################################### # 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_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 7290 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_referencing _Assigned_chem_shift_list.Chem_shift_1H_err 0 _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 1H chemical shifts' _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 '1D 1H' 1 $sample_1 isotropic 7290 1 2 '2D 1H,1H COSY' 1 $sample_1 isotropic 7290 1 3 '2D 1H,1H TOCSY' 1 $sample_1 isotropic 7290 1 4 '2D 1H,1H NOESY' 1 $sample_1 isotropic 7290 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 1 $software_1 . . 7290 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 HA H 1 4.047 0 . 1 . . . . 30 LEU HA . 7290 1 2 . 1 1 1 1 LEU HB2 H 1 1.71 0 . 2 . . . . 30 LEU HB2 . 7290 1 3 . 1 1 1 1 LEU HB3 H 1 1.746 0 . 2 . . . . 30 LEU HB3 . 7290 1 4 . 1 1 1 1 LEU HG H 1 1.645 0 . 1 . . . . 30 LEU HG . 7290 1 5 . 1 1 1 1 LEU HD11 H 1 0.897 0 . 2 . . . . 30 LEU HD1 . 7290 1 6 . 1 1 1 1 LEU HD12 H 1 0.897 0 . 2 . . . . 30 LEU HD1 . 7290 1 7 . 1 1 1 1 LEU HD13 H 1 0.897 0 . 2 . . . . 30 LEU HD1 . 7290 1 8 . 1 1 1 1 LEU HD21 H 1 0.972 0 . 2 . . . . 30 LEU HD2 . 7290 1 9 . 1 1 1 1 LEU HD22 H 1 0.972 0 . 2 . . . . 30 LEU HD2 . 7290 1 10 . 1 1 1 1 LEU HD23 H 1 0.972 0 . 2 . . . . 30 LEU HD2 . 7290 1 11 . 1 1 2 2 GLU H H 1 8.591 0 . 1 . . . . 31 GLU H . 7290 1 12 . 1 1 2 2 GLU HA H 1 4.459 0 . 1 . . . . 31 GLU HA . 7290 1 13 . 1 1 2 2 GLU HB2 H 1 2.025 0 . 2 . . . . 31 GLU HB2 . 7290 1 14 . 1 1 2 2 GLU HB3 H 1 2.11 0 . 2 . . . . 31 GLU HB3 . 7290 1 15 . 1 1 2 2 GLU HG2 H 1 2.478 0 . 1 . . . . 31 GLU HG2 . 7290 1 16 . 1 1 2 2 GLU HG3 H 1 2.478 0 . 1 . . . . 31 GLU HG3 . 7290 1 17 . 1 1 3 3 HIS H H 1 8.592 0 . 1 . . . . 32 HIS H . 7290 1 18 . 1 1 3 3 HIS HA H 1 4.766 0 . 1 . . . . 32 HIS HA . 7290 1 19 . 1 1 3 3 HIS HB2 H 1 3.228 0 . 2 . . . . 32 HIS HB2 . 7290 1 20 . 1 1 3 3 HIS HB3 H 1 3.322 0 . 2 . . . . 32 HIS HB3 . 7290 1 21 . 1 1 3 3 HIS HD2 H 1 7.349 0 . 1 . . . . 32 HIS HD2 . 7290 1 22 . 1 1 3 3 HIS HE1 H 1 8.605 0 . 1 . . . . 32 HIS HE1 . 7290 1 23 . 1 1 4 4 ARG H H 1 8.411 0 . 1 . . . . 33 ARG H . 7290 1 24 . 1 1 4 4 ARG HA H 1 4.403 0 . 1 . . . . 33 ARG HA . 7290 1 25 . 1 1 4 4 ARG HB2 H 1 1.818 0 . 2 . . . . 33 ARG HB2 . 7290 1 26 . 1 1 4 4 ARG HB3 H 1 1.904 0 . 2 . . . . 33 ARG HB3 . 7290 1 27 . 1 1 4 4 ARG HG2 H 1 1.69 0 . 1 . . . . 33 ARG HG2 . 7290 1 28 . 1 1 4 4 ARG HG3 H 1 1.69 0 . 1 . . . . 33 ARG HG3 . 7290 1 29 . 1 1 4 4 ARG HD2 H 1 3.241 0 . 1 . . . . 33 ARG HD2 . 7290 1 30 . 1 1 4 4 ARG HD3 H 1 3.241 0 . 1 . . . . 33 ARG HD3 . 7290 1 31 . 1 1 4 4 ARG HE H 1 7.196 0 . 1 . . . . 33 ARG HE . 7290 1 32 . 1 1 4 4 ARG HH11 H 1 6.64 0 . 1 . . . . 33 ARG HH11 . 7290 1 33 . 1 1 4 4 ARG HH12 H 1 6.64 0 . 1 . . . . 33 ARG HH12 . 7290 1 34 . 1 1 4 4 ARG HH21 H 1 6.64 0 . 1 . . . . 33 ARG HH21 . 7290 1 35 . 1 1 4 4 ARG HH22 H 1 6.64 0 . 1 . . . . 33 ARG HH22 . 7290 1 36 . 1 1 5 5 ASN H H 1 8.534 0 . 1 . . . . 34 ASN H . 7290 1 37 . 