################################### # 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 34564 _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 NOESY' . . . 34564 1 2 '2D 1H-1H TOCSY' . . . 34564 1 3 '2D 1H-13C HSQC' . . . 34564 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 SER HA H 1 4.393 0.020 . 1 . . . . A 1 SER HA . 34564 1 2 . 1 . 1 1 1 SER HB2 H 1 4.016 0.020 . 2 . . . . A 1 SER HB2 . 34564 1 3 . 1 . 1 1 1 SER HB3 H 1 3.921 0.020 . 2 . . . . A 1 SER HB3 . 34564 1 4 . 1 . 1 1 1 SER CB C 13 61.707 0.400 . 1 . . . . A 1 SER CB . 34564 1 5 . 1 . 1 2 2 PRO HA H 1 4.470 0.020 . 1 . . . . A 2 PRO HA . 34564 1 6 . 1 . 1 2 2 PRO HB2 H 1 2.265 0.020 . 2 . . . . A 2 PRO HB2 . 34564 1 7 . 1 . 1 2 2 PRO HB3 H 1 1.844 0.020 . 2 . . . . A 2 PRO HB3 . 34564 1 8 . 1 . 1 2 2 PRO HG2 H 1 1.975 0.020 . 2 . . . . A 2 PRO HG2 . 34564 1 9 . 1 . 1 2 2 PRO HG3 H 1 1.975 0.020 . 2 . . . . A 2 PRO HG3 . 34564 1 10 . 1 . 1 2 2 PRO HD2 H 1 3.717 0.020 . 2 . . . . A 2 PRO HD2 . 34564 1 11 . 1 . 1 2 2 PRO HD3 H 1 3.619 0.020 . 2 . . . . A 2 PRO HD3 . 34564 1 12 . 1 . 1 2 2 PRO CB C 13 32.044 0.400 . 1 . . . . A 2 PRO CB . 34564 1 13 . 1 . 1 2 2 PRO CG C 13 27.326 0.400 . 1 . . . . A 2 PRO CG . 34564 1 14 . 1 . 1 2 2 PRO CD C 13 50.542 0.400 . 1 . . . . A 2 PRO CD . 34564 1 15 . 1 . 1 3 3 ARG H H 1 8.245 0.020 . 1 . . . . A 3 ARG H . 34564 1 16 . 1 . 1 3 3 ARG HA H 1 4.422 0.020 . 1 . . . . A 3 ARG HA . 34564 1 17 . 1 . 1 3 3 ARG HB2 H 1 1.695 0.020 . 2 . . . . A 3 ARG HB2 . 34564 1 18 . 1 . 1 3 3 ARG HB3 H 1 1.695 0.020 . 2 . . . . A 3 ARG HB3 . 34564 1 19 . 1 . 1 3 3 ARG HG2 H 1 1.576 0.020 . 2 . . . . A 3 ARG HG2 . 34564 1 20 . 1 . 1 3 3 ARG HG3 H 1 1.489 0.020 . 2 . . . . A 3 ARG HG3 . 34564 1 21 . 1 . 1 3 3 ARG HD2 H 1 3.091 0.020 . 2 . . . . A 3 ARG HD2 . 34564 1 22 . 1 . 1 3 3 ARG HD3 H 1 3.091 0.020 . 2 . . . . A 3 ARG HD3 . 34564 1 23 . 1 . 1 3 3 ARG HE H 1 7.181 0.020 . 1 . . . . A 3 ARG HE . 34564 1 24 . 1 . 1 3 3 ARG CB C 13 31.013 0.400 . 1 . . . . A 3 ARG CB . 34564 1 25 . 1 . 1 3 3 ARG CG C 13 27.119 0.400 . 1 . . . . A 3 ARG CG . 34564 1 26 . 1 . 1 3 3 ARG CD C 13 43.499 0.400 . 