################################### # 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 7306 _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 . _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 TOCSY' 1 $sample_2 isotropic 7306 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 . . 7306 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 MET HA H 1 4.132 0.005 . 1 . . . . 1 MET HA . 7306 1 2 . 1 1 1 1 MET HB2 H 1 2.169 0.005 . 1 . . . . 1 MET HB1 . 7306 1 3 . 1 1 1 1 MET HB3 H 1 2.169 0.005 . 1 . . . . 1 MET HB2 . 7306 1 4 . 1 1 1 1 MET HG2 H 1 2.57 0.005 . 2 . . . . 1 MET HG1 . 7306 1 5 . 1 1 1 1 MET HG3 H 1 2.619 0.005 . 2 . . . . 1 MET HG2 . 7306 1 6 . 1 1 2 2 ASP H H 1 8.89 0.005 . 1 . . . . 2 ASP HN . 7306 1 7 . 1 1 2 2 ASP HA H 1 4.742 0.005 . 1 . . . . 2 ASP HA . 7306 1 8 . 1 1 2 2 ASP HB2 H 1 2.88 0.005 . 2 . . . . 2 ASP HB1 . 7306 1 9 . 1 1 2 2 ASP HB3 H 1 2.786 0.005 . 2 . . . . 2 ASP HB2 . 7306 1 10 . 1 1 3 3 GLU H H 1 8.625 0.005 . 1 . . . . 3 GLU HN . 7306 1 11 . 1 1 3 3 GLU HA H 1 4.458 0.005 . 1 . . . . 3 GLU HA . 7306 1 12 . 1 1 3 3 GLU HB2 H 1 2.178 0.005 . 2 . . . . 3 GLU HB1 . 7306 1 13 . 1 1 3 3 GLU HB3 H 1 1.963 0.005 . 2 . . . . 3 GLU HB2 . 7306 1 14 . 1 1 3 3 GLU HG2 H 1 2.458 0.005 . 2 . . . . 3 GLU HG1 . 7306 1 15 . 1 1 3 3 GLU HG3 H 1 2.459 0.005 . 2 . . . . 3 GLU HG2 . 7306 1 16 . 1 1 4 4 THR H H 1 8.226 0.005 . 1 . . . . 4 THR HN . 7306 1 17 . 1 1 4 4 THR HA H 1 4.289 0.005 . 1 . . . . 4 THR HA . 7306 1 18 . 1 1 4 4 THR HB H 1 4.224 0.005 . 1 . . . . 4 THR HB . 7306 1 19 . 1 1 4 4 THR HG21 H 1 1.209 0.005 . 1 . . . . 4 THR HG21 . 7306 1 20 . 1 1 4 4 THR HG22 H 1 1.209 0.005 . 1 . . . . 4 THR HG21 . 7306 1 21 . 1 1 4 4 THR HG23 H 1 1.209 0.005 . 1 . . . . 4 THR HG21 . 7306 1 22 . 1 1 5 5 GLY H H 1 8.432 0.005 . 1 . . . . 5 GLY HN . 7306 1 23 . 1 1 5 5 GLY HA2 H 1 3.961 0.005 . 1 . . . . 5 GLY HA1 . 7306 1 24 . 1 1 5 5 GLY HA3 H 1 3.961 0.005 . 1 . . . . 5 GLY HA2 . 7306 1 25 . 1 1 6 6 LYS H H 1 8.026 0.005 . 1 . . . . 6 LYS HN . 7306 1 26 . 1 1 6 6 LYS HA H 1 4.38 0.005 . 1 . . . . 6 LYS HA . 7306 1 27 . 1 1 6 6 LYS HB2 H 1 1.803 0.005 . 2 . . . . 6 LYS HB1 . 