################################### # 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_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 16605 _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 $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err 0.025 _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 2 '2D 1H-1H TOCSY' . . . 16605 1 3 '2D 1H-1H COSY' . . . 16605 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 3 $NMRView . . 16605 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.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 3.775 0.025 . 1 . . . . 1 GLY QA . 16605 1 2 . 1 1 1 1 GLY HA3 H 1 3.775 0.025 . 1 . . . . 1 GLY QA . 16605 1 3 . 1 1 2 2 ASP H H 1 8.687 0.025 . 1 . . . . 2 ASP H . 16605 1 4 . 1 1 2 2 ASP HA H 1 4.737 0.025 . 1 . . . . 2 ASP HA . 16605 1 5 . 1 1 2 2 ASP HB2 H 1 2.823 0.025 . 1 . . . . 2 ASP HB2 . 16605 1 6 . 1 1 2 2 ASP HB3 H 1 2.720 0.025 . 1 . . . . 2 ASP HB3 . 16605 1 7 . 1 1 3 3 CYS H H 1 8.165 0.025 . 1 . . . . 3 CYS H . 16605 1 8 . 1 1 3 3 CYS HA H 1 4.646 0.025 . 1 . . . . 3 CYS HA . 16605 1 9 . 1 1 3 3 CYS HB2 H 1 3.088 0.025 . 1 . . . . 3 CYS HB2 . 16605 1 10 . 1 1 3 3 CYS HB3 H 1 2.821 0.025 . 1 . . . . 3 CYS HB3 . 16605 1 11 . 1 1 4 4 LEU H H 1 9.114 0.025 . 1 . . . . 4 LEU H . 16605 1 12 . 1 1 4 4 LEU HA H 1 4.716 0.025 . 1 . . . . 4 LEU HA . 16605 1 13 . 1 1 4 4 LEU HB2 H 1 2.096 0.025 . 1 . . . . 4 LEU QB . 16605 1 14 . 1 1 4 4 LEU HB3 H 1 2.096 0.025 . 1 . . . . 4 LEU QB . 16605 1 15 . 1 1 4 4 LEU HD11 H 1 1.239 0.025 . 1 . . . . 4 LEU QD1 . 16605 1 16 . 1 1 4 4 LEU HD12 H 1 1.239 0.025 . 1 . . . . 4 LEU QD1 . 16605 1 17 . 1 1 4 4 LEU HD13 H 1 1.239 0.025 . 1 . . . . 4 LEU QD1 . 16605 1 18 . 1 1 4 4 LEU HD21 H 1 0.859 0.025 . 1 . . . . 4 LEU QD2 . 16605 1 19 . 1 1 4 4 LEU HD22 H 1 0.859 0.025 . 1 . . . . 4 LEU QD2 . 16605 1 20 . 1 1 4 4 LEU HD23 H 1 0.859 0.025 . 1 . . . . 4 LEU QD2 . 16605 1 21 . 1 1 4 4 LEU HG H 1 1.781 0.025 . 1 . . . . 4 LEU HG . 16605 1 22 . 1 1 5 5 PRO HA H 1 4.484 0.025 . 1 . . . . 5 PRO HA . 16605 1 23 . 1 1 5 5 PRO HB2 H 1 2.262 0.025 . 1 . . . . 5 PRO HB2 . 16605 1 24 . 1 1 5 5 PRO HB3 H 1 2.122 0.025 . 1 . . . . 5 PRO HB3 . 16605 1 25 . 1 1 5 5 PRO HD2 H 1 3.938 0.025 . 1 . . . . 5 PRO HD2 . 16605 1 26 . 1 1 5 5 PRO HD3 H 1 3.532 0.025 . 1 . . . . 5 PRO HD3 . 16605 1 27 . 