################################### # 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 15731 _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 . _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' . . . 15731 1 2 '2D 1H-1H NOESY' . . . 15731 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 LEU H H 1 7.874 . . 1 . . . . 37 LEU H . 15731 1 2 . 1 1 1 1 LEU HA H 1 4.371 . . 1 . . . . 37 LEU HA . 15731 1 3 . 1 1 1 1 LEU HB2 H 1 1.753 . . 2 . . . . 37 LEU HB2 . 15731 1 4 . 1 1 1 1 LEU HB3 H 1 1.597 . . 2 . . . . 37 LEU HB3 . 15731 1 5 . 1 1 1 1 LEU HD11 H 1 0.839 . . 2 . . . . 37 LEU HD1 . 15731 1 6 . 1 1 1 1 LEU HD12 H 1 0.839 . . 2 . . . . 37 LEU HD1 . 15731 1 7 . 1 1 1 1 LEU HD13 H 1 0.839 . . 2 . . . . 37 LEU HD1 . 15731 1 8 . 1 1 1 1 LEU HD21 H 1 0.780 . . 2 . . . . 37 LEU HD2 . 15731 1 9 . 1 1 1 1 LEU HD22 H 1 0.780 . . 2 . . . . 37 LEU HD2 . 15731 1 10 . 1 1 1 1 LEU HD23 H 1 0.780 . . 2 . . . . 37 LEU HD2 . 15731 1 11 . 1 1 1 1 LEU HG H 1 1.484 . . 1 . . . . 37 LEU HG . 15731 1 12 . 1 1 2 2 THR H H 1 7.765 . . 1 . . . . 38 THR H . 15731 1 13 . 1 1 2 2 THR HA H 1 4.400 . . 1 . . . . 38 THR HA . 15731 1 14 . 1 1 2 2 THR HB H 1 4.192 . . 1 . . . . 38 THR HB . 15731 1 15 . 1 1 2 2 THR HG21 H 1 1.156 . . 1 . . . . 38 THR HG2 . 15731 1 16 . 1 1 2 2 THR HG22 H 1 1.156 . . 1 . . . . 38 THR HG2 . 15731 1 17 . 1 1 2 2 THR HG23 H 1 1.156 . . 1 . . . . 38 THR HG2 . 15731 1 18 . 1 1 3 3 GLY H H 1 8.375 . . 1 . . . . 39 GLY H . 15731 1 19 . 1 1 3 3 GLY HA2 H 1 3.928 . . 2 . . . . 39 GLY HA2 . 15731 1 20 . 1 1 3 3 GLY HA3 H 1 3.849 . . 2 . . . . 39 GLY HA3 . 15731 1 21 . 1 1 4 4 CYS H H 1 7.854 . . 1 . . . . 40 CYS H . 15731 1 22 . 1 1 4 4 CYS HA H 1 3.860 . . 1 . . . . 40 CYS HA . 15731 1 23 . 1 1 4 4 CYS HB2 H 1 2.895 . . 2 . . . . 40 CYS HB2 . 15731 1 24 . 1 1 4 4 CYS HB3 H 1 2.577 . . 2 . . . . 40 CYS HB3 . 15731 1 25 . 1 1 5 5 LYS H H 1 8.333 . . 1 . . . . 41 LYS H . 15731 1 26 . 1 1 5 5 LYS HA H 1 4.325 . . 1 . . . . 41 LYS HA . 15731 1 27 . 1 1 5 5 LYS HB2 H 1 1.751 . . 2 . . . . 41 LYS HB2 . 15731 1 28 . 1 1 5 5 LYS HB3 H 1 1.751 . . 2 . . . . 41 LYS HB3 . 15731 1 29 . 1 1 5 5 LYS HG2 H 1 1.476 . . 2 . . . . 41 LYS HG2 . 15731 1 30 . 1 1 5 5 LYS HG3 H 1 1.414 . . 