1 1 5 5 ASN HA H 1 4.825 0 . 1 . . . . 34 ASN HA . 7290 1 38 . 1 1 5 5 ASN HB2 H 1 2.852 0 . 2 . . . . 34 ASN HB2 . 7290 1 39 . 1 1 5 5 ASN HB3 H 1 2.914 0 . 2 . . . . 34 ASN HB3 . 7290 1 40 . 1 1 5 5 ASN HD21 H 1 6.83 0 . 2 . . . . 34 ASN HD21 . 7290 1 41 . 1 1 5 5 ASN HD22 H 1 7.547 0 . 2 . . . . 34 ASN HD22 . 7290 1 42 . 1 1 6 6 SER H H 1 8.314 0 . 1 . . . . 35 SER H . 7290 1 43 . 1 1 6 6 SER HA H 1 4.528 0 . 1 . . . . 35 SER HA . 7290 1 44 . 1 1 6 6 SER HB2 H 1 3.921 0 . 2 . . . . 35 SER HB2 . 7290 1 45 . 1 1 6 6 SER HB3 H 1 4.039 0 . 2 . . . . 35 SER HB3 . 7290 1 46 . 1 1 7 7 THR H H 1 8.142 0 . 1 . . . . 36 THR H . 7290 1 47 . 1 1 7 7 THR HA H 1 4.31 0 . 1 . . . . 36 THR HA . 7290 1 48 . 1 1 7 7 THR HB H 1 4.31 0 . 1 . . . . 36 THR HB . 7290 1 49 . 1 1 7 7 THR HG21 H 1 1.296 0 . 1 . . . . 36 THR HG2 . 7290 1 50 . 1 1 7 7 THR HG22 H 1 1.296 0 . 1 . . . . 36 THR HG2 . 7290 1 51 . 1 1 7 7 THR HG23 H 1 1.296 0 . 1 . . . . 36 THR HG2 . 7290 1 52 . 1 1 8 8 ARG H H 1 8.133 0 . 1 . . . . 37 ARG H . 7290 1 53 . 1 1 8 8 ARG HA H 1 4.321 0 . 1 . . . . 37 ARG HA . 7290 1 54 . 1 1 8 8 ARG HB2 H 1 1.853 0 . 2 . . . . 37 ARG HB2 . 7290 1 55 . 1 1 8 8 ARG HB3 H 1 1.912 0 . 2 . . . . 37 ARG HB3 . 7290 1 56 . 1 1 8 8 ARG HG2 H 1 1.7 0 . 1 . . . . 37 ARG HG2 . 7290 1 57 . 1 1 8 8 ARG HG3 H 1 1.7 0 . 1 . . . . 37 ARG HG3 . 7290 1 58 . 1 1 8 8 ARG HD2 H 1 3.251 0 . 1 . . . . 37 ARG HD2 . 7290 1 59 . 1 1 8 8 ARG HD3 H 1 3.251 0 . 1 . . . . 37 ARG HD3 . 7290 1 60 . 1 1 8 8 ARG HE H 1 7.2 0 . 1 . . . . 37 ARG HE . 7290 1 61 . 1 1 8 8 ARG HH11 H 1 6.695 0 . 1 . . . . 37 ARG HH11 . 7290 1 62 . 1 1 8 8 ARG HH12 H 1 6.695 0 . 1 . . . . 37 ARG HH12 . 7290 1 63 . 1 1 8 8 ARG HH21 H 1 6.695 0 . 1 . . . . 37 ARG HH21 . 7290 1 64 . 1 1 8 8 ARG HH22 H 1 6.695 0 . 1 . . . . 37 ARG HH22 . 7290 1 65 . 1 1 9 9 LEU H H 1 7.925 0 . 1 . . . . 38 LEU H . 7290 1 66 . 1 1 9 9 LEU HA H 1 4.345 0 . 1 . . . . 38 LEU HA . 7290 1 67 . 1 1 9 9 LEU HB2 H 1 1.735 0 . 1 . . . . 38 LEU HB2 . 7290 1 68 . 1 1 9 9 LEU HB3 H 1 1.735 0 . 1 . . . . 38 LEU HB3 . 7290 1 69 . 1 1 9 9 LEU HG H 1 1.676 0 . 1 . . . . 38 LEU HG . 7290 1 70 . 1 1 9 9 LEU HD11 H 1 0.9 0 . 2 . . . . 38 LEU HD1 . 7290 1 71 . 1 1 9 9 LEU HD12 H 1 0.9 0 . 2 . . . . 38 LEU HD1 . 7290 1 72 . 1 1 9 9 LEU HD13 H 1 0.9 0 . 2 . . . . 38 LEU HD1 . 7290 1 73 . 1 1 9 9 LEU HD21 H 1 0.952 0 . 2 . . . . 38 LEU HD2 . 7290 1 74 . 1 1 9 9 LEU HD22 H 1 0.952 0 . 2 . . . . 38 LEU HD2 . 7290 1 75 . 1 1 9 9 LEU HD23 H 1 0.952 0 . 2 . . . . 38 LEU HD2 . 7290 1 76 . 1 1 10 10 MET H H 1 8.04 0 . 1 . . . . 39 MET H . 7290 1 77 . 1 1 10 10 MET HA H 1 4.441 0 . 1 . . . . 39 MET HA . 7290 1 78 . 1 1 10 10 MET HB2 H 1 2.096 0 . 2 . . . . 39 MET HB2 . 7290 1 79 . 1 1 10 10 MET HB3 H 1 2.174 0 . 2 . . . . 39 MET HB3 . 7290 1 80 . 1 1 10 10 MET HG2 H 1 2.6 0 . 2 . . . . 39 MET HG2 . 7290 1 81 . 1 1 10 10 MET HG3 H 1 2.675 0 . 2 . . . . 39 MET HG3 . 7290 1 82 . 1 1 10 10 MET HE1 H 1 2.142 0 . 1 . . . . 39 MET HE . 7290 1 83 . 1 1 10 10 MET HE2 H 1 2.142 0 . 1 . . . . 39 MET HE . 