1 1 5 5 PRO HG2 H 1 2.062 0.025 . 1 . . . . 5 PRO HG2 . 16605 1 28 . 1 1 5 5 PRO HG3 H 1 1.721 0.025 . 1 . . . . 5 PRO HG3 . 16605 1 29 . 1 1 6 6 HIS H H 1 8.013 0.025 . 1 . . . . 6 HIS H . 16605 1 30 . 1 1 6 6 HIS HA H 1 4.071 0.025 . 1 . . . . 6 HIS HA . 16605 1 31 . 1 1 6 6 HIS HB2 H 1 3.132 0.025 . 1 . . . . 6 HIS HB2 . 16605 1 32 . 1 1 6 6 HIS HB3 H 1 2.984 0.025 . 1 . . . . 6 HIS HB3 . 16605 1 33 . 1 1 6 6 HIS HD1 H 1 7.300 0.025 . 1 . . . . 6 HIS HD1 . 16605 1 34 . 1 1 6 6 HIS HD2 H 1 7.300 0.025 . 1 . . . . 6 HIS HD2 . 16605 1 35 . 1 1 6 6 HIS HE1 H 1 8.629 0.025 . 1 . . . . 6 HIS HE1 . 16605 1 36 . 1 1 7 7 LEU H H 1 9.271 0.025 . 1 . . . . 7 LEU H . 16605 1 37 . 1 1 7 7 LEU HA H 1 3.454 0.025 . 1 . . . . 7 LEU HA . 16605 1 38 . 1 1 7 7 LEU HB2 H 1 1.862 0.025 . 1 . . . . 7 LEU HB2 . 16605 1 39 . 1 1 7 7 LEU HB3 H 1 1.478 0.025 . 1 . . . . 7 LEU HB3 . 16605 1 40 . 1 1 7 7 LEU HD11 H 1 0.623 0.025 . 1 . . . . 7 LEU QD1 . 16605 1 41 . 1 1 7 7 LEU HD12 H 1 0.623 0.025 . 1 . . . . 7 LEU QD1 . 16605 1 42 . 1 1 7 7 LEU HD13 H 1 0.623 0.025 . 1 . . . . 7 LEU QD1 . 16605 1 43 . 1 1 7 7 LEU HD21 H 1 0.519 0.025 . 1 . . . . 7 LEU QD2 . 16605 1 44 . 1 1 7 7 LEU HD22 H 1 0.519 0.025 . 1 . . . . 7 LEU QD2 . 16605 1 45 . 1 1 7 7 LEU HD23 H 1 0.519 0.025 . 1 . . . . 7 LEU QD2 . 16605 1 46 . 1 1 7 7 LEU HG H 1 0.227 0.025 . 1 . . . . 7 LEU HG . 16605 1 47 . 1 1 8 8 LYS H H 1 7.358 0.025 . 1 . . . . 8 LYS H . 16605 1 48 . 1 1 8 8 LYS HA H 1 4.213 0.025 . 1 . . . . 8 LYS HA . 16605 1 49 . 1 1 8 8 LYS HB2 H 1 1.802 0.025 . 1 . . . . 8 LYS HB2 . 16605 1 50 . 1 1 8 8 LYS HB3 H 1 1.714 0.025 . 1 . . . . 8 LYS HB3 . 16605 1 51 . 1 1 8 8 LYS HD2 H 1 1.624 0.025 . 1 . . . . 8 LYS QD . 16605 1 52 . 1 1 8 8 LYS HD3 H 1 1.624 0.025 . 1 . . . . 8 LYS QD . 16605 1 53 . 1 1 8 8 LYS HE2 H 1 2.935 0.025 . 1 . . . . 8 LYS HE2 . 16605 1 54 . 1 1 8 8 LYS HE3 H 1 2.857 0.025 . 1 . . . . 8 LYS HE3 . 16605 1 55 . 1 1 8 8 LYS HG2 H 1 1.454 0.025 . 1 . . . . 8 LYS HG2 . 16605 1 56 . 1 1 8 8 LYS HG3 H 1 1.344 0.025 . 1 . . . . 8 LYS HG3 . 16605 1 57 . 1 1 8 8 LYS HZ1 H 1 7.519 0.025 . 1 . . . . 8 LYS QZ . 16605 1 58 . 1 1 8 8 LYS HZ2 H 1 7.519 0.025 . 1 . . . . 8 LYS QZ . 16605 1 59 . 1 1 8 8 LYS HZ3 H 1 7.519 0.025 . 1 . . . . 8 LYS QZ . 16605 1 60 . 1 1 9 9 LEU H H 1 8.147 0.025 . 1 . . . . 9 LEU H . 16605 1 61 . 