1 . . . . A 3 ARG CD . 34564 1 27 . 1 . 1 4 4 VAL H H 1 8.380 0.020 . 1 . . . . A 4 VAL H . 34564 1 28 . 1 . 1 4 4 VAL HA H 1 4.152 0.020 . 1 . . . . A 4 VAL HA . 34564 1 29 . 1 . 1 4 4 VAL HB H 1 1.517 0.020 . 1 . . . . A 4 VAL HB . 34564 1 30 . 1 . 1 4 4 VAL HG11 H 1 0.698 0.020 . 2 . . . . A 4 VAL HG11 . 34564 1 31 . 1 . 1 4 4 VAL HG12 H 1 0.698 0.020 . 2 . . . . A 4 VAL HG12 . 34564 1 32 . 1 . 1 4 4 VAL HG13 H 1 0.698 0.020 . 2 . . . . A 4 VAL HG13 . 34564 1 33 . 1 . 1 4 4 VAL HG21 H 1 0.765 0.020 . 2 . . . . A 4 VAL HG21 . 34564 1 34 . 1 . 1 4 4 VAL HG22 H 1 0.765 0.020 . 2 . . . . A 4 VAL HG22 . 34564 1 35 . 1 . 1 4 4 VAL HG23 H 1 0.765 0.020 . 2 . . . . A 4 VAL HG23 . 34564 1 36 . 1 . 1 4 4 VAL CA C 13 61.475 0.400 . 1 . . . . A 4 VAL CA . 34564 1 37 . 1 . 1 4 4 VAL CB C 13 33.966 0.400 . 1 . . . . A 4 VAL CB . 34564 1 38 . 1 . 1 4 4 VAL CG1 C 13 20.996 0.400 . 2 . . . . A 4 VAL CG1 . 34564 1 39 . 1 . 1 4 4 VAL CG2 C 13 20.523 0.400 . 2 . . . . A 4 VAL CG2 . 34564 1 40 . 1 . 1 5 5 CYS H H 1 8.276 0.020 . 1 . . . . A 5 CYS H . 34564 1 41 . 1 . 1 5 5 CYS HA H 1 5.603 0.020 . 1 . . . . A 5 CYS HA . 34564 1 42 . 1 . 1 5 5 CYS HB2 H 1 2.945 0.020 . 1 . . . . A 5 CYS HB2 . 34564 1 43 . 1 . 1 5 5 CYS HB3 H 1 2.541 0.020 . 1 . . . . A 5 CYS HB3 . 34564 1 44 . 1 . 1 5 5 CYS CA C 13 55.222 0.400 . 1 . . . . A 5 CYS CA . 34564 1 45 . 1 . 1 5 5 CYS CB C 13 48.492 0.400 . 1 . . . . A 5 CYS CB . 34564 1 46 . 1 . 1 6 6 ILE H H 1 9.108 0.020 . 1 . . . . A 6 ILE H . 34564 1 47 . 1 . 1 6 6 ILE HA H 1 4.573 0.020 . 1 . . . . A 6 ILE HA . 34564 1 48 . 1 . 1 6 6 ILE HB H 1 1.908 0.020 . 1 . . . . A 6 ILE HB . 34564 1 49 . 1 . 1 6 6 ILE HG12 H 1 1.439 0.020 . 2 . . . . A 6 ILE HG12 . 34564 1 50 . 1 . 1 6 6 ILE HG13 H 1 1.265 0.020 . 2 . . . . A 6 ILE HG13 . 34564 1 51 . 1 . 1 6 6 ILE HG21 H 1 0.966 0.020 . 1 . . . . A 6 ILE HG21 . 34564 1 52 . 1 . 1 6 6 ILE HG22 H 1 0.966 0.020 . 1 . . . . A 6 ILE HG22 . 34564 1 53 . 1 . 1 6 6 ILE HG23 H 1 0.966 0.020 . 1 . . . . A 6 ILE HG23 . 34564 1 54 . 1 . 1 6 6 ILE HD11 H 1 0.922 0.020 . 1 . . . . A 6 ILE HD11 . 34564 1 55 . 1 . 1 6 6 ILE HD12 H 1 0.922 0.020 . 