2 . . . . 41 LYS HG3 . 15731 1 31 . 1 1 6 6 GLY H H 1 7.951 . . 1 . . . . 42 GLY H . 15731 1 32 . 1 1 6 6 GLY HA2 H 1 3.822 . . 2 . . . . 42 GLY HA2 . 15731 1 33 . 1 1 6 6 GLY HA3 H 1 3.655 . . 2 . . . . 42 GLY HA3 . 15731 1 34 . 1 1 7 7 LYS H H 1 7.203 . . 1 . . . . 43 LYS H . 15731 1 35 . 1 1 7 7 LYS HA H 1 4.409 . . 1 . . . . 43 LYS HA . 15731 1 36 . 1 1 7 7 LYS HB2 H 1 1.991 . . 2 . . . . 43 LYS HB2 . 15731 1 37 . 1 1 7 7 LYS HB3 H 1 1.519 . . 2 . . . . 43 LYS HB3 . 15731 1 38 . 1 1 7 7 LYS HG2 H 1 1.335 . . 2 . . . . 43 LYS HG2 . 15731 1 39 . 1 1 7 7 LYS HG3 H 1 1.335 . . 2 . . . . 43 LYS HG3 . 15731 1 40 . 1 1 8 8 GLY H H 1 7.781 . . 1 . . . . 44 GLY H . 15731 1 41 . 1 1 8 8 GLY HA2 H 1 4.154 . . 2 . . . . 44 GLY HA2 . 15731 1 42 . 1 1 8 8 GLY HA3 H 1 3.775 . . 2 . . . . 44 GLY HA3 . 15731 1 43 . 1 1 9 9 GLY H H 1 7.961 . . 1 . . . . 45 GLY H . 15731 1 44 . 1 1 9 9 GLY HA2 H 1 4.685 . . 2 . . . . 45 GLY HA2 . 15731 1 45 . 1 1 9 9 GLY HA3 H 1 3.187 . . 2 . . . . 45 GLY HA3 . 15731 1 46 . 1 1 10 10 GLU H H 1 8.906 . . 1 . . . . 46 GLU H . 15731 1 47 . 1 1 10 10 GLU HA H 1 4.484 . . 1 . . . . 46 GLU HA . 15731 1 48 . 1 1 10 10 GLU HB2 H 1 1.805 . . 2 . . . . 46 GLU HB2 . 15731 1 49 . 1 1 10 10 GLU HB3 H 1 1.711 . . 2 . . . . 46 GLU HB3 . 15731 1 50 . 1 1 10 10 GLU HG2 H 1 2.145 . . 2 . . . . 46 GLU HG2 . 15731 1 51 . 1 1 10 10 GLU HG3 H 1 2.145 . . 2 . . . . 46 GLU HG3 . 15731 1 52 . 1 1 11 11 CYS H H 1 9.298 . . 1 . . . . 47 CYS H . 15731 1 53 . 1 1 11 11 CYS HA H 1 5.275 . . 1 . . . . 47 CYS HA . 15731 1 54 . 1 1 11 11 CYS HB2 H 1 2.998 . . 2 . . . . 47 CYS HB2 . 15731 1 55 . 1 1 11 11 CYS HB3 H 1 2.741 . . 2 . . . . 47 CYS HB3 . 15731 1 56 . 1 1 12 12 ASN H H 1 9.673 . . 1 . . . . 48 ASN H . 15731 1 57 . 1 1 12 12 ASN HA H 1 5.190 . . 1 . . . . 48 ASN HA . 15731 1 58 . 1 1 12 12 ASN HB2 H 1 2.501 . . 2 . . . . 48 ASN HB2 . 15731 1 59 . 1 1 12 12 ASN HB3 H 1 2.337 . . 2 . . . . 48 ASN HB3 . 15731 1 60 . 1 1 12 12 ASN HD21 H 1 7.432 . . 2 . . . . 48 ASN HD21 . 15731 1 61 . 1 1 12 12 ASN HD22 H 1 6.671 . . 2 . . . . 48 ASN HD22 . 15731 1 62 . 1 1 13 13 PRO HA H 1 4.628 . . 1 . . . . 49 PRO HA . 15731 1 63 . 1 1 13 13 PRO HB2 H 1 2.421 . . 2 . . . . 49 PRO HB2 . 15731 1 64 . 