1 1 9 9 LEU HA H 1 4.504 0.025 . 1 . . . . 9 LEU HA . 16605 1 62 . 1 1 9 9 LEU HB2 H 1 1.507 0.025 . 1 . . . . 9 LEU HB2 . 16605 1 63 . 1 1 9 9 LEU HB3 H 1 1.362 0.025 . 1 . . . . 9 LEU HB3 . 16605 1 64 . 1 1 9 9 LEU HD11 H 1 0.835 0.025 . 1 . . . . 9 LEU QD1 . 16605 1 65 . 1 1 9 9 LEU HD12 H 1 0.835 0.025 . 1 . . . . 9 LEU QD1 . 16605 1 66 . 1 1 9 9 LEU HD13 H 1 0.835 0.025 . 1 . . . . 9 LEU QD1 . 16605 1 67 . 1 1 9 9 LEU HD21 H 1 0.745 0.025 . 1 . . . . 9 LEU QD2 . 16605 1 68 . 1 1 9 9 LEU HD22 H 1 0.745 0.025 . 1 . . . . 9 LEU QD2 . 16605 1 69 . 1 1 9 9 LEU HD23 H 1 0.745 0.025 . 1 . . . . 9 LEU QD2 . 16605 1 70 . 1 1 9 9 LEU HG H 1 1.587 0.025 . 1 . . . . 9 LEU HG . 16605 1 71 . 1 1 10 10 CYS H H 1 7.879 0.025 . 1 . . . . 10 CYS H . 16605 1 72 . 1 1 10 10 CYS HA H 1 4.805 0.025 . 1 . . . . 10 CYS HA . 16605 1 73 . 1 1 10 10 CYS HB2 H 1 3.017 0.025 . 1 . . . . 10 CYS HB2 . 16605 1 74 . 1 1 10 10 CYS HB3 H 1 2.951 0.025 . 1 . . . . 10 CYS HB3 . 16605 1 75 . 1 1 11 11 LYS H H 1 8.598 0.025 . 1 . . . . 11 LYS H . 16605 1 76 . 1 1 11 11 LYS HA H 1 4.314 0.025 . 1 . . . . 11 LYS HA . 16605 1 77 . 1 1 11 11 LYS HB2 H 1 1.755 0.025 . 1 . . . . 11 LYS HB2 . 16605 1 78 . 1 1 11 11 LYS HB3 H 1 1.528 0.025 . 1 . . . . 11 LYS HB3 . 16605 1 79 . 1 1 11 11 LYS HD2 H 1 1.340 0.025 . 1 . . . . 11 LYS QD . 16605 1 80 . 1 1 11 11 LYS HD3 H 1 1.340 0.025 . 1 . . . . 11 LYS QD . 16605 1 81 . 1 1 11 11 LYS HE2 H 1 2.885 0.025 . 1 . . . . 11 LYS QE . 16605 1 82 . 1 1 11 11 LYS HE3 H 1 2.885 0.025 . 1 . . . . 11 LYS QE . 16605 1 83 . 1 1 11 11 LYS HG2 H 1 1.249 0.025 . 1 . . . . 11 LYS QG . 16605 1 84 . 1 1 11 11 LYS HG3 H 1 1.249 0.025 . 1 . . . . 11 LYS QG . 16605 1 85 . 1 1 11 11 LYS HZ1 H 1 7.399 0.025 . 1 . . . . 11 LYS QZ . 16605 1 86 . 1 1 11 11 LYS HZ2 H 1 7.399 0.025 . 1 . . . . 11 LYS QZ . 16605 1 87 . 1 1 11 11 LYS HZ3 H 1 7.399 0.025 . 1 . . . . 11 LYS QZ . 16605 1 88 . 1 1 12 12 GLU H H 1 7.741 0.025 . 1 . . . . 12 GLU H . 16605 1 89 . 1 1 12 12 GLU HA H 1 4.579 0.025 . 1 . . . . 12 GLU HA . 16605 1 90 . 1 1 12 12 GLU HB2 H 1 1.748 0.025 . 1 . . . . 12 GLU QB . 16605 1 91 . 1 1 12 12 GLU HB3 H 1 1.748 0.025 . 1 . . . . 12 GLU QB . 16605 1 92 . 1 1 12 12 GLU HG2 H 1 2.208 0.025 . 1 . . . . 12 GLU QG . 16605 1 93 . 1 1 12 12 GLU HG3 H 1 2.208 0.025 . 1 . . . . 12 GLU QG . 16605 1 94 . 