7290 1 84 . 1 1 10 10 MET HE3 H 1 2.142 0 . 1 . . . . 39 MET HE . 7290 1 85 . 1 1 11 11 GLY H H 1 8.25 0 . 1 . . . . 40 GLY H . 7290 1 86 . 1 1 11 11 GLY HA2 H 1 3.956 0 . 1 . . . . 40 GLY HA2 . 7290 1 87 . 1 1 11 11 GLY HA3 H 1 3.956 0 . 1 . . . . 40 GLY HA3 . 7290 1 88 . 1 1 12 12 HIS H H 1 8.238 0 . 1 . . . . 41 HIS H . 7290 1 89 . 1 1 12 12 HIS HA H 1 4.721 0 . 1 . . . . 41 HIS HA . 7290 1 90 . 1 1 12 12 HIS HB2 H 1 3.268 0 . 2 . . . . 41 HIS HB2 . 7290 1 91 . 1 1 12 12 HIS HB3 H 1 3.424 0 . 2 . . . . 41 HIS HB3 . 7290 1 92 . 1 1 12 12 HIS HD2 H 1 7.331 0 . 1 . . . . 41 HIS HD2 . 7290 1 93 . 1 1 12 12 HIS HE1 H 1 8.59 0 . 1 . . . . 41 HIS HE1 . 7290 1 94 . 1 1 13 13 CYS H H 1 8.331 0 . 1 . . . . 42 CYS H . 7290 1 95 . 1 1 13 13 CYS HA H 1 4.476 0 . 1 . . . . 42 CYS HA . 7290 1 96 . 1 1 13 13 CYS HB2 H 1 3.024 0 . 1 . . . . 42 CYS HB2 . 7290 1 97 . 1 1 13 13 CYS HB3 H 1 3.024 0 . 1 . . . . 42 CYS HB3 . 7290 1 98 . 1 1 14 14 GLN H H 1 8.481 0 . 1 . . . . 43 GLN H . 7290 1 99 . 1 1 14 14 GLN HA H 1 4.311 0 . 1 . . . . 43 GLN HA . 7290 1 100 . 1 1 14 14 GLN HB2 H 1 2.099 0 . 2 . . . . 43 GLN HB2 . 7290 1 101 . 1 1 14 14 GLN HB3 H 1 2.181 0 . 2 . . . . 43 GLN HB3 . 7290 1 102 . 1 1 14 14 GLN HG2 H 1 2.45 0 . 1 . . . . 43 GLN HG2 . 7290 1 103 . 1 1 14 14 GLN HG3 H 1 2.45 0 . 1 . . . . 43 GLN HG3 . 7290 1 104 . 1 1 15 15 LYS H H 1 8.201 0 . 1 . . . . 44 LYS H . 7290 1 105 . 1 1 15 15 LYS HA H 1 4.369 0 . 1 . . . . 44 LYS HA . 7290 1 106 . 1 1 15 15 LYS HB2 H 1 1.857 0 . 2 . . . . 44 LYS HB2 . 7290 1 107 . 1 1 15 15 LYS HB3 H 1 1.914 0 . 2 . . . . 44 LYS HB3 . 7290 1 108 . 1 1 15 15 LYS HG2 H 1 1.495 0 . 2 . . . . 44 LYS HG2 . 7290 1 109 . 1 1 15 15 LYS HG3 H 1 1.54 0 . 2 . . . . 44 LYS HG3 . 7290 1 110 . 1 1 15 15 LYS HD2 H 1 1.736 0 . 1 . . . . 44 LYS HD2 . 7290 1 111 . 1 1 15 15 LYS HD3 H 1 1.736 0 . 1 . . . . 44 LYS HD3 . 7290 1 112 . 1 1 15 15 LYS HE2 H 1 3.038 0 . 1 . . . . 44 LYS HE2 . 7290 1 113 . 1 1 15 15 LYS HE3 H 1 3.038 0 . 1 . . . . 44 LYS HE3 . 7290 1 114 . 1 1 15 15 LYS HZ1 H 1 7.618 0 . 1 . . . . 44 LYS HZ . 7290 1 115 . 1 1 15 15 LYS HZ2 H 1 7.618 0 . 1 . . . . 44 LYS HZ . 7290 1 116 . 1 1 15 15 LYS HZ3 H 1 7.618 0 . 1 . . . . 44 LYS HZ . 7290 1 117 . 1 1 16 16 THR H H 1 7.905 0 . 1 . . . . 45 THR H . 7290 1 118 . 1 1 16 16 THR HA H 1 4.333 0 . 1 . . . . 45 THR HA . 7290 1 119 . 1 1 16 16 THR HB H 1 4.333 0 . 1 . . . . 45 THR HB . 7290 1 120 . 1 1 16 16 THR HG21 H 1 1.248 0 . 1 . . . . 45 THR HG2 . 7290 1 121 . 1 1 16 16 THR HG22 H 1 1.248 0 . 1 . . . . 45 THR HG2 . 7290 1 122 . 1 1 16 16 THR HG23 H 1 1.248 0 . 1 . . . . 45 THR HG2 . 7290 1 123 . 1 1 17 17 MET H H 1 8.243 0 . 1 . . . . 46 MET H . 7290 1 124 . 1 1 17 17 MET HA H 1 4.485 0 . 1 . . . . 46 MET HA . 7290 1 125 . 1 1 17 17 MET HB2 H 1 2.11 0 . 2 . . . . 46 MET HB2 . 7290 1 126 . 1 1 17 17 MET HB3 H 1 2.155 0 . 2 . . . . 46 MET HB3 . 7290 1 127 . 1 1 17 17 MET HG2 H 1 2.608 0 . 2 . . . . 46 MET HG2 . 7290 1 128 . 1 1 17 17 MET HG3 H 1 2.656 0 . 2 . . . . 46 MET HG3 . 7290 1 129 . 