1 1 13 13 PRO HB3 H 1 2.421 . . 2 . . . . 49 PRO HB3 . 15731 1 65 . 1 1 13 13 PRO HD2 H 1 3.845 . . 2 . . . . 49 PRO HD2 . 15731 1 66 . 1 1 13 13 PRO HD3 H 1 3.523 . . 2 . . . . 49 PRO HD3 . 15731 1 67 . 1 1 13 13 PRO HG2 H 1 2.038 . . 2 . . . . 49 PRO HG2 . 15731 1 68 . 1 1 13 13 PRO HG3 H 1 2.038 . . 2 . . . . 49 PRO HG3 . 15731 1 69 . 1 1 14 14 LEU H H 1 7.345 . . 1 . . . . 50 LEU H . 15731 1 70 . 1 1 14 14 LEU HA H 1 3.558 . . 1 . . . . 50 LEU HA . 15731 1 71 . 1 1 14 14 LEU HB2 H 1 1.519 . . 2 . . . . 50 LEU HB2 . 15731 1 72 . 1 1 14 14 LEU HB3 H 1 1.519 . . 2 . . . . 50 LEU HB3 . 15731 1 73 . 1 1 14 14 LEU HD11 H 1 0.804 . . 2 . . . . 50 LEU HD1 . 15731 1 74 . 1 1 14 14 LEU HD12 H 1 0.804 . . 2 . . . . 50 LEU HD1 . 15731 1 75 . 1 1 14 14 LEU HD13 H 1 0.804 . . 2 . . . . 50 LEU HD1 . 15731 1 76 . 1 1 14 14 LEU HD21 H 1 0.664 . . 2 . . . . 50 LEU HD2 . 15731 1 77 . 1 1 14 14 LEU HD22 H 1 0.664 . . 2 . . . . 50 LEU HD2 . 15731 1 78 . 1 1 14 14 LEU HD23 H 1 0.664 . . 2 . . . . 50 LEU HD2 . 15731 1 79 . 1 1 14 14 LEU HG H 1 1.400 . . 1 . . . . 50 LEU HG . 15731 1 80 . 1 1 15 15 ASP H H 1 8.066 . . 1 . . . . 51 ASP H . 15731 1 81 . 1 1 15 15 ASP HA H 1 4.342 . . 1 . . . . 51 ASP HA . 15731 1 82 . 1 1 15 15 ASP HB2 H 1 2.810 . . 2 . . . . 51 ASP HB2 . 15731 1 83 . 1 1 15 15 ASP HB3 H 1 2.572 . . 2 . . . . 51 ASP HB3 . 15731 1 84 . 1 1 16 16 ARG H H 1 7.495 . . 1 . . . . 52 ARG H . 15731 1 85 . 1 1 16 16 ARG HA H 1 4.121 . . 1 . . . . 52 ARG HA . 15731 1 86 . 1 1 16 16 ARG HB2 H 1 1.771 . . 2 . . . . 52 ARG HB2 . 15731 1 87 . 1 1 16 16 ARG HB3 H 1 1.674 . . 2 . . . . 52 ARG HB3 . 15731 1 88 . 1 1 16 16 ARG HD2 H 1 3.182 . . 2 . . . . 52 ARG HD2 . 15731 1 89 . 1 1 16 16 ARG HD3 H 1 3.223 . . 2 . . . . 52 ARG HD3 . 15731 1 90 . 1 1 16 16 ARG HE H 1 7.233 . . 1 . . . . 52 ARG HE . 15731 1 91 . 1 1 16 16 ARG HG2 H 1 1.555 . . 2 . . . . 52 ARG HG2 . 15731 1 92 . 1 1 16 16 ARG HG3 H 1 1.555 . . 2 . . . . 52 ARG HG3 . 15731 1 93 . 1 1 17 17 GLN H H 1 8.863 . . 1 . . . . 53 GLN H . 15731 1 94 . 1 1 17 17 GLN HA H 1 4.397 . . 1 . . . . 53 GLN HA . 15731 1 95 . 1 1 17 17 GLN HB2 H 1 1.977 . . 2 . . . . 53 GLN HB2 . 15731 1 96 . 1 1 17 17 GLN HB3 H 1 1.977 . . 2 . . . . 53 GLN HB3 . 