1 1 13 13 ASN H H 1 8.964 0.025 . 1 . . . . 13 ASN H . 16605 1 95 . 1 1 13 13 ASN HA H 1 3.874 0.025 . 1 . . . . 13 ASN HA . 16605 1 96 . 1 1 13 13 ASN HB2 H 1 2.722 0.025 . 1 . . . . 13 ASN QB . 16605 1 97 . 1 1 13 13 ASN HB3 H 1 2.722 0.025 . 1 . . . . 13 ASN QB . 16605 1 98 . 1 1 13 13 ASN HD21 H 1 7.636 0.025 . 1 . . . . 13 ASN HD21 . 16605 1 99 . 1 1 13 13 ASN HD22 H 1 6.764 0.025 . 1 . . . . 13 ASN HD22 . 16605 1 100 . 1 1 14 14 LYS H H 1 8.361 0.025 . 1 . . . . 14 LYS H . 16605 1 101 . 1 1 14 14 LYS HA H 1 3.927 0.025 . 1 . . . . 14 LYS HA . 16605 1 102 . 1 1 14 14 LYS HB2 H 1 1.826 0.025 . 1 . . . . 14 LYS HB2 . 16605 1 103 . 1 1 14 14 LYS HB3 H 1 1.723 0.025 . 1 . . . . 14 LYS HB3 . 16605 1 104 . 1 1 14 14 LYS HD2 H 1 1.514 0.025 . 1 . . . . 14 LYS QD . 16605 1 105 . 1 1 14 14 LYS HD3 H 1 1.514 0.025 . 1 . . . . 14 LYS QD . 16605 1 106 . 1 1 14 14 LYS HE2 H 1 2.830 0.025 . 1 . . . . 14 LYS QE . 16605 1 107 . 1 1 14 14 LYS HE3 H 1 2.830 0.025 . 1 . . . . 14 LYS QE . 16605 1 108 . 1 1 14 14 LYS HG2 H 1 1.211 0.025 . 1 . . . . 14 LYS QG . 16605 1 109 . 1 1 14 14 LYS HG3 H 1 1.211 0.025 . 1 . . . . 14 LYS QG . 16605 1 110 . 1 1 15 15 ASP H H 1 7.674 0.025 . 1 . . . . 15 ASP H . 16605 1 111 . 1 1 15 15 ASP HA H 1 4.306 0.025 . 1 . . . . 15 ASP HA . 16605 1 112 . 1 1 15 15 ASP HB2 H 1 2.885 0.025 . 1 . . . . 15 ASP QB . 16605 1 113 . 1 1 15 15 ASP HB3 H 1 2.885 0.025 . 1 . . . . 15 ASP QB . 16605 1 114 . 1 1 16 16 CYS H H 1 7.679 0.025 . 1 . . . . 16 CYS H . 16605 1 115 . 1 1 16 16 CYS HA H 1 4.878 0.025 . 1 . . . . 16 CYS HA . 16605 1 116 . 1 1 16 16 CYS HB2 H 1 3.385 0.025 . 1 . . . . 16 CYS HB2 . 16605 1 117 . 1 1 16 16 CYS HB3 H 1 2.502 0.025 . 1 . . . . 16 CYS HB3 . 16605 1 118 . 1 1 17 17 CYS H H 1 9.984 0.025 . 1 . . . . 17 CYS H . 16605 1 119 . 1 1 17 17 CYS HA H 1 4.402 0.025 . 1 . . . . 17 CYS HA . 16605 1 120 . 1 1 17 17 CYS HB2 H 1 3.109 0.025 . 1 . . . . 17 CYS HB2 . 16605 1 121 . 1 1 17 17 CYS HB3 H 1 2.748 0.025 . 1 . . . . 17 CYS HB3 . 16605 1 122 . 1 1 18 18 SER H H 1 9.223 0.025 . 1 . . . . 18 SER H . 16605 1 123 . 1 1 18 18 SER HA H 1 4.095 0.025 . 1 . . . . 18 SER HA . 16605 1 124 . 1 1 18 18 SER HB2 H 1 3.981 0.025 . 1 . . . . 18 SER HB2 . 16605 1 125 . 1 1 18 18 SER HB3 H 1 3.762 0.025 . 1 . . . . 18 SER HB3 . 16605 1 126 . 1 1 19 19 LYS H H 1 7.520 0.025 . 