1 1 17 17 MET HE1 H 1 2.128 0 . 1 . . . . 46 MET HE . 7290 1 130 . 1 1 17 17 MET HE2 H 1 2.128 0 . 1 . . . . 46 MET HE . 7290 1 131 . 1 1 17 17 MET HE3 H 1 2.128 0 . 1 . . . . 46 MET HE . 7290 1 132 . 1 1 18 18 ASN H H 1 8.225 0 . 1 . . . . 47 ASN H . 7290 1 133 . 1 1 18 18 ASN HA H 1 4.65 0 . 1 . . . . 47 ASN HA . 7290 1 134 . 1 1 18 18 ASN HB2 H 1 2.839 0 . 1 . . . . 47 ASN HB2 . 7290 1 135 . 1 1 18 18 ASN HB3 H 1 2.839 0 . 1 . . . . 47 ASN HB3 . 7290 1 136 . 1 1 18 18 ASN HD21 H 1 6.706 0 . 2 . . . . 47 ASN HD21 . 7290 1 137 . 1 1 18 18 ASN HD22 H 1 7.442 0 . 2 . . . . 47 ASN HD22 . 7290 1 138 . 1 1 19 19 GLN H H 1 8.116 0 . 1 . . . . 48 GLN H . 7290 1 139 . 1 1 19 19 GLN HA H 1 4.363 0 . 1 . . . . 48 GLN HA . 7290 1 140 . 1 1 19 19 GLN HB2 H 1 2.146 0 . 2 . . . . 48 GLN HB2 . 7290 1 141 . 1 1 19 19 GLN HB3 H 1 2.186 0 . 2 . . . . 48 GLN HB3 . 7290 1 142 . 1 1 19 19 GLN HG2 H 1 2.425 0 . 1 . . . . 48 GLN HG2 . 7290 1 143 . 1 1 19 19 GLN HG3 H 1 2.425 0 . 1 . . . . 48 GLN HG3 . 7290 1 144 . 1 1 19 19 GLN HE21 H 1 6.65 0 . 2 . . . . 48 GLN HE21 . 7290 1 145 . 1 1 19 19 GLN HE22 H 1 7.363 0 . 2 . . . . 48 GLN HE22 . 7290 1 146 . 1 1 20 20 VAL H H 1 7.884 0 . 1 . . . . 49 VAL H . 7290 1 147 . 1 1 20 20 VAL HA H 1 4.113 0 . 1 . . . . 49 VAL HA . 7290 1 148 . 1 1 20 20 VAL HB H 1 2.184 0 . 1 . . . . 49 VAL HB . 7290 1 149 . 1 1 20 20 VAL HG11 H 1 0.897 0 . 2 . . . . 49 VAL HG1 . 7290 1 150 . 1 1 20 20 VAL HG12 H 1 0.897 0 . 2 . . . . 49 VAL HG1 . 7290 1 151 . 1 1 20 20 VAL HG13 H 1 0.897 0 . 2 . . . . 49 VAL HG1 . 7290 1 152 . 1 1 20 20 VAL HG21 H 1 0.957 0 . 2 . . . . 49 VAL HG2 . 7290 1 153 . 1 1 20 20 VAL HG22 H 1 0.957 0 . 2 . . . . 49 VAL HG2 . 7290 1 154 . 1 1 20 20 VAL HG23 H 1 0.957 0 . 2 . . . . 49 VAL HG2 . 7290 1 155 . 1 1 21 21 VAL H H 1 7.816 0 . 1 . . . . 50 VAL H . 7290 1 156 . 1 1 21 21 VAL HA H 1 4.176 0 . 1 . . . . 50 VAL HA . 7290 1 157 . 1 1 21 21 VAL HB H 1 2.14 0 . 1 . . . . 50 VAL HB . 7290 1 158 . 1 1 21 21 VAL HG11 H 1 0.981 0 . 1 . . . . 50 VAL HG1 . 7290 1 159 . 1 1 21 21 VAL HG12 H 1 0.981 0 . 1 . . . . 50 VAL HG1 . 7290 1 160 . 1 1 21 21 VAL HG13 H 1 0.981 0 . 1 . . . . 50 VAL HG1 . 7290 1 161 . 1 1 21 21 VAL HG21 H 1 0.981 0 . 1 . . . . 50 VAL HG2 . 7290 1 162 . 1 1 21 21 VAL HG22 H 1 0.981 0 . 1 . . . . 50 VAL HG2 . 7290 1 163 . 1 1 21 21 VAL HG23 H 1 0.981 0 . 1 . . . . 50 VAL HG2 . 7290 1 164 . 1 1 22 22 MET H H 1 8.08 0 . 1 . . . . 51 MET H . 7290 1 165 . 1 1 22 22 MET HA H 1 4.814 0 . 1 . . . . 51 MET HA . 7290 1 166 . 1 1 22 22 MET HB2 H 1 2.109 0 . 1 . . . . 51 MET HB2 . 7290 1 167 . 1 1 22 22 MET HB3 H 1 2.109 0 . 1 . . . . 51 MET HB3 . 7290 1 168 . 1 1 22 22 MET HG2 H 1 2.608 0 . 2 . . . . 51 MET HG2 . 7290 1 169 . 1 1 22 22 MET HG3 H 1 2.671 0 . 2 . . . . 51 MET HG3 . 7290 1 170 . 1 1 22 22 MET HE1 H 1 2.109 0 . 1 . . . . 51 MET HE . 7290 1 171 . 1 1 22 22 MET HE2 H 1 2.109 0 . 1 . . . . 51 MET HE . 7290 1 172 . 1 1 22 22 MET HE3 H 1 2.109 0 . 1 . . . . 51 MET HE . 7290 1 173 . 1 1 23 23 PRO HA H 1 4.409 0 . 1 . . . . 52 PRO HA . 