15731 1 97 . 1 1 17 17 GLN HG2 H 1 2.332 . . 2 . . . . 53 GLN HG2 . 15731 1 98 . 1 1 17 17 GLN HG3 H 1 2.271 . . 2 . . . . 53 GLN HG3 . 15731 1 99 . 1 1 18 18 CYS H H 1 8.008 . . 1 . . . . 54 CYS H . 15731 1 100 . 1 1 18 18 CYS HA H 1 4.689 . . 1 . . . . 54 CYS HA . 15731 1 101 . 1 1 18 18 CYS HB2 H 1 3.122 . . 2 . . . . 54 CYS HB2 . 15731 1 102 . 1 1 18 18 CYS HB3 H 1 2.766 . . 2 . . . . 54 CYS HB3 . 15731 1 103 . 1 1 19 19 LYS H H 1 8.590 . . 1 . . . . 55 LYS H . 15731 1 104 . 1 1 19 19 LYS HA H 1 4.223 . . 1 . . . . 55 LYS HA . 15731 1 105 . 1 1 19 19 LYS HB2 H 1 1.745 . . 2 . . . . 55 LYS HB2 . 15731 1 106 . 1 1 19 19 LYS HB3 H 1 1.582 . . 2 . . . . 55 LYS HB3 . 15731 1 107 . 1 1 19 19 LYS HG2 H 1 1.275 . . 2 . . . . 55 LYS HG2 . 15731 1 108 . 1 1 19 19 LYS HG3 H 1 1.144 . . 2 . . . . 55 LYS HG3 . 15731 1 109 . 1 1 20 20 GLU H H 1 8.429 . . 1 . . . . 56 GLU H . 15731 1 110 . 1 1 20 20 GLU HA H 1 4.649 . . 1 . . . . 56 GLU HA . 15731 1 111 . 1 1 20 20 GLU HB2 H 1 1.794 . . 2 . . . . 56 GLU HB2 . 15731 1 112 . 1 1 20 20 GLU HG2 H 1 2.129 . . 2 . . . . 56 GLU HG2 . 15731 1 113 . 1 1 21 21 LEU H H 1 8.576 . . 1 . . . . 57 LEU H . 15731 1 114 . 1 1 21 21 LEU HA H 1 4.507 . . 1 . . . . 57 LEU HA . 15731 1 115 . 1 1 21 21 LEU HB2 H 1 1.336 . . 2 . . . . 57 LEU HB2 . 15731 1 116 . 1 1 21 21 LEU HB3 H 1 1.128 . . 2 . . . . 57 LEU HB3 . 15731 1 117 . 1 1 21 21 LEU HD21 H 1 0.715 . . 2 . . . . 57 LEU HD2 . 15731 1 118 . 1 1 21 21 LEU HD22 H 1 0.715 . . 2 . . . . 57 LEU HD2 . 15731 1 119 . 1 1 21 21 LEU HD23 H 1 0.715 . . 2 . . . . 57 LEU HD2 . 15731 1 120 . 1 1 21 21 LEU HG H 1 1.424 . . 1 . . . . 57 LEU HG . 15731 1 121 . 1 1 22 22 GLN H H 1 8.047 . . 1 . . . . 58 GLN H . 15731 1 122 . 1 1 22 22 GLN HA H 1 3.886 . . 1 . . . . 58 GLN HA . 15731 1 123 . 1 1 22 22 GLN HB2 H 1 1.891 . . 2 . . . . 58 GLN HB2 . 15731 1 124 . 1 1 22 22 GLN HB3 H 1 1.788 . . 2 . . . . 58 GLN HB3 . 15731 1 125 . 1 1 22 22 GLN HE21 H 1 6.748 . . 2 . . . . 58 GLN HE21 . 15731 1 126 . 1 1 22 22 GLN HE22 H 1 7.495 . . 2 . . . . 58 GLN HE22 . 15731 1 127 . 1 1 22 22 GLN HG2 H 1 2.312 . . 2 . . . . 58 GLN HG2 . 15731 1 128 . 1 1 22 22 GLN HG3 H 1 2.006 . . 2 . . . . 58 GLN HG3 . 15731 1 129 . 1 1 23 23 ALA H H 1 8.842 . . 