1 . . . . 19 LYS H . 16605 1 127 . 1 1 19 19 LYS HA H 1 4.057 0.025 . 1 . . . . 19 LYS HA . 16605 1 128 . 1 1 19 19 LYS HB2 H 1 2.006 0.025 . 1 . . . . 19 LYS HB2 . 16605 1 129 . 1 1 19 19 LYS HB3 H 1 1.835 0.025 . 1 . . . . 19 LYS HB3 . 16605 1 130 . 1 1 19 19 LYS HD2 H 1 1.705 0.025 . 1 . . . . 19 LYS HD2 . 16605 1 131 . 1 1 19 19 LYS HD3 H 1 1.455 0.025 . 1 . . . . 19 LYS HD3 . 16605 1 132 . 1 1 19 19 LYS HE2 H 1 2.906 0.025 . 1 . . . . 19 LYS QE . 16605 1 133 . 1 1 19 19 LYS HE3 H 1 2.906 0.025 . 1 . . . . 19 LYS QE . 16605 1 134 . 1 1 19 19 LYS HG2 H 1 1.275 0.025 . 1 . . . . 19 LYS HG2 . 16605 1 135 . 1 1 19 19 LYS HG3 H 1 1.170 0.025 . 1 . . . . 19 LYS HG3 . 16605 1 136 . 1 1 19 19 LYS HZ1 H 1 7.434 0.025 . 1 . . . . 19 LYS QZ . 16605 1 137 . 1 1 19 19 LYS HZ2 H 1 7.434 0.025 . 1 . . . . 19 LYS QZ . 16605 1 138 . 1 1 19 19 LYS HZ3 H 1 7.434 0.025 . 1 . . . . 19 LYS QZ . 16605 1 139 . 1 1 20 20 LYS H H 1 7.300 0.025 . 1 . . . . 20 LYS H . 16605 1 140 . 1 1 20 20 LYS HA H 1 4.311 0.025 . 1 . . . . 20 LYS HA . 16605 1 141 . 1 1 20 20 LYS HB2 H 1 1.575 0.025 . 1 . . . . 20 LYS QB . 16605 1 142 . 1 1 20 20 LYS HB3 H 1 1.575 0.025 . 1 . . . . 20 LYS QB . 16605 1 143 . 1 1 20 20 LYS HD2 H 1 1.416 0.025 . 1 . . . . 20 LYS QD . 16605 1 144 . 1 1 20 20 LYS HD3 H 1 1.416 0.025 . 1 . . . . 20 LYS QD . 16605 1 145 . 1 1 20 20 LYS HE2 H 1 2.845 0.025 . 1 . . . . 20 LYS QE . 16605 1 146 . 1 1 20 20 LYS HE3 H 1 2.845 0.025 . 1 . . . . 20 LYS QE . 16605 1 147 . 1 1 20 20 LYS HG2 H 1 1.269 0.025 . 1 . . . . 20 LYS HG2 . 16605 1 148 . 1 1 20 20 LYS HG3 H 1 1.107 0.025 . 1 . . . . 20 LYS HG3 . 16605 1 149 . 1 1 21 21 CYS H H 1 8.879 0.025 . 1 . . . . 21 CYS H . 16605 1 150 . 1 1 21 21 CYS HA H 1 4.836 0.025 . 1 . . . . 21 CYS HA . 16605 1 151 . 1 1 21 21 CYS HB2 H 1 2.854 0.025 . 1 . . . . 21 CYS HB2 . 16605 1 152 . 1 1 21 21 CYS HB3 H 1 2.600 0.025 . 1 . . . . 21 CYS HB3 . 16605 1 153 . 1 1 22 22 LYS H H 1 8.242 0.025 . 1 . . . . 22 LYS H . 16605 1 154 . 1 1 22 22 LYS HA H 1 4.848 0.025 . 1 . . . . 22 LYS HA . 16605 1 155 . 1 1 22 22 LYS HB2 H 1 1.872 0.025 . 1 . . . . 22 LYS HB2 . 16605 1 156 . 1 1 22 22 LYS HB3 H 1 1.514 0.025 . 1 . . . . 22 LYS HB3 . 16605 1 157 . 1 1 22 22 LYS HD2 H 1 1.609 0.025 . 1 . . . . 22 LYS QD . 16605 1 158 . 1 1 22 22 LYS HD3 H 1 1.609 0.025 . 1 . . . . 