7290 1 174 . 1 1 23 23 PRO HB2 H 1 1.967 0 . 2 . . . . 52 PRO HB2 . 7290 1 175 . 1 1 23 23 PRO HB3 H 1 2.338 0 . 2 . . . . 52 PRO HB3 . 7290 1 176 . 1 1 23 23 PRO HG2 H 1 2.033 0 . 1 . . . . 52 PRO HG2 . 7290 1 177 . 1 1 23 23 PRO HG3 H 1 2.033 0 . 1 . . . . 52 PRO HG3 . 7290 1 178 . 1 1 23 23 PRO HD2 H 1 3.779 0 . 1 . . . . 52 PRO HD2 . 7290 1 179 . 1 1 23 23 PRO HD3 H 1 3.779 0 . 1 . . . . 52 PRO HD3 . 7290 1 180 . 1 1 24 24 LYS H H 1 7.927 0 . 1 . . . . 53 LYS H . 7290 1 181 . 1 1 24 24 LYS HA H 1 4.045 0 . 1 . . . . 53 LYS HA . 7290 1 182 . 1 1 24 24 LYS HB2 H 1 1.736 0 . 2 . . . . 53 LYS HB2 . 7290 1 183 . 1 1 24 24 LYS HB3 H 1 1.885 0 . 2 . . . . 53 LYS HB3 . 7290 1 184 . 1 1 24 24 LYS HG2 H 1 1.482 0 . 2 . . . . 53 LYS HG2 . 7290 1 185 . 1 1 24 24 LYS HG3 H 1 1.567 0 . 2 . . . . 53 LYS HG3 . 7290 1 186 . 1 1 24 24 LYS HD2 H 1 1.697 0 . 1 . . . . 53 LYS HD2 . 7290 1 187 . 1 1 24 24 LYS HD3 H 1 1.697 0 . 1 . . . . 53 LYS HD3 . 7290 1 188 . 1 1 24 24 LYS HE2 H 1 3.026 0 . 1 . . . . 53 LYS HE2 . 7290 1 189 . 1 1 24 24 LYS HE3 H 1 3.026 0 . 1 . . . . 53 LYS HE3 . 7290 1 190 . 1 1 24 24 LYS HZ1 H 1 7.622 0 . 1 . . . . 53 LYS HZ . 7290 1 191 . 1 1 24 24 LYS HZ2 H 1 7.622 0 . 1 . . . . 53 LYS HZ . 7290 1 192 . 1 1 24 24 LYS HZ3 H 1 7.622 0 . 1 . . . . 53 LYS HZ . 7290 1 193 . 1 1 25 25 GLN H H 1 8.377 0 . 1 . . . . 54 GLN H . 7290 1 194 . 1 1 25 25 GLN HA H 1 4.116 0 . 1 . . . . 54 GLN HA . 7290 1 195 . 1 1 25 25 GLN HB2 H 1 2.117 0 . 2 . . . . 54 GLN HB2 . 7290 1 196 . 1 1 25 25 GLN HB3 H 1 2.197 0 . 2 . . . . 54 GLN HB3 . 7290 1 197 . 1 1 25 25 GLN HG2 H 1 2.318 0 . 2 . . . . 54 GLN HG2 . 7290 1 198 . 1 1 25 25 GLN HG3 H 1 2.393 0 . 2 . . . . 54 GLN HG3 . 7290 1 199 . 1 1 25 25 GLN HE21 H 1 6.578 0 . 2 . . . . 54 GLN HE21 . 7290 1 200 . 1 1 25 25 GLN HE22 H 1 6.964 0 . 2 . . . . 54 GLN HE22 . 7290 1 201 . 1 1 26 26 ILE H H 1 7.637 0 . 1 . . . . 55 ILE H . 7290 1 202 . 1 1 26 26 ILE HA H 1 4.117 0 . 1 . . . . 55 ILE HA . 7290 1 203 . 1 1 26 26 ILE HB H 1 2.072 0 . 1 . . . . 55 ILE HB . 7290 1 204 . 1 1 26 26 ILE HG12 H 1 1.316 0 . 2 . . . . 55 ILE HG12 . 7290 1 205 . 1 1 26 26 ILE HG13 H 1 1.674 0 . 2 . . . . 55 ILE HG13 . 7290 1 206 . 1 1 26 26 ILE HG21 H 1 1.046 0 . 1 . . . . 55 ILE HG2 . 7290 1 207 . 1 1 26 26 ILE HG22 H 1 1.046 0 . 1 . . . . 55 ILE HG2 . 7290 1 208 . 1 1 26 26 ILE HG23 H 1 1.046 0 . 1 . . . . 55 ILE HG2 . 7290 1 209 . 1 1 26 26 ILE HD11 H 1 0.935 0 . 1 . . . . 55 ILE HD1 . 7290 1 210 . 1 1 26 26 ILE HD12 H 1 0.935 0 . 1 . . . . 55 ILE HD1 . 7290 1 211 . 1 1 26 26 ILE HD13 H 1 0.935 0 . 1 . . . . 55 ILE HD1 . 7290 1 212 . 1 1 27 27 VAL H H 1 7.635 0 . 1 . . . . 56 VAL H . 7290 1 213 . 1 1 27 27 VAL HA H 1 3.692 0 . 1 . . . . 56 VAL HA . 7290 1 214 . 1 1 27 27 VAL HB H 1 2.149 0 . 1 . . . . 56 VAL HB . 7290 1 215 . 1 1 27 27 VAL HG11 H 1 0.936 0 . 2 . . . . 56 VAL HG1 . 7290 1 216 . 1 1 27 27 VAL HG12 H 1 0.936 0 . 2 . . . . 56 VAL HG1 . 7290 1 217 . 1 1 27 27 VAL HG13 H 1 0.936 0 . 2 . . . . 56 VAL HG1 . 7290 1 218 . 1 1 27 27 VAL HG21 H 1 1.045 0 . 