7306 1 28 . 1 1 6 6 LYS HB3 H 1 1.691 0.005 . 2 . . . . 6 LYS HB2 . 7306 1 29 . 1 1 6 6 LYS HG2 H 1 1.403 0.005 . 2 . . . . 6 LYS HG1 . 7306 1 30 . 1 1 6 6 LYS HG3 H 1 1.333 0.005 . 2 . . . . 6 LYS HG2 . 7306 1 31 . 1 1 6 6 LYS HD2 H 1 1.691 0.005 . 1 . . . . 6 LYS HD1 . 7306 1 32 . 1 1 6 6 LYS HD3 H 1 1.691 0.005 . 1 . . . . 6 LYS HD2 . 7306 1 33 . 1 1 6 6 LYS HE2 H 1 2.981 0.005 . 1 . . . . 6 LYS HE1 . 7306 1 34 . 1 1 6 6 LYS HE3 H 1 2.981 0.005 . 1 . . . . 6 LYS HE2 . 7306 1 35 . 1 1 7 7 GLU H H 1 8.671 0.005 . 1 . . . . 7 GLU HN . 7306 1 36 . 1 1 7 7 GLU HA H 1 4.521 0.005 . 1 . . . . 7 GLU HA . 7306 1 37 . 1 1 7 7 GLU HB2 H 1 2.057 0.005 . 2 . . . . 7 GLU HB1 . 7306 1 38 . 1 1 7 7 GLU HB3 H 1 2.017 0.005 . 2 . . . . 7 GLU HB2 . 7306 1 39 . 1 1 7 7 GLU HG2 H 1 2.375 0.005 . 2 . . . . 7 GLU HG1 . 7306 1 40 . 1 1 7 7 GLU HG3 H 1 2.488 0.005 . 2 . . . . 7 GLU HG2 . 7306 1 41 . 1 1 8 8 LEU H H 1 8.353 0.005 . 1 . . . . 8 LEU HN . 7306 1 42 . 1 1 8 8 LEU HA H 1 5.414 0.005 . 1 . . . . 8 LEU HA . 7306 1 43 . 1 1 8 8 LEU HB2 H 1 1.337 0.005 . 1 . . . . 8 LEU HB1 . 7306 1 44 . 1 1 8 8 LEU HB3 H 1 1.337 0.005 . 1 . . . . 8 LEU HB2 . 7306 1 45 . 1 1 8 8 LEU HG H 1 1.674 0.005 . 1 . . . . 8 LEU HG . 7306 1 46 . 1 1 8 8 LEU HD11 H 1 0.844 0.005 . 4 . . . . 8 LEU HD11 . 7306 1 47 . 1 1 8 8 LEU HD12 H 1 0.844 0.005 . 4 . . . . 8 LEU HD11 . 7306 1 48 . 1 1 8 8 LEU HD13 H 1 0.844 0.005 . 4 . . . . 8 LEU HD11 . 7306 1 49 . 1 1 8 8 LEU HD21 H 1 0.775 0.005 . 4 . . . . 8 LEU HD21 . 7306 1 50 . 1 1 8 8 LEU HD22 H 1 0.775 0.005 . 4 . . . . 8 LEU HD21 . 7306 1 51 . 1 1 8 8 LEU HD23 H 1 0.775 0.005 . 4 . . . . 8 LEU HD21 . 7306 1 52 . 1 1 9 9 VAL H H 1 9.175 0.005 . 1 . . . . 9 VAL HN . 7306 1 53 . 1 1 9 9 VAL HA H 1 5.22 0.005 . 1 . . . . 9 VAL HA . 7306 1 54 . 1 1 9 9 VAL HB H 1 2.021 0.005 . 1 . . . . 9 VAL HB . 7306 1 55 . 1 1 9 9 VAL HG11 H 1 1.05 0.005 . 4 . . . . 9 VAL HG11 . 7306 1 56 . 1 1 9 9 VAL HG12 H 1 1.05 0.005 . 4 . . . . 9 VAL HG11 . 7306 1 57 . 1 1 9 9 VAL HG13 H 1 1.05 0.005 . 4 . . . . 9 VAL HG11 . 7306 1 58 . 1 1 9 9 VAL HG21 H 1 0.817 0.005 . 4 . . . . 9 VAL HG21 . 7306 1 59 . 1 1 9 9 VAL HG22 H 1 0.817 0.005 . 