22 LYS QD . 16605 1 159 . 1 1 22 22 LYS HE2 H 1 2.883 0.025 . 1 . . . . 22 LYS QE . 16605 1 160 . 1 1 22 22 LYS HE3 H 1 2.883 0.025 . 1 . . . . 22 LYS QE . 16605 1 161 . 1 1 22 22 LYS HG2 H 1 1.250 0.025 . 1 . . . . 22 LYS QG . 16605 1 162 . 1 1 22 22 LYS HG3 H 1 1.250 0.025 . 1 . . . . 22 LYS QG . 16605 1 163 . 1 1 22 22 LYS HZ1 H 1 7.584 0.025 . 1 . . . . 22 LYS QZ . 16605 1 164 . 1 1 22 22 LYS HZ2 H 1 7.584 0.025 . 1 . . . . 22 LYS QZ . 16605 1 165 . 1 1 22 22 LYS HZ3 H 1 7.584 0.025 . 1 . . . . 22 LYS QZ . 16605 1 166 . 1 1 23 23 ARG H H 1 9.000 0.025 . 1 . . . . 23 ARG H . 16605 1 167 . 1 1 23 23 ARG HA H 1 4.516 0.025 . 1 . . . . 23 ARG HA . 16605 1 168 . 1 1 23 23 ARG HB2 H 1 1.629 0.025 . 1 . . . . 23 ARG HB2 . 16605 1 169 . 1 1 23 23 ARG HB3 H 1 1.490 0.025 . 1 . . . . 23 ARG HB3 . 16605 1 170 . 1 1 23 23 ARG HD2 H 1 3.067 0.025 . 1 . . . . 23 ARG QD . 16605 1 171 . 1 1 23 23 ARG HD3 H 1 3.067 0.025 . 1 . . . . 23 ARG QD . 16605 1 172 . 1 1 23 23 ARG HE H 1 6.736 0.025 . 1 . . . . 23 ARG HE . 16605 1 173 . 1 1 23 23 ARG HG2 H 1 1.380 0.025 . 1 . . . . 23 ARG QG . 16605 1 174 . 1 1 23 23 ARG HG3 H 1 1.380 0.025 . 1 . . . . 23 ARG QG . 16605 1 175 . 1 1 24 24 ARG H H 1 8.786 0.025 . 1 . . . . 24 ARG H . 16605 1 176 . 1 1 24 24 ARG HA H 1 4.384 0.025 . 1 . . . . 24 ARG HA . 16605 1 177 . 1 1 24 24 ARG HB2 H 1 1.669 0.025 . 1 . . . . 24 ARG HB2 . 16605 1 178 . 1 1 24 24 ARG HB3 H 1 1.635 0.025 . 1 . . . . 24 ARG HB3 . 16605 1 179 . 1 1 24 24 ARG HD2 H 1 3.040 0.025 . 1 . . . . 24 ARG QD . 16605 1 180 . 1 1 24 24 ARG HD3 H 1 3.040 0.025 . 1 . . . . 24 ARG QD . 16605 1 181 . 1 1 24 24 ARG HE H 1 7.126 0.025 . 1 . . . . 24 ARG HE . 16605 1 182 . 1 1 24 24 ARG HG2 H 1 1.446 0.025 . 1 . . . . 24 ARG QG . 16605 1 183 . 1 1 24 24 ARG HG3 H 1 1.446 0.025 . 1 . . . . 24 ARG QG . 16605 1 184 . 1 1 25 25 GLY H H 1 8.649 0.025 . 1 . . . . 25 GLY H . 16605 1 185 . 1 1 25 25 GLY HA2 H 1 3.998 0.025 . 1 . . . . 25 GLY HA2 . 16605 1 186 . 1 1 25 25 GLY HA3 H 1 3.702 0.025 . 1 . . . . 25 GLY HA3 . 16605 1 187 . 1 1 26 26 THR H H 1 8.424 0.025 . 1 . . . . 26 THR H . 16605 1 188 . 1 1 26 26 THR HA H 1 4.060 0.025 . 1 . . . . 26 THR HA . 16605 1 189 . 1 1 26 26 THR HB H 1 4.302 0.025 . 1 . . . . 26 THR HB . 16605 1 190 . 1 1 26 26 THR HG21 H 1 1.094 0.025 . 1 . . . . 26 THR QG2 . 16605 1 191 . 