1 . . . . A 6 ILE HD12 . 34564 1 56 . 1 . 1 6 6 ILE HD13 H 1 0.922 0.020 . 1 . . . . A 6 ILE HD13 . 34564 1 57 . 1 . 1 6 6 ILE CB C 13 42.271 0.400 . 1 . . . . A 6 ILE CB . 34564 1 58 . 1 . 1 6 6 ILE CG1 C 13 26.610 0.400 . 1 . . . . A 6 ILE CG1 . 34564 1 59 . 1 . 1 6 6 ILE CG2 C 13 17.563 0.400 . 1 . . . . A 6 ILE CG2 . 34564 1 60 . 1 . 1 6 6 ILE CD1 C 13 13.628 0.400 . 1 . . . . A 6 ILE CD1 . 34564 1 61 . 1 . 1 7 7 ARG H H 1 8.429 0.020 . 1 . . . . A 7 ARG H . 34564 1 62 . 1 . 1 7 7 ARG HA H 1 4.827 0.020 . 1 . . . . A 7 ARG HA . 34564 1 63 . 1 . 1 7 7 ARG HB2 H 1 1.704 0.020 . 2 . . . . A 7 ARG HB2 . 34564 1 64 . 1 . 1 7 7 ARG HB3 H 1 1.546 0.020 . 2 . . . . A 7 ARG HB3 . 34564 1 65 . 1 . 1 7 7 ARG HG2 H 1 1.423 0.020 . 2 . . . . A 7 ARG HG2 . 34564 1 66 . 1 . 1 7 7 ARG HG3 H 1 1.350 0.020 . 2 . . . . A 7 ARG HG3 . 34564 1 67 . 1 . 1 7 7 ARG HD2 H 1 3.081 0.020 . 2 . . . . A 7 ARG HD2 . 34564 1 68 . 1 . 1 7 7 ARG HD3 H 1 3.081 0.020 . 2 . . . . A 7 ARG HD3 . 34564 1 69 . 1 . 1 7 7 ARG HE H 1 7.149 0.020 . 1 . . . . A 7 ARG HE . 34564 1 70 . 1 . 1 7 7 ARG CB C 13 31.615 0.400 . 1 . . . . A 7 ARG CB . 34564 1 71 . 1 . 1 7 7 ARG CG C 13 27.925 0.400 . 1 . . . . A 7 ARG CG . 34564 1 72 . 1 . 1 7 7 ARG CD C 13 43.710 0.400 . 1 . . . . A 7 ARG CD . 34564 1 73 . 1 . 1 8 8 VAL H H 1 8.840 0.020 . 1 . . . . A 8 VAL H . 34564 1 74 . 1 . 1 8 8 VAL HA H 1 4.177 0.020 . 1 . . . . A 8 VAL HA . 34564 1 75 . 1 . 1 8 8 VAL HB H 1 1.426 0.020 . 1 . . . . A 8 VAL HB . 34564 1 76 . 1 . 1 8 8 VAL HG11 H 1 0.747 0.020 . 2 . . . . A 8 VAL HG11 . 34564 1 77 . 1 . 1 8 8 VAL HG12 H 1 0.747 0.020 . 2 . . . . A 8 VAL HG12 . 34564 1 78 . 1 . 1 8 8 VAL HG13 H 1 0.747 0.020 . 2 . . . . A 8 VAL HG13 . 34564 1 79 . 1 . 1 8 8 VAL HG21 H 1 0.799 0.020 . 2 . . . . A 8 VAL HG21 . 34564 1 80 . 1 . 1 8 8 VAL HG22 H 1 0.799 0.020 . 2 . . . . A 8 VAL HG22 . 34564 1 81 . 1 . 1 8 8 VAL HG23 H 1 0.799 0.020 . 2 . . . . A 8 VAL HG23 . 34564 1 82 . 1 . 1 8 8 VAL CA C 13 61.163 0.400 . 1 . . . . A 8 VAL CA . 34564 1 83 . 1 . 1 8 8 VAL CB C 13 33.966 0.400 . 1 . . . . A 8 VAL CB . 34564 1 84 . 1 . 