4 . . . . 9 VAL HG21 . 7306 1 60 . 1 1 9 9 VAL HG23 H 1 0.817 0.005 . 4 . . . . 9 VAL HG21 . 7306 1 61 . 1 1 10 10 LEU H H 1 9.013 0.005 . 1 . . . . 10 LEU HN . 7306 1 62 . 1 1 10 10 LEU HA H 1 5.111 0.005 . 1 . . . . 10 LEU HA . 7306 1 63 . 1 1 10 10 LEU HB2 H 1 1.716 0.005 . 2 . . . . 10 LEU HB1 . 7306 1 64 . 1 1 10 10 LEU HB3 H 1 1.395 0.005 . 2 . . . . 10 LEU HB2 . 7306 1 65 . 1 1 10 10 LEU HG H 1 1.238 0.005 . 1 . . . . 10 LEU HG . 7306 1 66 . 1 1 10 10 LEU HD11 H 1 0.854 0.005 . 4 . . . . 10 LEU HD11 . 7306 1 67 . 1 1 10 10 LEU HD12 H 1 0.854 0.005 . 4 . . . . 10 LEU HD11 . 7306 1 68 . 1 1 10 10 LEU HD13 H 1 0.854 0.005 . 4 . . . . 10 LEU HD11 . 7306 1 69 . 1 1 10 10 LEU HD21 H 1 0.817 0.005 . 4 . . . . 10 LEU HD21 . 7306 1 70 . 1 1 10 10 LEU HD22 H 1 0.817 0.005 . 4 . . . . 10 LEU HD21 . 7306 1 71 . 1 1 10 10 LEU HD23 H 1 0.817 0.005 . 4 . . . . 10 LEU HD21 . 7306 1 72 . 1 1 11 11 ALA H H 1 9.09 0.005 . 1 . . . . 11 ALA HN . 7306 1 73 . 1 1 11 11 ALA HA H 1 4.588 0.005 . 1 . . . . 11 ALA HA . 7306 1 74 . 1 1 11 11 ALA HB1 H 1 1.673 0.005 . 1 . . . . 11 ALA HB1 . 7306 1 75 . 1 1 11 11 ALA HB2 H 1 1.673 0.005 . 1 . . . . 11 ALA HB1 . 7306 1 76 . 1 1 11 11 ALA HB3 H 1 1.673 0.005 . 1 . . . . 11 ALA HB1 . 7306 1 77 . 1 1 12 12 LEU H H 1 9.24 0.005 . 1 . . . . 12 LEU HN . 7306 1 78 . 1 1 12 12 LEU HA H 1 3.825 0.005 . 1 . . . . 12 LEU HA . 7306 1 79 . 1 1 12 12 LEU HB2 H 1 1.063 0.005 . 2 . . . . 12 LEU HB1 . 7306 1 80 . 1 1 12 12 LEU HB3 H 1 0.45 0.005 . 2 . . . . 12 LEU HB2 . 7306 1 81 . 1 1 12 12 LEU HG H 1 1.324 0.005 . 1 . . . . 12 LEU HG . 7306 1 82 . 1 1 12 12 LEU HD11 H 1 0.609 0.005 . 4 . . . . 12 LEU HD11 . 7306 1 83 . 1 1 12 12 LEU HD12 H 1 0.609 0.005 . 4 . . . . 12 LEU HD11 . 7306 1 84 . 1 1 12 12 LEU HD13 H 1 0.609 0.005 . 4 . . . . 12 LEU HD11 . 7306 1 85 . 1 1 12 12 LEU HD21 H 1 0.45 0.005 . 2 . . . . 12 LEU HD21 . 7306 1 86 . 1 1 12 12 LEU HD22 H 1 0.45 0.005 . 2 . . . . 12 LEU HD21 . 7306 1 87 . 1 1 12 12 LEU HD23 H 1 0.45 0.005 . 2 . . . . 12 LEU HD21 . 7306 1 88 . 1 1 13 13 TYR H H 1 7.097 0.005 . 1 . . . . 13 TYR HN . 7306 1 89 . 1 1 13 13 TYR HA H 1 4.745 0.005 . 1 . . . . 