1 1 26 26 THR HG22 H 1 1.094 0.025 . 1 . . . . 26 THR QG2 . 16605 1 192 . 1 1 26 26 THR HG23 H 1 1.094 0.025 . 1 . . . . 26 THR QG2 . 16605 1 193 . 1 1 27 27 ASN H H 1 7.895 0.025 . 1 . . . . 27 ASN H . 16605 1 194 . 1 1 27 27 ASN HA H 1 4.557 0.025 . 1 . . . . 27 ASN HA . 16605 1 195 . 1 1 27 27 ASN HB2 H 1 2.840 0.025 . 1 . . . . 27 ASN QB . 16605 1 196 . 1 1 27 27 ASN HB3 H 1 2.840 0.025 . 1 . . . . 27 ASN QB . 16605 1 197 . 1 1 27 27 ASN HD21 H 1 7.592 0.025 . 1 . . . . 27 ASN HD21 . 16605 1 198 . 1 1 27 27 ASN HD22 H 1 6.882 0.025 . 1 . . . . 27 ASN HD22 . 16605 1 199 . 1 1 28 28 ILE H H 1 8.241 0.025 . 1 . . . . 28 ILE H . 16605 1 200 . 1 1 28 28 ILE HA H 1 3.866 0.025 . 1 . . . . 28 ILE HA . 16605 1 201 . 1 1 28 28 ILE HB H 1 1.866 0.025 . 1 . . . . 28 ILE HB . 16605 1 202 . 1 1 28 28 ILE HD11 H 1 0.760 0.025 . 1 . . . . 28 ILE QD1 . 16605 1 203 . 1 1 28 28 ILE HD12 H 1 0.760 0.025 . 1 . . . . 28 ILE QD1 . 16605 1 204 . 1 1 28 28 ILE HD13 H 1 0.760 0.025 . 1 . . . . 28 ILE QD1 . 16605 1 205 . 1 1 28 28 ILE HG12 H 1 1.259 0.025 . 1 . . . . 28 ILE HG12 . 16605 1 206 . 1 1 28 28 ILE HG13 H 1 1.182 0.025 . 1 . . . . 28 ILE HG13 . 16605 1 207 . 1 1 28 28 ILE HG21 H 1 0.838 0.025 . 1 . . . . 28 ILE QG2 . 16605 1 208 . 1 1 28 28 ILE HG22 H 1 0.838 0.025 . 1 . . . . 28 ILE QG2 . 16605 1 209 . 1 1 28 28 ILE HG23 H 1 0.838 0.025 . 1 . . . . 28 ILE QG2 . 16605 1 210 . 1 1 29 29 GLU H H 1 8.105 0.025 . 1 . . . . 29 GLU H . 16605 1 211 . 1 1 29 29 GLU HA H 1 4.083 0.025 . 1 . . . . 29 GLU HA . 16605 1 212 . 1 1 29 29 GLU HB2 H 1 1.854 0.025 . 1 . . . . 29 GLU HB2 . 16605 1 213 . 1 1 29 29 GLU HB3 H 1 1.729 0.025 . 1 . . . . 29 GLU HB3 . 16605 1 214 . 1 1 29 29 GLU HG2 H 1 2.327 0.025 . 1 . . . . 29 GLU HG2 . 16605 1 215 . 1 1 29 29 GLU HG3 H 1 2.295 0.025 . 1 . . . . 29 GLU HG3 . 16605 1 216 . 1 1 30 30 LYS H H 1 8.389 0.025 . 1 . . . . 30 LYS H . 16605 1 217 . 1 1 30 30 LYS HA H 1 3.923 0.025 . 1 . . . . 30 LYS HA . 16605 1 218 . 1 1 30 30 LYS HB2 H 1 1.736 0.025 . 1 . . . . 30 LYS QB . 16605 1 219 . 1 1 30 30 LYS HB3 H 1 1.736 0.025 . 1 . . . . 30 LYS QB . 16605 1 220 . 1 1 30 30 LYS HD2 H 1 1.467 0.025 . 1 . . . . 30 LYS QD . 16605 1 221 . 1 1 30 30 LYS HD3 H 1 1.467 0.025 . 1 . . . . 30 LYS QD . 16605 1 222 . 1 1 30 30 LYS HE2 H 1 2.771 0.025 . 1 . . . . 30 LYS QE . 16605 1 223 . 