1 . . . . 59 ALA H . 15731 1 130 . 1 1 23 23 ALA HA H 1 4.104 . . 1 . . . . 59 ALA HA . 15731 1 131 . 1 1 23 23 ALA HB1 H 1 1.335 . . 1 . . . . 59 ALA HB . 15731 1 132 . 1 1 23 23 ALA HB2 H 1 1.335 . . 1 . . . . 59 ALA HB . 15731 1 133 . 1 1 23 23 ALA HB3 H 1 1.335 . . 1 . . . . 59 ALA HB . 15731 1 134 . 1 1 24 24 GLU H H 1 7.557 . . 1 . . . . 60 GLU H . 15731 1 135 . 1 1 24 24 GLU HA H 1 4.883 . . 1 . . . . 60 GLU HA . 15731 1 136 . 1 1 24 24 GLU HB2 H 1 1.710 . . 2 . . . . 60 GLU HB2 . 15731 1 137 . 1 1 24 24 GLU HB3 H 1 2.039 . . 2 . . . . 60 GLU HB3 . 15731 1 138 . 1 1 25 25 SER H H 1 7.902 . . 1 . . . . 61 SER H . 15731 1 139 . 1 1 25 25 SER HA H 1 4.043 . . 1 . . . . 61 SER HA . 15731 1 140 . 1 1 26 26 ALA H H 1 8.866 . . 1 . . . . 62 ALA H . 15731 1 141 . 1 1 26 26 ALA HA H 1 4.123 . . 1 . . . . 62 ALA HA . 15731 1 142 . 1 1 26 26 ALA HB1 H 1 1.351 . . 1 . . . . 62 ALA HB . 15731 1 143 . 1 1 26 26 ALA HB2 H 1 1.351 . . 1 . . . . 62 ALA HB . 15731 1 144 . 1 1 26 26 ALA HB3 H 1 1.351 . . 1 . . . . 62 ALA HB . 15731 1 145 . 1 1 27 27 SER H H 1 7.726 . . 1 . . . . 63 SER H . 15731 1 146 . 1 1 27 27 SER HA H 1 4.250 . . 1 . . . . 63 SER HA . 15731 1 147 . 1 1 27 27 SER HB2 H 1 4.054 . . 2 . . . . 63 SER HB2 . 15731 1 148 . 1 1 27 27 SER HB3 H 1 4.111 . . 2 . . . . 63 SER HB3 . 15731 1 149 . 1 1 28 28 CYS H H 1 7.655 . . 1 . . . . 64 CYS H . 15731 1 150 . 1 1 28 28 CYS HA H 1 4.628 . . 1 . . . . 64 CYS HA . 15731 1 151 . 1 1 28 28 CYS HB2 H 1 2.966 . . 2 . . . . 64 CYS HB2 . 15731 1 152 . 1 1 28 28 CYS HB3 H 1 2.777 . . 2 . . . . 64 CYS HB3 . 15731 1 153 . 1 1 29 29 GLY H H 1 7.414 . . 1 . . . . 65 GLY H . 15731 1 154 . 1 1 29 29 GLY HA2 H 1 4.137 . . 2 . . . . 65 GLY HA2 . 15731 1 155 . 1 1 29 29 GLY HA3 H 1 3.771 . . 2 . . . . 65 GLY HA3 . 15731 1 156 . 1 1 30 30 LYS H H 1 8.171 . . 1 . . . . 66 LYS H . 15731 1 157 . 1 1 30 30 LYS HA H 1 3.992 . . 1 . . . . 66 LYS HA . 15731 1 158 . 1 1 30 30 LYS HB2 H 1 1.719 . . 2 . . . . 66 LYS HB2 . 15731 1 159 . 1 1 30 30 LYS HB3 H 1 1.670 . . 2 . . . . 66 LYS HB3 . 15731 1 160 . 1 1 30 30 LYS HD2 H 1 1.616 . . 2 . . . . 66 LYS HD2 . 15731 1 161 . 1 1 30 30 LYS HD3 H 1 1.616 . . 2 . . . . 66 LYS HD3 . 15731 1 162 . 1 1 30 30 LYS HE2 H 1 2.937 . . 