1 8 8 VAL CG1 C 13 20.516 0.400 . 2 . . . . A 8 VAL CG1 . 34564 1 85 . 1 . 1 8 8 VAL CG2 C 13 20.998 0.400 . 2 . . . . A 8 VAL CG2 . 34564 1 86 . 1 . 1 9 9 CYS H H 1 8.634 0.020 . 1 . . . . A 9 CYS H . 34564 1 87 . 1 . 1 9 9 CYS HA H 1 5.543 0.020 . 1 . . . . A 9 CYS HA . 34564 1 88 . 1 . 1 9 9 CYS HB2 H 1 2.965 0.020 . 1 . . . . A 9 CYS HB2 . 34564 1 89 . 1 . 1 9 9 CYS HB3 H 1 2.661 0.020 . 1 . . . . A 9 CYS HB3 . 34564 1 90 . 1 . 1 9 9 CYS CA C 13 55.136 0.400 . 1 . . . . A 9 CYS CA . 34564 1 91 . 1 . 1 9 9 CYS CB C 13 48.022 0.400 . 1 . . . . A 9 CYS CB . 34564 1 92 . 1 . 1 10 10 ARG H H 1 8.905 0.020 . 1 . . . . A 10 ARG H . 34564 1 93 . 1 . 1 10 10 ARG HA H 1 4.480 0.020 . 1 . . . . A 10 ARG HA . 34564 1 94 . 1 . 1 10 10 ARG HB2 H 1 1.786 0.020 . 2 . . . . A 10 ARG HB2 . 34564 1 95 . 1 . 1 10 10 ARG HB3 H 1 1.819 0.020 . 2 . . . . A 10 ARG HB3 . 34564 1 96 . 1 . 1 10 10 ARG HG2 H 1 1.629 0.020 . 2 . . . . A 10 ARG HG2 . 34564 1 97 . 1 . 1 10 10 ARG HG3 H 1 1.527 0.020 . 2 . . . . A 10 ARG HG3 . 34564 1 98 . 1 . 1 10 10 ARG HD2 H 1 3.210 0.020 . 2 . . . . A 10 ARG HD2 . 34564 1 99 . 1 . 1 10 10 ARG HD3 H 1 3.210 0.020 . 2 . . . . A 10 ARG HD3 . 34564 1 100 . 1 . 1 10 10 ARG HE H 1 7.181 0.020 . 1 . . . . A 10 ARG HE . 34564 1 101 . 1 . 1 10 10 ARG CB C 13 32.856 0.400 . 1 . . . . A 10 ARG CB . 34564 1 102 . 1 . 1 10 10 ARG CG C 13 27.077 0.400 . 1 . . . . A 10 ARG CG . 34564 1 103 . 1 . 1 10 10 ARG CD C 13 43.347 0.400 . 1 . . . . A 10 ARG CD . 34564 1 104 . 1 . 1 11 11 ASN H H 1 9.537 0.020 . 1 . . . . A 11 ASN H . 34564 1 105 . 1 . 1 11 11 ASN HA H 1 4.364 0.020 . 1 . . . . A 11 ASN HA . 34564 1 106 . 1 . 1 11 11 ASN HB2 H 1 2.785 0.020 . 1 . . . . A 11 ASN HB2 . 34564 1 107 . 1 . 1 11 11 ASN HB3 H 1 3.087 0.020 . 1 . . . . A 11 ASN HB3 . 34564 1 108 . 1 . 1 11 11 ASN HD21 H 1 7.595 0.020 . 2 . . . . A 11 ASN HD21 . 34564 1 109 . 1 . 1 11 11 ASN HD22 H 1 6.863 0.020 . 2 . . . . A 11 ASN HD22 . 34564 1 110 . 1 . 1 11 11 ASN CB C 13 37.399 0.400 . 1 . . . . A 11 ASN CB . 34564 1 111 . 1 . 1 12 12 GLY H H 1 8.682 0.020 . 1 . . . . A 12 GLY H . 34564 1 112 . 1 . 1 12 12 GLY HA2 H 1 3.582 0.020 . 