2 . . . . 56 VAL HG2 . 7290 1 219 . 1 1 27 27 VAL HG22 H 1 1.045 0 . 2 . . . . 56 VAL HG2 . 7290 1 220 . 1 1 27 27 VAL HG23 H 1 1.045 0 . 2 . . . . 56 VAL HG2 . 7290 1 221 . 1 1 28 28 TYR H H 1 7.97 0 . 1 . . . . 57 TYR H . 7290 1 222 . 1 1 28 28 TYR HA H 1 4.299 0 . 1 . . . . 57 TYR HA . 7290 1 223 . 1 1 28 28 TYR HB2 H 1 3.075 0 . 1 . . . . 57 TYR HB2 . 7290 1 224 . 1 1 28 28 TYR HB3 H 1 3.075 0 . 1 . . . . 57 TYR HB3 . 7290 1 225 . 1 1 28 28 TYR HD1 H 1 6.848 0 . 1 . . . . 57 TYR HD1 . 7290 1 226 . 1 1 28 28 TYR HD2 H 1 6.848 0 . 1 . . . . 57 TYR HD2 . 7290 1 227 . 1 1 28 28 TYR HE1 H 1 6.534 0 . 1 . . . . 57 TYR HE1 . 7290 1 228 . 1 1 28 28 TYR HE2 H 1 6.534 0 . 1 . . . . 57 TYR HE2 . 7290 1 229 . 1 1 29 29 TRP H H 1 8.249 0 . 1 . . . . 58 TRP H . 7290 1 230 . 1 1 29 29 TRP HA H 1 4.65 0 . 1 . . . . 58 TRP HA . 7290 1 231 . 1 1 29 29 TRP HB2 H 1 3.488 0 . 1 . . . . 58 TRP HB2 . 7290 1 232 . 1 1 29 29 TRP HB3 H 1 3.488 0 . 1 . . . . 58 TRP HB3 . 7290 1 233 . 1 1 29 29 TRP HD1 H 1 7.269 0 . 1 . . . . 58 TRP HD1 . 7290 1 234 . 1 1 29 29 TRP HE1 H 1 9.637 0 . 1 . . . . 58 TRP HE1 . 7290 1 235 . 1 1 29 29 TRP HE3 H 1 7.596 0 . 1 . . . . 58 TRP HE3 . 7290 1 236 . 1 1 29 29 TRP HZ2 H 1 6.674 0 . 1 . . . . 58 TRP HZ2 . 7290 1 237 . 1 1 29 29 TRP HZ3 H 1 7.436 0 . 1 . . . . 58 TRP HZ3 . 7290 1 238 . 1 1 29 29 TRP HH2 H 1 7.099 0 . 1 . . . . 58 TRP HH2 . 7290 1 239 . 1 1 30 30 LYS H H 1 8.586 0 . 1 . . . . 59 LYS H . 7290 1 240 . 1 1 30 30 LYS HA H 1 3.996 0 . 1 . . . . 59 LYS HA . 7290 1 241 . 1 1 30 30 LYS HB2 H 1 1.954 0 . 2 . . . . 59 LYS HB2 . 7290 1 242 . 1 1 30 30 LYS HB3 H 1 2.034 0 . 2 . . . . 59 LYS HB3 . 7290 1 243 . 1 1 30 30 LYS HG2 H 1 1.484 0 . 1 . . . . 59 LYS HG2 . 7290 1 244 . 1 1 30 30 LYS HG3 H 1 1.484 0 . 1 . . . . 59 LYS HG3 . 7290 1 245 . 1 1 30 30 LYS HD2 H 1 1.69 0 . 1 . . . . 59 LYS HD2 . 7290 1 246 . 1 1 30 30 LYS HD3 H 1 1.69 0 . 1 . . . . 59 LYS HD3 . 7290 1 247 . 1 1 30 30 LYS HE2 H 1 2.996 0 . 1 . . . . 59 LYS HE2 . 7290 1 248 . 1 1 30 30 LYS HE3 H 1 2.996 0 . 1 . . . . 59 LYS HE3 . 7290 1 249 . 1 1 30 30 LYS HZ1 H 1 7.606 0 . 1 . . . . 59 LYS HZ . 7290 1 250 . 1 1 30 30 LYS HZ2 H 1 7.606 0 . 1 . . . . 59 LYS HZ . 7290 1 251 . 1 1 30 30 LYS HZ3 H 1 7.606 0 . 1 . . . . 59 LYS HZ . 7290 1 252 . 1 1 31 31 GLN H H 1 8.312 0 . 1 . . . . 60 GLN H . 7290 1 253 . 1 1 31 31 GLN HA H 1 4.042 0 . 1 . . . . 60 GLN HA . 7290 1 254 . 1 1 31 31 GLN HB2 H 1 2.295 0 . 1 . . . . 60 GLN HB2 . 7290 1 255 . 1 1 31 31 GLN HB3 H 1 2.295 0 . 1 . . . . 60 GLN HB3 . 7290 1 256 . 1 1 31 31 GLN HG2 H 1 2.499 0 . 1 . . . . 60 GLN HG2 . 7290 1 257 . 1 1 31 31 GLN HG3 H 1 2.499 0 . 1 . . . . 60 GLN HG3 . 7290 1 258 . 1 1 31 31 GLN HE21 H 1 6.453 0 . 2 . . . . 60 GLN HE21 . 7290 1 259 . 1 1 31 31 GLN HE22 H 1 6.828 0 . 2 . . . . 60 GLN HE22 . 7290 1 260 . 1 1 32 32 TRP H H 1 8.493 0 . 1 . . . . 61 TRP H . 7290 1 261 . 1 1 32 32 TRP HA H 1 4.194 0 . 1 . . . . 61 TRP HA . 7290 1 262 . 1 1 32 32 TRP HB2 H 1 3.112 0 . 2 . . . . 61 TRP HB2 . 7290 1 263 . 