2 . . . . 66 LYS HE2 . 15731 1 163 . 1 1 30 30 LYS HE3 H 1 2.937 . . 2 . . . . 66 LYS HE3 . 15731 1 164 . 1 1 30 30 LYS HG2 H 1 1.326 . . 2 . . . . 66 LYS HG2 . 15731 1 165 . 1 1 30 30 LYS HG3 H 1 1.413 . . 2 . . . . 66 LYS HG3 . 15731 1 166 . 1 1 31 31 GLY H H 1 9.212 . . 1 . . . . 67 GLY H . 15731 1 167 . 1 1 31 31 GLY HA2 H 1 4.117 . . 2 . . . . 67 GLY HA2 . 15731 1 168 . 1 1 31 31 GLY HA3 H 1 3.607 . . 2 . . . . 67 GLY HA3 . 15731 1 169 . 1 1 32 32 GLN H H 1 7.730 . . 1 . . . . 68 GLN H . 15731 1 170 . 1 1 32 32 GLN HA H 1 5.067 . . 1 . . . . 68 GLN HA . 15731 1 171 . 1 1 32 32 GLN HB2 H 1 1.812 . . 2 . . . . 68 GLN HB2 . 15731 1 172 . 1 1 32 32 GLN HB3 H 1 1.634 . . 2 . . . . 68 GLN HB3 . 15731 1 173 . 1 1 32 32 GLN HE21 H 1 7.164 . . 2 . . . . 68 GLN HE21 . 15731 1 174 . 1 1 32 32 GLN HE22 H 1 6.373 . . 2 . . . . 68 GLN HE22 . 15731 1 175 . 1 1 32 32 GLN HG2 H 1 2.060 . . 2 . . . . 68 GLN HG2 . 15731 1 176 . 1 1 32 32 GLN HG3 H 1 1.770 . . 2 . . . . 68 GLN HG3 . 15731 1 177 . 1 1 33 33 LYS H H 1 9.347 . . 1 . . . . 69 LYS H . 15731 1 178 . 1 1 33 33 LYS HA H 1 4.584 . . 1 . . . . 69 LYS HA . 15731 1 179 . 1 1 33 33 LYS HD2 H 1 1.313 . . 2 . . . . 69 LYS HD2 . 15731 1 180 . 1 1 33 33 LYS HD3 H 1 1.313 . . 2 . . . . 69 LYS HD3 . 15731 1 181 . 1 1 33 33 LYS HE2 H 1 3.044 . . 2 . . . . 69 LYS HE2 . 15731 1 182 . 1 1 33 33 LYS HE3 H 1 2.811 . . 2 . . . . 69 LYS HE3 . 15731 1 183 . 1 1 33 33 LYS HG2 H 1 0.862 . . 2 . . . . 69 LYS HG2 . 15731 1 184 . 1 1 33 33 LYS HG3 H 1 1.028 . . 2 . . . . 69 LYS HG3 . 15731 1 185 . 1 1 33 33 LYS HZ1 H 1 7.349 . . 3 . . . . 69 LYS HZ1 . 15731 1 186 . 1 1 33 33 LYS HZ2 H 1 7.349 . . 3 . . . . 69 LYS HZ2 . 15731 1 187 . 1 1 33 33 LYS HZ3 H 1 7.349 . . 3 . . . . 69 LYS HZ3 . 15731 1 188 . 1 1 34 34 CYS H H 1 9.016 . . 1 . . . . 70 CYS H . 15731 1 189 . 1 1 34 34 CYS HA H 1 4.830 . . 1 . . . . 70 CYS HA . 15731 1 190 . 1 1 34 34 CYS HB2 H 1 3.173 . . 2 . . . . 70 CYS HB2 . 15731 1 191 . 1 1 34 34 CYS HB3 H 1 2.446 . . 2 . . . . 70 CYS HB3 . 15731 1 192 . 1 1 35 35 CYS H H 1 8.741 . . 1 . . . . 71 CYS H . 15731 1 193 . 1 1 35 35 CYS HA H 1 5.030 . . 1 . . . . 71 CYS HA . 15731 1 194 . 1 1 35 35 CYS HB2 H 1 2.692 . . 2 . . . . 71 CYS HB2 . 