1 . . . . A 12 GLY HA2 . 34564 1 113 . 1 . 1 12 12 GLY HA3 H 1 4.170 0.020 . 1 . . . . A 12 GLY HA3 . 34564 1 114 . 1 . 1 12 12 GLY CA C 13 45.337 0.400 . 1 . . . . A 12 GLY CA . 34564 1 115 . 1 . 1 13 13 VAL H H 1 7.741 0.020 . 1 . . . . A 13 VAL H . 34564 1 116 . 1 . 1 13 13 VAL HA H 1 4.289 0.020 . 1 . . . . A 13 VAL HA . 34564 1 117 . 1 . 1 13 13 VAL HB H 1 2.117 0.020 . 1 . . . . A 13 VAL HB . 34564 1 118 . 1 . 1 13 13 VAL HG11 H 1 0.886 0.020 . 2 . . . . A 13 VAL HG11 . 34564 1 119 . 1 . 1 13 13 VAL HG12 H 1 0.886 0.020 . 2 . . . . A 13 VAL HG12 . 34564 1 120 . 1 . 1 13 13 VAL HG13 H 1 0.886 0.020 . 2 . . . . A 13 VAL HG13 . 34564 1 121 . 1 . 1 13 13 VAL HG21 H 1 0.935 0.020 . 2 . . . . A 13 VAL HG21 . 34564 1 122 . 1 . 1 13 13 VAL HG22 H 1 0.935 0.020 . 2 . . . . A 13 VAL HG22 . 34564 1 123 . 1 . 1 13 13 VAL HG23 H 1 0.935 0.020 . 2 . . . . A 13 VAL HG23 . 34564 1 124 . 1 . 1 13 13 VAL CA C 13 61.573 0.400 . 1 . . . . A 13 VAL CA . 34564 1 125 . 1 . 1 13 13 VAL CB C 13 33.778 0.400 . 1 . . . . A 13 VAL CB . 34564 1 126 . 1 . 1 13 13 VAL CG1 C 13 21.152 0.400 . 2 . . . . A 13 VAL CG1 . 34564 1 127 . 1 . 1 13 13 VAL CG2 C 13 20.537 0.400 . 2 . . . . A 13 VAL CG2 . 34564 1 128 . 1 . 1 14 14 CYS H H 1 8.671 0.020 . 1 . . . . A 14 CYS H . 34564 1 129 . 1 . 1 14 14 CYS HA H 1 5.797 0.020 . 1 . . . . A 14 CYS HA . 34564 1 130 . 1 . 1 14 14 CYS HB2 H 1 2.952 0.020 . 1 . . . . A 14 CYS HB2 . 34564 1 131 . 1 . 1 14 14 CYS HB3 H 1 2.514 0.020 . 1 . . . . A 14 CYS HB3 . 34564 1 132 . 1 . 1 14 14 CYS CB C 13 47.705 0.400 . 1 . . . . A 14 CYS CB . 34564 1 133 . 1 . 1 15 15 TYR H H 1 9.071 0.020 . 1 . . . . A 15 TYR H . 34564 1 134 . 1 . 1 15 15 TYR HA H 1 4.809 0.020 . 1 . . . . A 15 TYR HA . 34564 1 135 . 1 . 1 15 15 TYR HB2 H 1 2.959 0.020 . 2 . . . . A 15 TYR HB2 . 34564 1 136 . 1 . 1 15 15 TYR HB3 H 1 3.022 0.020 . 2 . . . . A 15 TYR HB3 . 34564 1 137 . 1 . 1 15 15 TYR HD1 H 1 6.941 0.020 . 1 . . . . A 15 TYR HD1 . 34564 1 138 . 1 . 1 15 15 TYR HD2 H 1 6.941 0.020 . 1 . . . . A 15 TYR HD2 . 34564 1 139 . 1 . 1 15 15 TYR HE1 H 1 6.653 0.020 . 1 . . . . A 15 TYR HE1 . 34564 1 140 . 