1 1 32 32 TRP HB3 H 1 3.481 0 . 2 . . . . 61 TRP HB3 . 7290 1 264 . 1 1 32 32 TRP HD1 H 1 7.023 0 . 1 . . . . 61 TRP HD1 . 7290 1 265 . 1 1 32 32 TRP HE1 H 1 9.607 0 . 1 . . . . 61 TRP HE1 . 7290 1 266 . 1 1 32 32 TRP HE3 H 1 7.482 0 . 1 . . . . 61 TRP HE3 . 7290 1 267 . 1 1 32 32 TRP HZ2 H 1 7.45 0 . 1 . . . . 61 TRP HZ2 . 7290 1 268 . 1 1 32 32 TRP HZ3 H 1 7.081 0 . 1 . . . . 61 TRP HZ3 . 7290 1 269 . 1 1 32 32 TRP HH2 H 1 7.21 0 . 1 . . . . 61 TRP HH2 . 7290 1 270 . 1 1 33 33 LEU H H 1 8.642 0 . 1 . . . . 62 LEU H . 7290 1 271 . 1 1 33 33 LEU HA H 1 3.902 0 . 1 . . . . 62 LEU HA . 7290 1 272 . 1 1 33 33 LEU HB2 H 1 1.864 0 . 1 . . . . 62 LEU HB2 . 7290 1 273 . 1 1 33 33 LEU HB3 H 1 1.864 0 . 1 . . . . 62 LEU HB3 . 7290 1 274 . 1 1 33 33 LEU HG H 1 1.496 0 . 1 . . . . 62 LEU HG . 7290 1 275 . 1 1 33 33 LEU HD11 H 1 0.849 0 . 2 . . . . 62 LEU HD1 . 7290 1 276 . 1 1 33 33 LEU HD12 H 1 0.849 0 . 2 . . . . 62 LEU HD1 . 7290 1 277 . 1 1 33 33 LEU HD13 H 1 0.849 0 . 2 . . . . 62 LEU HD1 . 7290 1 278 . 1 1 33 33 LEU HD21 H 1 0.918 0 . 2 . . . . 62 LEU HD2 . 7290 1 279 . 1 1 33 33 LEU HD22 H 1 0.918 0 . 2 . . . . 62 LEU HD2 . 7290 1 280 . 1 1 33 33 LEU HD23 H 1 0.918 0 . 2 . . . . 62 LEU HD2 . 7290 1 281 . 1 1 34 34 SER H H 1 7.878 0 . 1 . . . . 63 SER H . 7290 1 282 . 1 1 34 34 SER HA H 1 4.247 0 . 1 . . . . 63 SER HA . 7290 1 283 . 1 1 34 34 SER HB2 H 1 3.944 0 . 2 . . . . 63 SER HB2 . 7290 1 284 . 1 1 34 34 SER HB3 H 1 4.045 0 . 2 . . . . 63 SER HB3 . 7290 1 285 . 1 1 35 35 LEU H H 1 7.492 0 . 1 . . . . 64 LEU H . 7290 1 286 . 1 1 35 35 LEU HA H 1 4.228 0 . 1 . . . . 64 LEU HA . 7290 1 287 . 1 1 35 35 LEU HB2 H 1 1.684 0 . 2 . . . . 64 LEU HB2 . 7290 1 288 . 1 1 35 35 LEU HB3 H 1 1.784 0 . 2 . . . . 64 LEU HB3 . 7290 1 289 . 1 1 35 35 LEU HG H 1 1.5 0 . 1 . . . . 64 LEU HG . 7290 1 290 . 1 1 35 35 LEU HD11 H 1 0.857 0 . 1 . . . . 64 LEU HD1 . 7290 1 291 . 1 1 35 35 LEU HD12 H 1 0.857 0 . 1 . . . . 64 LEU HD1 . 7290 1 292 . 1 1 35 35 LEU HD13 H 1 0.857 0 . 1 . . . . 64 LEU HD1 . 7290 1 293 . 1 1 35 35 LEU HD21 H 1 0.857 0 . 1 . . . . 64 LEU HD2 . 7290 1 294 . 1 1 35 35 LEU HD22 H 1 0.857 0 . 1 . . . . 64 LEU HD2 . 7290 1 295 . 1 1 35 35 LEU HD23 H 1 0.857 0 . 1 . . . . 64 LEU HD2 . 7290 1 296 . 1 1 36 36 ARG H H 1 7.498 0 . 1 . . . . 65 ARG H . 7290 1 297 . 1 1 36 36 ARG HA H 1 4.135 0 . 1 . . . . 65 ARG HA . 7290 1 298 . 1 1 36 36 ARG HB2 H 1 1.571 0 . 2 . . . . 65 ARG HB2 . 7290 1 299 . 1 1 36 36 ARG HB3 H 1 1.728 0 . 2 . . . . 65 ARG HB3 . 7290 1 300 . 1 1 36 36 ARG HG2 H 1 1.396 0 . 1 . . . . 65 ARG HG2 . 7290 1 301 . 1 1 36 36 ARG HG3 H 1 1.396 0 . 1 . . . . 65 ARG HG3 . 7290 1 302 . 1 1 36 36 ARG HD2 H 1 2.771 0 . 1 . . . . 65 ARG HD2 . 7290 1 303 . 1 1 36 36 ARG HD3 H 1 2.771 0 . 1 . . . . 65 ARG HD3 . 7290 1 304 . 1 1 36 36 ARG HH11 H 1 6.83 0 . 1 . . . . 65 ARG HH11 . 7290 1 305 . 1 1 36 36 ARG HH12 H 1 6.83 0 . 1 . . . . 65 ARG HH12 . 7290 1 306 . 1 1 36 36 ARG HH21 H 1 6.83 0 . 1 . . . . 65 ARG HH21 . 7290 1 307 . 1 1 36 36 ARG HH22 H 1 6.83 0 . 1 . . . . 