13 TYR HA . 7306 1 90 . 1 1 13 13 TYR HB2 H 1 3.191 0.005 . 2 . . . . 13 TYR HB1 . 7306 1 91 . 1 1 13 13 TYR HB3 H 1 2.326 0.005 . 2 . . . . 13 TYR HB2 . 7306 1 92 . 1 1 13 13 TYR HD1 H 1 6.677 0.005 . 1 . . . . 13 TYR HD1 . 7306 1 93 . 1 1 13 13 TYR HD2 H 1 6.677 0.005 . 1 . . . . 13 TYR HD2 . 7306 1 94 . 1 1 13 13 TYR HE1 H 1 6.599 0.005 . 1 . . . . 13 TYR HE1 . 7306 1 95 . 1 1 13 13 TYR HE2 H 1 6.599 0.005 . 1 . . . . 13 TYR HE2 . 7306 1 96 . 1 1 14 14 ASP H H 1 8.502 0.005 . 1 . . . . 14 ASP HN . 7306 1 97 . 1 1 14 14 ASP HA H 1 4.653 0.005 . 1 . . . . 14 ASP HA . 7306 1 98 . 1 1 14 14 ASP HB2 H 1 2.977 0.005 . 2 . . . . 14 ASP HB1 . 7306 1 99 . 1 1 14 14 ASP HB3 H 1 2.739 0.005 . 2 . . . . 14 ASP HB2 . 7306 1 100 . 1 1 15 15 TYR H H 1 8.621 0.005 . 1 . . . . 15 TYR HN . 7306 1 101 . 1 1 15 15 TYR HA H 1 4.722 0.005 . 1 . . . . 15 TYR HA . 7306 1 102 . 1 1 15 15 TYR HB2 H 1 3.104 0.005 . 2 . . . . 15 TYR HB1 . 7306 1 103 . 1 1 15 15 TYR HB3 H 1 2.834 0.005 . 2 . . . . 15 TYR HB2 . 7306 1 104 . 1 1 15 15 TYR HD1 H 1 7.235 0.005 . 1 . . . . 15 TYR HD1 . 7306 1 105 . 1 1 15 15 TYR HD2 H 1 7.235 0.005 . 1 . . . . 15 TYR HD2 . 7306 1 106 . 1 1 15 15 TYR HE1 H 1 6.895 0.005 . 1 . . . . 15 TYR HE1 . 7306 1 107 . 1 1 15 15 TYR HE2 H 1 6.895 0.005 . 1 . . . . 15 TYR HE2 . 7306 1 108 . 1 1 16 16 GLN H H 1 7.539 0.005 . 1 . . . . 16 GLN HN . 7306 1 109 . 1 1 16 16 GLN HA H 1 4.574 0.005 . 1 . . . . 16 GLN HA . 7306 1 110 . 1 1 16 16 GLN HB2 H 1 1.757 0.005 . 2 . . . . 16 GLN HB1 . 7306 1 111 . 1 1 16 16 GLN HB3 H 1 1.809 0.005 . 2 . . . . 16 GLN HB2 . 7306 1 112 . 1 1 16 16 GLN HG2 H 1 2.292 0.005 . 2 . . . . 16 GLN HG1 . 7306 1 113 . 1 1 16 16 GLN HG3 H 1 2.237 0.005 . 2 . . . . 16 GLN HG2 . 7306 1 114 . 1 1 16 16 GLN HE21 H 1 7.513 0.005 . 2 . . . . 16 GLN HE21 . 7306 1 115 . 1 1 16 16 GLN HE22 H 1 6.842 0.005 . 2 . . . . 16 GLN HE22 . 7306 1 116 . 1 1 17 17 GLU H H 1 8.087 0.005 . 1 . . . . 17 GLU HN . 7306 1 117 . 1 1 17 17 GLU HA H 1 4.158 0.005 . 1 . . . . 17 GLU HA . 7306 1 118 . 1 1 17 17 GLU HB2 H 1 2.249 0.005 . 2 . . . . 17 GLU HB1 . 7306 1 119 . 1 1 17 17 GLU HB3 H 1 1.792 0.005 . 2 . . . . 17 GLU HB2 . 