1 . 1 15 15 TYR HE2 H 1 6.653 0.020 . 1 . . . . A 15 TYR HE2 . 34564 1 141 . 1 . 1 15 15 TYR CB C 13 40.479 0.400 . 1 . . . . A 15 TYR CB . 34564 1 142 . 1 . 1 15 15 TYR CD1 C 13 133.848 0.400 . 3 . . . . A 15 TYR CD1 . 34564 1 143 . 1 . 1 15 15 TYR CE2 C 13 117.765 0.400 . 3 . . . . A 15 TYR CE2 . 34564 1 144 . 1 . 1 16 16 ARG H H 1 8.633 0.020 . 1 . . . . A 16 ARG H . 34564 1 145 . 1 . 1 16 16 ARG HA H 1 5.002 0.020 . 1 . . . . A 16 ARG HA . 34564 1 146 . 1 . 1 16 16 ARG HB2 H 1 1.714 0.020 . 2 . . . . A 16 ARG HB2 . 34564 1 147 . 1 . 1 16 16 ARG HB3 H 1 1.635 0.020 . 2 . . . . A 16 ARG HB3 . 34564 1 148 . 1 . 1 16 16 ARG HG2 H 1 1.513 0.020 . 2 . . . . A 16 ARG HG2 . 34564 1 149 . 1 . 1 16 16 ARG HG3 H 1 1.419 0.020 . 2 . . . . A 16 ARG HG3 . 34564 1 150 . 1 . 1 16 16 ARG HD2 H 1 3.093 0.020 . 2 . . . . A 16 ARG HD2 . 34564 1 151 . 1 . 1 16 16 ARG HD3 H 1 3.093 0.020 . 2 . . . . A 16 ARG HD3 . 34564 1 152 . 1 . 1 16 16 ARG HE H 1 7.157 0.020 . 1 . . . . A 16 ARG HE . 34564 1 153 . 1 . 1 16 16 ARG CA C 13 55.077 0.400 . 1 . . . . A 16 ARG CA . 34564 1 154 . 1 . 1 16 16 ARG CB C 13 32.074 0.400 . 1 . . . . A 16 ARG CB . 34564 1 155 . 1 . 1 16 16 ARG CG C 13 27.850 0.400 . 1 . . . . A 16 ARG CG . 34564 1 156 . 1 . 1 16 16 ARG CD C 13 43.656 0.400 . 1 . . . . A 16 ARG CD . 34564 1 157 . 1 . 1 17 17 ARG H H 1 8.888 0.020 . 1 . . . . A 17 ARG H . 34564 1 158 . 1 . 1 17 17 ARG HA H 1 4.634 0.020 . 1 . . . . A 17 ARG HA . 34564 1 159 . 1 . 1 17 17 ARG HB2 H 1 1.701 0.020 . 2 . . . . A 17 ARG HB2 . 34564 1 160 . 1 . 1 17 17 ARG HB3 H 1 1.631 0.020 . 2 . . . . A 17 ARG HB3 . 34564 1 161 . 1 . 1 17 17 ARG HG2 H 1 1.544 0.020 . 2 . . . . A 17 ARG HG2 . 34564 1 162 . 1 . 1 17 17 ARG HG3 H 1 1.338 0.020 . 2 . . . . A 17 ARG HG3 . 34564 1 163 . 1 . 1 17 17 ARG HD2 H 1 3.049 0.020 . 2 . . . . A 17 ARG HD2 . 34564 1 164 . 1 . 1 17 17 ARG HD3 H 1 3.049 0.020 . 2 . . . . A 17 ARG HD3 . 34564 1 165 . 1 . 1 17 17 ARG HE H 1 6.939 0.020 . 1 . . . . A 17 ARG HE . 34564 1 166 . 1 . 1 17 17 ARG CB C 13 33.021 0.400 . 1 . . . . A 17 ARG CB . 34564 1 167 . 1 . 1 17 17 ARG CG C 13 27.157 0.400 . 