15731 1 195 . 1 1 35 35 CYS HB3 H 1 2.473 . . 2 . . . . 71 CYS HB3 . 15731 1 196 . 1 1 36 36 VAL H H 1 8.489 . . 1 . . . . 72 VAL H . 15731 1 197 . 1 1 36 36 VAL HA H 1 4.113 . . 1 . . . . 72 VAL HA . 15731 1 198 . 1 1 36 36 VAL HB H 1 1.825 . . 1 . . . . 72 VAL HB . 15731 1 199 . 1 1 36 36 VAL HG11 H 1 0.744 . . 2 . . . . 72 VAL HG1 . 15731 1 200 . 1 1 36 36 VAL HG12 H 1 0.744 . . 2 . . . . 72 VAL HG1 . 15731 1 201 . 1 1 36 36 VAL HG13 H 1 0.744 . . 2 . . . . 72 VAL HG1 . 15731 1 202 . 1 1 37 37 TRP H H 1 8.597 . . 1 . . . . 73 TRP H . 15731 1 203 . 1 1 37 37 TRP HA H 1 4.768 . . 1 . . . . 73 TRP HA . 15731 1 204 . 1 1 37 37 TRP HB2 H 1 3.225 . . 2 . . . . 73 TRP HB2 . 15731 1 205 . 1 1 37 37 TRP HB3 H 1 2.908 . . 2 . . . . 73 TRP HB3 . 15731 1 206 . 1 1 37 37 TRP HD1 H 1 7.075 . . 1 . . . . 73 TRP HD1 . 15731 1 207 . 1 1 37 37 TRP HE1 H 1 9.938 . . 1 . . . . 73 TRP HE1 . 15731 1 208 . 1 1 37 37 TRP HE3 H 1 7.564 . . 1 . . . . 73 TRP HE3 . 15731 1 209 . 1 1 37 37 TRP HH2 H 1 7.046 . . 1 . . . . 73 TRP HH2 . 15731 1 210 . 1 1 37 37 TRP HZ2 H 1 7.249 . . 1 . . . . 73 TRP HZ2 . 15731 1 211 . 1 1 37 37 TRP HZ3 H 1 6.999 . . 1 . . . . 73 TRP HZ3 . 15731 1 212 . 1 1 38 38 LEU H H 1 8.190 . . 1 . . . . 74 LEU H . 15731 1 213 . 1 1 38 38 LEU HA H 1 4.257 . . 1 . . . . 74 LEU HA . 15731 1 214 . 1 1 38 38 LEU HB2 H 1 1.503 . . 2 . . . . 74 LEU HB2 . 15731 1 215 . 1 1 38 38 LEU HB3 H 1 1.451 . . 2 . . . . 74 LEU HB3 . 15731 1 216 . 1 1 38 38 LEU HD11 H 1 0.813 . . 2 . . . . 74 LEU HD1 . 15731 1 217 . 1 1 38 38 LEU HD12 H 1 0.813 . . 2 . . . . 74 LEU HD1 . 15731 1 218 . 1 1 38 38 LEU HD13 H 1 0.813 . . 2 . . . . 74 LEU HD1 . 15731 1 219 . 1 1 38 38 LEU HD21 H 1 0.749 . . 2 . . . . 74 LEU HD2 . 15731 1 220 . 1 1 38 38 LEU HD22 H 1 0.749 . . 2 . . . . 74 LEU HD2 . 15731 1 221 . 1 1 38 38 LEU HD23 H 1 0.749 . . 2 . . . . 74 LEU HD2 . 15731 1 222 . 1 1 39 39 HIS H H 1 7.863 . . 1 . . . . 75 HIS H . 15731 1 223 . 1 1 39 39 HIS HA H 1 4.296 . . 1 . . . . 75 HIS HA . 15731 1 224 . 1 1 39 39 HIS HB2 H 1 3.021 . . 2 . . . . 75 HIS HB2 . 15731 1 225 . 1 1 39 39 HIS HB3 H 1 2.925 . . 2 . . . . 75 HIS HB3 . 15731 1 226 . 1 1 39 39 HIS HD1 H 1 6.992 . . 1 . . . . 75 HIS HD1 . 15731 1 stop_ save_