1 1 30 30 LYS HE3 H 1 2.771 0.025 . 1 . . . . 30 LYS QE . 16605 1 224 . 1 1 30 30 LYS HG2 H 1 0.964 0.025 . 1 . . . . 30 LYS QG . 16605 1 225 . 1 1 30 30 LYS HG3 H 1 0.964 0.025 . 1 . . . . 30 LYS QG . 16605 1 226 . 1 1 30 30 LYS HZ1 H 1 7.389 0.025 . 1 . . . . 30 LYS QZ . 16605 1 227 . 1 1 30 30 LYS HZ2 H 1 7.389 0.025 . 1 . . . . 30 LYS QZ . 16605 1 228 . 1 1 30 30 LYS HZ3 H 1 7.389 0.025 . 1 . . . . 30 LYS QZ . 16605 1 229 . 1 1 31 31 ARG H H 1 7.588 0.025 . 1 . . . . 31 ARG H . 16605 1 230 . 1 1 31 31 ARG HA H 1 5.138 0.025 . 1 . . . . 31 ARG HA . 16605 1 231 . 1 1 31 31 ARG HB2 H 1 1.045 0.025 . 1 . . . . 31 ARG HB2 . 16605 1 232 . 1 1 31 31 ARG HB3 H 1 1.122 0.025 . 1 . . . . 31 ARG HB3 . 16605 1 233 . 1 1 31 31 ARG HD2 H 1 3.013 0.025 . 1 . . . . 31 ARG HD2 . 16605 1 234 . 1 1 31 31 ARG HD3 H 1 2.762 0.025 . 1 . . . . 31 ARG HD3 . 16605 1 235 . 1 1 31 31 ARG HE H 1 7.199 0.025 . 1 . . . . 31 ARG HE . 16605 1 236 . 1 1 31 31 ARG HG2 H 1 1.230 0.025 . 1 . . . . 31 ARG QG . 16605 1 237 . 1 1 31 31 ARG HG3 H 1 1.230 0.025 . 1 . . . . 31 ARG QG . 16605 1 238 . 1 1 31 31 ARG HH22 H 1 6.427 0.025 . 1 . . . . 31 ARG QH2 . 16605 1 239 . 1 1 31 31 ARG HH21 H 1 6.427 0.025 . 1 . . . . 31 ARG QH2 . 16605 1 240 . 1 1 31 31 ARG HH11 H 1 6.904 0.025 . 1 . . . . 31 ARG QH2 . 16605 1 241 . 1 1 31 31 ARG HH12 H 1 6.904 0.025 . 1 . . . . 31 ARG QH2 . 16605 1 242 . 1 1 32 32 CYS H H 1 8.518 0.025 . 1 . . . . 32 CYS H . 16605 1 243 . 1 1 32 32 CYS HA H 1 5.165 0.025 . 1 . . . . 32 CYS HA . 16605 1 244 . 1 1 32 32 CYS HB2 H 1 3.258 0.025 . 1 . . . . 32 CYS HB2 . 16605 1 245 . 1 1 32 32 CYS HB3 H 1 2.798 0.025 . 1 . . . . 32 CYS HB3 . 16605 1 246 . 1 1 33 33 ARG H H 1 9.049 0.025 . 1 . . . . 33 ARG H . 16605 1 247 . 1 1 33 33 ARG HA H 1 4.330 0.025 . 1 . . . . 33 ARG HA . 16605 1 248 . 1 1 33 33 ARG HB2 H 1 2.002 0.025 . 1 . . . . 33 ARG HB2 . 16605 1 249 . 1 1 33 33 ARG HB3 H 1 1.753 0.025 . 1 . . . . 33 ARG HB3 . 16605 1 250 . 1 1 33 33 ARG HD2 H 1 2.987 0.025 . 1 . . . . 33 ARG HD2 . 16605 1 251 . 1 1 33 33 ARG HD3 H 1 2.836 0.025 . 1 . . . . 33 ARG HD3 . 16605 1 252 . 1 1 33 33 ARG HE H 1 6.629 0.025 . 1 . . . . 33 ARG HE . 16605 1 253 . 1 1 33 33 ARG HG2 H 1 1.552 0.025 . 1 . . . . 33 ARG HG2 . 16605 1 254 . 1 1 33 33 ARG HG3 H 1 1.617 0.025 . 1 . . . . 33 ARG HG3 . 16605 1 stop_ save_