1 . . . . A 17 ARG CG . 34564 1 168 . 1 . 1 17 17 ARG CD C 13 43.388 0.400 . 1 . . . . A 17 ARG CD . 34564 1 169 . 1 . 1 18 18 CYS H H 1 8.621 0.020 . 1 . . . . A 18 CYS H . 34564 1 170 . 1 . 1 18 18 CYS HA H 1 5.797 0.020 . 1 . . . . A 18 CYS HA . 34564 1 171 . 1 . 1 18 18 CYS HB2 H 1 2.947 0.020 . 1 . . . . A 18 CYS HB2 . 34564 1 172 . 1 . 1 18 18 CYS HB3 H 1 2.755 0.020 . 1 . . . . A 18 CYS HB3 . 34564 1 173 . 1 . 1 18 18 CYS CA C 13 55.057 0.400 . 1 . . . . A 18 CYS CA . 34564 1 174 . 1 . 1 18 18 CYS CB C 13 48.182 0.400 . 1 . . . . A 18 CYS CB . 34564 1 175 . 1 . 1 19 19 TRP H H 1 9.095 0.020 . 1 . . . . A 19 TRP H . 34564 1 176 . 1 . 1 19 19 TRP HA H 1 4.804 0.020 . 1 . . . . A 19 TRP HA . 34564 1 177 . 1 . 1 19 19 TRP HB2 H 1 3.344 0.020 . 1 . . . . A 19 TRP HB2 . 34564 1 178 . 1 . 1 19 19 TRP HB3 H 1 3.204 0.020 . 1 . . . . A 19 TRP HB3 . 34564 1 179 . 1 . 1 19 19 TRP HD1 H 1 7.185 0.020 . 1 . . . . A 19 TRP HD1 . 34564 1 180 . 1 . 1 19 19 TRP HE1 H 1 10.002 0.020 . 1 . . . . A 19 TRP HE1 . 34564 1 181 . 1 . 1 19 19 TRP HE3 H 1 7.476 0.020 . 1 . . . . A 19 TRP HE3 . 34564 1 182 . 1 . 1 19 19 TRP HZ2 H 1 7.374 0.020 . 1 . . . . A 19 TRP HZ2 . 34564 1 183 . 1 . 1 19 19 TRP HZ3 H 1 6.930 0.020 . 1 . . . . A 19 TRP HZ3 . 34564 1 184 . 1 . 1 19 19 TRP HH2 H 1 7.067 0.020 . 1 . . . . A 19 TRP HH2 . 34564 1 185 . 1 . 1 19 19 TRP CB C 13 31.525 0.400 . 1 . . . . A 19 TRP CB . 34564 1 186 . 1 . 1 19 19 TRP CD1 C 13 127.174 0.400 . 1 . . . . A 19 TRP CD1 . 34564 1 187 . 1 . 1 19 19 TRP CE3 C 13 121.035 0.400 . 1 . . . . A 19 TRP CE3 . 34564 1 188 . 1 . 1 19 19 TRP CZ2 C 13 114.480 0.400 . 1 . . . . A 19 TRP CZ2 . 34564 1 189 . 1 . 1 19 19 TRP CZ3 C 13 121.687 0.400 . 1 . . . . A 19 TRP CZ3 . 34564 1 190 . 1 . 1 19 19 TRP CH2 C 13 123.923 0.400 . 1 . . . . A 19 TRP CH2 . 34564 1 191 . 1 . 1 20 20 GLY H H 1 8.224 0.020 . 1 . . . . A 20 GLY H . 34564 1 192 . 1 . 1 20 20 GLY HA2 H 1 4.021 0.020 . 2 . . . . A 20 GLY HA2 . 34564 1 193 . 1 . 1 20 20 GLY HA3 H 1 3.647 0.020 . 2 . . . . A 20 GLY HA3 . 34564 1 194 . 1 . 1 20 20 GLY CA C 13 46.042 0.400 . 1 . . . . A 20 GLY CA . 34564 1 stop_ save_