 8 8 HIS N N 15 116.527 0.00 . 1 . . . . A 8 HIS N . 36413 1 68 . 1 . 1 9 9 PRO HA H 1 4.219 0.00 . 1 . . . . A 9 PRO HA . 36413 1 69 . 1 . 1 9 9 PRO HB2 H 1 2.332 0.00 . 2 . . . . A 9 PRO HB2 . 36413 1 70 . 1 . 1 9 9 PRO HB3 H 1 1.877 0.00 . 2 . . . . A 9 PRO HB3 . 36413 1 71 . 1 . 1 9 9 PRO HG2 H 1 2.088 0.00 . 2 . . . . A 9 PRO HG2 . 36413 1 72 . 1 . 1 9 9 PRO HG3 H 1 1.961 0.00 . 2 . . . . A 9 PRO HG3 . 36413 1 73 . 1 . 1 9 9 PRO HD2 H 1 3.881 0.00 . 2 . . . . A 9 PRO HD2 . 36413 1 74 . 1 . 1 9 9 PRO HD3 H 1 3.752 0.00 . 2 . . . . A 9 PRO HD3 . 36413 1 75 . 1 . 1 9 9 PRO CA C 13 62.468 0.00 . 1 . . . . A 9 PRO CA . 36413 1 76 . 1 . 1 9 9 PRO CB C 13 29.341 0.00 . 1 . . . . A 9 PRO CB . 36413 1 77 . 1 . 1 9 9 PRO CG C 13 25.060 0.00 . 1 . . . . A 9 PRO CG . 36413 1 78 . 1 . 1 9 9 PRO CD C 13 48.144 0.02 . 1 . . . . A 9 PRO CD . 36413 1 79 . 1 . 1 10 10 ASP H H 1 8.433 0.00 . 1 . . . . A 10 ASP H . 36413 1 80 . 1 . 1 10 10 ASP HA H 1 4.406 0.00 . 1 . . . . A 10 ASP HA . 36413 1 81 . 1 . 1 10 10 ASP HB2 H 1 2.815 0.00 . 2 . . . . A 10 ASP HB2 . 36413 1 82 . 1 . 1 10 10 ASP CA C 13 51.919 0.00 . 1 . . . . A 10 ASP CA . 36413 1 83 . 1 . 1 10 10 ASP CB C 13 35.690 0.00 . 1 . . . . A 10 ASP CB . 36413 1 84 . 1 . 1 10 10 ASP N N 15 114.257 0.00 . 1 . . . . A 10 ASP N . 36413 1 85 . 1 . 1 11 11 CYS H H 1 7.843 0.00 . 1 . . . . A 11 CYS H . 36413 1 86 . 1 . 1 11 11 CYS HA H 1 4.665 0.00 . 1 . . . . A 11 CYS HA . 36413 1 87 . 1 . 1 11 11 CYS HB2 H 1 3.382 0.00 . 2 . . . . A 11 CYS HB2 . 36413 1 88 . 1 . 1 11 11 CYS HB3 H 1 2.994 0.00 . 2 . . . . A 11 CYS HB3 . 36413 1 89 . 1 . 1 11 11 CYS CB C 13 37.713 0.03 . 1 . . . . A 11 CYS CB . 36413 1 90 . 1 . 1 11 11 CYS N N 15 116.228 0.00 . 1 . . . . A 11 CYS N . 36413 1 91 . 1 . 1 12 12 ARG H H 1 7.871 0.00 . 1 . . . . A 12 ARG H . 36413 1 92 . 1 . 1 12 12 ARG HA H 1 3.959 0.00 . 1 . . . . A 12 ARG HA . 36413 1 93 . 1 . 1 12 12 ARG HB2 H 1 1.593 0.00 . 2 . . . . A 12 ARG HB2 . 36413 1 94 . 1 . 1 12 12 ARG HB3 H 1 1.503 0.00 . 2 . . . . A 12 ARG HB3 . 36413 1 95 . 1 . 1 12 12 ARG HG2 H 1 1.261 0.00 . 2 . . . . A 12 ARG HG2 . 36413 1 96 . 1 . 1 12 12 ARG HD2 H 1 2.980 0.00 . 2 . . . . A 12 ARG HD2 . 36413 1 97 . 1 . 1 12 12 ARG HE H 1 7.022 0.00 . 1 . . . . A 12 ARG HE . 36413 1 98 . 1 . 1 12 12 ARG CA C 13 55.055 0.00 . 1 . . . . A 12 ARG CA . 36413 1 99 . 1 . 1 12 12 ARG CB C 13 27.650 0.02 . 1 . . . . A 12 ARG CB . 36413 1 100 . 1 . 1 12 12 ARG CG C 13 24.030 0.00 . 1 . . . . A 12 ARG CG . 36413 1 101 . 1 . 1 12 12 ARG CD C 13 40.593 0.00 . 1 . . . . A 12 ARG CD . 36413 1 102 . 1 . 1 12 12 ARG N N 15 121.561 0.00 . 1 . . . . A 12 ARG N . 36413 1 103 . 1 . 1 13 13 PHE H H 1 8.114 0.00 . 