7306 1 120 . 1 1 17 17 GLU HG2 H 1 2.357 0.005 . 1 . . . . 17 GLU HG1 . 7306 1 121 . 1 1 17 17 GLU HG3 H 1 2.357 0.005 . 1 . . . . 17 GLU HG2 . 7306 1 122 . 1 1 18 18 LYS H H 1 8.61 0.005 . 1 . . . . 18 LYS HN . 7306 1 123 . 1 1 18 18 LYS HA H 1 4.434 0.005 . 1 . . . . 18 LYS HA . 7306 1 124 . 1 1 18 18 LYS HB2 H 1 2.049 0.005 . 1 . . . . 18 LYS HB1 . 7306 1 125 . 1 1 18 18 LYS HB3 H 1 2.049 0.005 . 1 . . . . 18 LYS HB2 . 7306 1 126 . 1 1 18 18 LYS HG2 H 1 1.629 0.005 . 2 . . . . 18 LYS HG1 . 7306 1 127 . 1 1 18 18 LYS HG3 H 1 1.504 0.005 . 2 . . . . 18 LYS HG2 . 7306 1 128 . 1 1 18 18 LYS HD2 H 1 1.689 0.005 . 1 . . . . 18 LYS HD1 . 7306 1 129 . 1 1 18 18 LYS HD3 H 1 1.689 0.005 . 1 . . . . 18 LYS HD2 . 7306 1 130 . 1 1 18 18 LYS HE2 H 1 3.001 0.005 . 2 . . . . 18 LYS HE1 . 7306 1 131 . 1 1 18 18 LYS HE3 H 1 3.012 0.005 . 2 . . . . 18 LYS HE2 . 7306 1 132 . 1 1 19 19 SER H H 1 7.765 0.005 . 1 . . . . 19 SER HN . 7306 1 133 . 1 1 19 19 SER HA H 1 4.895 0.005 . 1 . . . . 19 SER HA . 7306 1 134 . 1 1 19 19 SER HB2 H 1 4.194 0.005 . 2 . . . . 19 SER HB1 . 7306 1 135 . 1 1 19 19 SER HB3 H 1 3.897 0.005 . 2 . . . . 19 SER HB2 . 7306 1 136 . 1 1 20 20 PRO HA H 1 4.532 0.005 . 1 . . . . 20 PRO HA . 7306 1 137 . 1 1 20 20 PRO HB2 H 1 1.998 0.005 . 2 . . . . 20 PRO HB1 . 7306 1 138 . 1 1 20 20 PRO HB3 H 1 2.478 0.005 . 2 . . . . 20 PRO HB2 . 7306 1 139 . 1 1 20 20 PRO HG2 H 1 2.12 0.005 . 2 . . . . 20 PRO HG1 . 7306 1 140 . 1 1 20 20 PRO HG3 H 1 2.477 0.005 . 2 . . . . 20 PRO HG2 . 7306 1 141 . 1 1 20 20 PRO HD2 H 1 3.906 0.005 . 2 . . . . 20 PRO HD1 . 7306 1 142 . 1 1 20 20 PRO HD3 H 1 3.799 0.005 . 2 . . . . 20 PRO HD2 . 7306 1 143 . 1 1 21 21 ALA H H 1 7.573 0.005 . 1 . . . . 21 ALA HN . 7306 1 144 . 1 1 21 21 ALA HA H 1 4.544 0.005 . 1 . . . . 21 ALA HA . 7306 1 145 . 1 1 21 21 ALA HB1 H 1 1.407 0.005 . 1 . . . . 21 ALA HB1 . 7306 1 146 . 1 1 21 21 ALA HB2 H 1 1.407 0.005 . 1 . . . . 21 ALA HB1 . 7306 1 147 . 1 1 21 21 ALA HB3 H 1 1.407 0.005 . 1 . . . . 21 ALA HB1 . 7306 1 148 . 1 1 22 22 GLU H H 1 7.892 0.005 . 1 . . . . 22 GLU HN . 7306 1 149 . 1 1 22 22 GLU HA H 1 5.478 0.005 . 1 . . . . 22 GLU HA . 