65 ARG HH22 . 7290 1 308 . 1 1 37 37 ASN H H 1 7.718 0 . 1 . . . . 66 ASN H . 7290 1 309 . 1 1 37 37 ASN HA H 1 4.942 0 . 1 . . . . 66 ASN HA . 7290 1 310 . 1 1 37 37 ASN HB2 H 1 2.728 0 . 2 . . . . 66 ASN HB2 . 7290 1 311 . 1 1 37 37 ASN HB3 H 1 2.866 0 . 2 . . . . 66 ASN HB3 . 7290 1 312 . 1 1 37 37 ASN HD21 H 1 7.359 0 . 2 . . . . 66 ASN HD21 . 7290 1 313 . 1 1 37 37 ASN HD22 H 1 6.323 0 . 2 . . . . 66 ASN HD22 . 7290 1 314 . 1 1 38 38 PRO HA H 1 4.405 0 . 1 . . . . 67 PRO HA . 7290 1 315 . 1 1 38 38 PRO HB2 H 1 1.984 0 . 2 . . . . 67 PRO HB2 . 7290 1 316 . 1 1 38 38 PRO HB3 H 1 2.401 0 . 2 . . . . 67 PRO HB3 . 7290 1 317 . 1 1 38 38 PRO HG2 H 1 2.053 0 . 2 . . . . 67 PRO HG2 . 7290 1 318 . 1 1 38 38 PRO HG3 H 1 2.167 0 . 2 . . . . 67 PRO HG3 . 7290 1 319 . 1 1 38 38 PRO HD2 H 1 3.698 0 . 2 . . . . 67 PRO HD2 . 7290 1 320 . 1 1 38 38 PRO HD3 H 1 3.904 0 . 2 . . . . 67 PRO HD3 . 7290 1 321 . 1 1 39 39 ILE H H 1 7.79 0 . 1 . . . . 68 ILE H . 7290 1 322 . 1 1 39 39 ILE HA H 1 4.054 0 . 1 . . . . 68 ILE HA . 7290 1 323 . 1 1 39 39 ILE HB H 1 1.932 0 . 1 . . . . 68 ILE HB . 7290 1 324 . 1 1 39 39 ILE HG12 H 1 1.256 0 . 2 . . . . 68 ILE HG12 . 7290 1 325 . 1 1 39 39 ILE HG13 H 1 1.536 0 . 2 . . . . 68 ILE HG13 . 7290 1 326 . 1 1 39 39 ILE HG21 H 1 0.924 0 . 1 . . . . 68 ILE HG2 . 7290 1 327 . 1 1 39 39 ILE HG22 H 1 0.924 0 . 1 . . . . 68 ILE HG2 . 7290 1 328 . 1 1 39 39 ILE HG23 H 1 0.924 0 . 1 . . . . 68 ILE HG2 . 7290 1 329 . 1 1 39 39 ILE HD11 H 1 0.924 0 . 1 . . . . 68 ILE HD1 . 7290 1 330 . 1 1 39 39 ILE HD12 H 1 0.924 0 . 1 . . . . 68 ILE HD1 . 7290 1 331 . 1 1 39 39 ILE HD13 H 1 0.924 0 . 1 . . . . 68 ILE HD1 . 7290 1 332 . 1 1 40 40 LEU H H 1 7.605 0 . 1 . . . . 69 LEU H . 7290 1 333 . 1 1 40 40 LEU HA H 1 4.346 0 . 1 . . . . 69 LEU HA . 7290 1 334 . 1 1 40 40 LEU HB2 H 1 1.732 0 . 1 . . . . 69 LEU HB2 . 7290 1 335 . 1 1 40 40 LEU HB3 H 1 1.732 0 . 1 . . . . 69 LEU HB3 . 7290 1 336 . 1 1 40 40 LEU HG H 1 1.641 0 . 1 . . . . 69 LEU HG . 7290 1 337 . 1 1 40 40 LEU HD11 H 1 0.892 0 . 2 . . . . 69 LEU HD1 . 7290 1 338 . 1 1 40 40 LEU HD12 H 1 0.892 0 . 2 . . . . 69 LEU HD1 . 7290 1 339 . 1 1 40 40 LEU HD13 H 1 0.892 0 . 2 . . . . 69 LEU HD1 . 7290 1 340 . 1 1 40 40 LEU HD21 H 1 0.973 0 . 2 . . . . 69 LEU HD2 . 7290 1 341 . 1 1 40 40 LEU HD22 H 1 0.973 0 . 2 . . . . 69 LEU HD2 . 7290 1 342 . 1 1 40 40 LEU HD23 H 1 0.973 0 . 2 . . . . 69 LEU HD2 . 7290 1 343 . 1 1 41 41 VAL H H 1 7.515 0 . 1 . . . . 70 VAL H . 7290 1 344 . 1 1 41 41 VAL HA H 1 4.1 0 . 1 . . . . 70 VAL HA . 7290 1 345 . 1 1 41 41 VAL HB H 1 2.151 0 . 1 . . . . 70 VAL HB . 7290 1 346 . 1 1 41 41 VAL HG11 H 1 0.971 0 . 1 . . . . 70 VAL HG1 . 7290 1 347 . 1 1 41 41 VAL HG12 H 1 0.971 0 . 1 . . . . 70 VAL HG1 . 7290 1 348 . 1 1 41 41 VAL HG13 H 1 0.971 0 . 1 . . . . 70 VAL HG1 . 7290 1 349 . 1 1 41 41 VAL HG21 H 1 0.971 0 . 1 . . . . 70 VAL HG2 . 7290 1 350 . 1 1 41 41 VAL HG22 H 1 0.971 0 . 1 . . . . 70 VAL HG2 . 7290 1 351 . 1 1 41 41 VAL HG23 H 1 0.971 0 . 1 . . . . 70 VAL HG2 . 7290 1 stop_ save_