1 . . . . A 13 PHE H . 36413 1 104 . 1 . 1 13 13 PHE HA H 1 4.601 0.00 . 1 . . . . A 13 PHE HA . 36413 1 105 . 1 . 1 13 13 PHE HB2 H 1 3.169 0.00 . 2 . . . . A 13 PHE HB2 . 36413 1 106 . 1 . 1 13 13 PHE HB3 H 1 2.896 0.00 . 2 . . . . A 13 PHE HB3 . 36413 1 107 . 1 . 1 13 13 PHE HD1 H 1 7.174 0.00 . 3 . . . . A 13 PHE HD1 . 36413 1 108 . 1 . 1 13 13 PHE HE1 H 1 7.271 0.00 . 3 . . . . A 13 PHE HE1 . 36413 1 109 . 1 . 1 13 13 PHE HZ H 1 7.222 0.00 . 1 . . . . A 13 PHE HZ . 36413 1 110 . 1 . 1 13 13 PHE CA C 13 54.507 0.00 . 1 . . . . A 13 PHE CA . 36413 1 111 . 1 . 1 13 13 PHE CB C 13 36.406 0.00 . 1 . . . . A 13 PHE CB . 36413 1 112 . 1 . 1 13 13 PHE N N 15 118.664 0.00 . 1 . . . . A 13 PHE N . 36413 1 113 . 1 . 1 14 14 ASN H H 1 7.842 0.00 . 1 . . . . A 14 ASN H . 36413 1 114 . 1 . 1 14 14 ASN HA H 1 4.870 0.00 . 1 . . . . A 14 ASN HA . 36413 1 115 . 1 . 1 14 14 ASN HB2 H 1 2.784 0.00 . 2 . . . . A 14 ASN HB2 . 36413 1 116 . 1 . 1 14 14 ASN HB3 H 1 2.644 0.00 . 2 . . . . A 14 ASN HB3 . 36413 1 117 . 1 . 1 14 14 ASN HD21 H 1 7.588 0.00 . 2 . . . . A 14 ASN HD21 . 36413 1 118 . 1 . 1 14 14 ASN HD22 H 1 6.938 0.00 . 2 . . . . A 14 ASN HD22 . 36413 1 119 . 1 . 1 14 14 ASN CA C 13 48.446 0.00 . 1 . . . . A 14 ASN CA . 36413 1 120 . 1 . 1 14 14 ASN CB C 13 36.201 0.00 . 1 . . . . A 14 ASN CB . 36413 1 121 . 1 . 1 14 14 ASN N N 15 121.332 0.00 . 1 . . . . A 14 ASN N . 36413 1 122 . 1 . 1 14 14 ASN ND2 N 15 112.448 0.00 . 1 . . . . A 14 ASN ND2 . 36413 1 123 . 1 . 1 15 15 PRO HA H 1 4.317 0.00 . 1 . . . . A 15 PRO HA . 36413 1 124 . 1 . 1 15 15 PRO HB2 H 1 2.249 0.00 . 2 . . . . A 15 PRO HB2 . 36413 1 125 . 1 . 1 15 15 PRO HB3 H 1 1.924 0.00 . 2 . . . . A 15 PRO HB3 . 36413 1 126 . 1 . 1 15 15 PRO HG2 H 1 1.962 0.00 . 2 . . . . A 15 PRO HG2 . 36413 1 127 . 1 . 1 15 15 PRO HG3 H 1 1.962 0.00 . 2 . . . . A 15 PRO HG3 . 36413 1 128 . 1 . 1 15 15 PRO HD2 H 1 3.660 0.00 . 2 . . . . A 15 PRO HD2 . 36413 1 129 . 1 . 1 15 15 PRO HD3 H 1 3.660 0.00 . 2 . . . . A 15 PRO HD3 . 36413 1 130 . 1 . 1 15 15 PRO CA C 13 61.321 0.00 . 1 . . . . A 15 PRO CA . 36413 1 131 . 1 . 1 15 15 PRO CB C 13 29.292 0.00 . 1 . . . . A 15 PRO CB . 36413 1 132 . 1 . 1 15 15 PRO CG C 13 24.562 0.00 . 1 . . . . A 15 PRO CG . 36413 1 133 . 1 . 1 15 15 PRO CD C 13 48.083 0.00 . 1 . . . . A 15 PRO CD . 36413 1 134 . 1 . 1 16 16 GLY H H 1 8.371 0.00 . 1 . . . . A 16 GLY H . 36413 1 135 . 1 . 1 16 16 GLY HA2 H 1 3.887 0.00 . 2 . . . . A 16 GLY HA2 . 36413 1 136 . 1 . 1 16 16 GLY HA3 H 1 3.836 0.00 . 2 . . . . A 16 GLY HA3 . 36413 1 137 . 1 . 1 16 16 GLY CA C 13 42.851 0.02 . 1 . . . . A 16 GLY CA . 36413 1 138 . 1 . 1 16 16 GLY N N 15 108.265 0.00 . 1 . . . . A 16 GLY N . 36413 1 139 . 1 . 1 17 17 ARG H H 1 7.815 0.00 . 1 . . . . A 17 ARG H . 36413 1 140 . 1 . 1 17 17 ARG HA H 1 4.394 0.00 . 1 . . . . A 17 ARG HA . 36413 1 141 . 1 . 1 17 17 ARG HB2 H 1 1.806 0.00 . 2 . . . . A 17 ARG HB2 . 36413 1 142 . 1 . 1 17 17 ARG HB3 H 1 1.772 0.00 . 2 . . . . A 17 ARG HB3 . 36413 1 143 . 1 . 1 17 17 ARG HG2 H 1 1.553 0.00 . 2 . . . . A 17 ARG HG2 . 36413 1 144 . 1 . 1 17 17 ARG HG3 H 1 1.553 0.00 . 2 . . . . A 17 ARG HG3 . 36413 1 145 . 1 . 1 17 17 ARG HD2 H 1 3.129 0.00 . 2 . . . . A 17 ARG HD2 . 36413 1 146 . 1 . 1 17 17 ARG HD3 H 1 3.091 0.00 . 2 . . . . A 17 ARG HD3 . 36413 1 147 . 1 . 1 17 17 ARG HE H 1 7.118 0.00 . 1 . . . . A 17 ARG HE . 36413 1 148 . 1 . 1 17 17 ARG CA C 13 53.273 0.00 . 1 . . . . A 17 ARG CA . 36413 1 149 . 1 . 1 17 17 ARG CB C 13 27.765 0.01 . 1 . . . . A 17 ARG CB . 36413 1 150 . 1 . 1 17 17 ARG CG C 13 24.445 0.00 . 1 . . . . A 17 ARG CG . 36413 1 151 . 1 . 1 17 17 ARG CD C 13 40.583 0.00 . 1 . . . . A 17 ARG CD . 36413 1 152 . 1 . 1 17 17 ARG N N 15 119.624 0.00 . 1 . . . . A 17 ARG N . 36413 1 153 . 1 . 1 18 18 CYS H H 1 8.127 0.00 . 1 . . . . A 18 CYS H . 36413 1 154 . 1 . 1 18 18 CYS HA H 1 4.610 0.00 . 1 . . . . A 18 CYS HA . 36413 1 155 . 1 . 1 18 18 CYS HB2 H 1 3.167 0.00 . 2 . . . . A 18 CYS HB2 . 36413 1 156 . 1 . 1 18 18 CYS HB3 H 1 2.884 0.01 . 2 . . . . A 18 CYS HB3 . 36413 1 157 . 1 . 1 18 18 CYS CA C 13 52.638 0.00 . 1 . . . . A 18 CYS CA . 36413 1 158 . 1 . 1 18 18 CYS CB C 13 38.550 0.01 . 1 . . . . A 18 CYS CB . 36413 1 159 . 1 . 1 18 18 CYS N N 15 119.225 0.00 . 1 . . . . A 18 CYS N . 36413 1 160 . 1 . 1 19 19 ARG H H 1 8.354 0.00 . 1 . . . . A 19 ARG H . 36413 1 161 . 1 . 1 19 19 ARG HA H 1 4.230 0.00 . 1 . . . . A 19 ARG HA . 36413 1 162 . 1 . 1 19 19 ARG HB2 H 1 1.801 0.00 . 2 . . . . A 19 ARG HB2 . 36413 1 163 . 1 . 1 19 19 ARG HB3 H 1 1.702 0.00 . 2 . . . . A 19 ARG HB3 . 36413 1 164 . 1 . 1 19 19 ARG HG2 H 1 1.590 0.00 . 2 . . . . A 19 ARG HG2 . 36413 1 165 . 1 . 1 19 19 ARG HG3 H 1 1.547 0.00 . 2 . . . . A 19 ARG HG3 . 36413 1 166 . 1 . 1 19 19 ARG HD2 H 1 3.119 0.00 . 2 . . . . A 19 ARG HD2 . 36413 1 167 . 1 . 1 19 19 ARG HD3 H 1 3.119 0.00 . 2 . . . . A 19 ARG HD3 . 36413 1 168 . 1 . 1 19 19 ARG HE H 1 7.112 0.00 . 1 . . . . A 19 ARG HE . 36413 1 169 . 1 . 1 19 19 ARG CA C 13 53.423 0.00 . 1 . . . . A 19 ARG CA . 36413 1 170 . 1 . 1 19 19 ARG CB C 13 28.237 0.00 . 1 . . . . A 19 ARG CB . 36413 1 171 . 1 . 1 19 19 ARG CG C 13 24.530 0.00 . 1 . . . . A 19 ARG CG . 36413 1 172 . 1 . 1 19 19 ARG CD C 13 40.620 0.00 . 1 . . . . A 19 ARG CD . 36413 1 173 . 1 . 1 19 19 ARG N N 15 123.297 0.00 . 1 . . . . A 19 ARG N . 36413 1 stop_ save_