7306 1 150 . 1 1 22 22 GLU HB2 H 1 2.283 0.005 . 2 . . . . 22 GLU HB1 . 7306 1 151 . 1 1 22 22 GLU HB3 H 1 2.281 0.005 . 2 . . . . 22 GLU HB2 . 7306 1 152 . 1 1 22 22 GLU HG2 H 1 2.749 0.005 . 2 . . . . 22 GLU HG1 . 7306 1 153 . 1 1 22 22 GLU HG3 H 1 2.352 0.005 . 2 . . . . 22 GLU HG2 . 7306 1 154 . 1 1 23 23 VAL H H 1 7.478 0.005 . 1 . . . . 23 VAL HN . 7306 1 155 . 1 1 23 23 VAL HA H 1 4.581 0.005 . 1 . . . . 23 VAL HA . 7306 1 156 . 1 1 23 23 VAL HB H 1 1.741 0.005 . 1 . . . . 23 VAL HB . 7306 1 157 . 1 1 23 23 VAL HG11 H 1 0.694 0.005 . 4 . . . . 23 VAL HG11 . 7306 1 158 . 1 1 23 23 VAL HG12 H 1 0.694 0.005 . 4 . . . . 23 VAL HG11 . 7306 1 159 . 1 1 23 23 VAL HG13 H 1 0.694 0.005 . 4 . . . . 23 VAL HG11 . 7306 1 160 . 1 1 23 23 VAL HG21 H 1 0.606 0.005 . 4 . . . . 23 VAL HG21 . 7306 1 161 . 1 1 23 23 VAL HG22 H 1 0.606 0.005 . 4 . . . . 23 VAL HG21 . 7306 1 162 . 1 1 23 23 VAL HG23 H 1 0.606 0.005 . 4 . . . . 23 VAL HG21 . 7306 1 163 . 1 1 24 24 THR H H 1 7.574 0.005 . 1 . . . . 24 THR HN . 7306 1 164 . 1 1 24 24 THR HA H 1 5.036 0.005 . 1 . . . . 24 THR HA . 7306 1 165 . 1 1 24 24 THR HB H 1 4.001 0.005 . 1 . . . . 24 THR HB . 7306 1 166 . 1 1 24 24 THR HG21 H 1 1.35 0.005 . 1 . . . . 24 THR HG21 . 7306 1 167 . 1 1 24 24 THR HG22 H 1 1.35 0.005 . 1 . . . . 24 THR HG21 . 7306 1 168 . 1 1 24 24 THR HG23 H 1 1.35 0.005 . 1 . . . . 24 THR HG21 . 7306 1 169 . 1 1 25 25 MET H H 1 9.543 0.005 . 1 . . . . 25 MET HN . 7306 1 170 . 1 1 25 25 MET HA H 1 4.902 0.005 . 1 . . . . 25 MET HA . 7306 1 171 . 1 1 25 25 MET HB2 H 1 2.149 0.005 . 2 . . . . 25 MET HB1 . 7306 1 172 . 1 1 25 25 MET HB3 H 1 1.925 0.005 . 2 . . . . 25 MET HB2 . 7306 1 173 . 1 1 25 25 MET HG2 H 1 2.758 0.005 . 2 . . . . 25 MET HG1 . 7306 1 174 . 1 1 25 25 MET HG3 H 1 2.566 0.005 . 2 . . . . 25 MET HG2 . 7306 1 175 . 1 1 25 25 MET HE1 H 1 2.16 0.005 . 1 . . . . 25 MET HE1 . 7306 1 176 . 1 1 25 25 MET HE2 H 1 2.16 0.005 . 1 . . . . 25 MET HE1 . 7306 1 177 . 1 1 25 25 MET HE3 H 1 2.16 0.005 . 1 . . . . 25 MET HE1 . 7306 1 178 . 1 1 26 26 LYS H H 1 8.243 0.005 . 1 . . . . 26 LYS HN . 7306 1 179 . 1 1 26 26 LYS HA H 1 4.913 0.005 . 1 . . . . 26 LYS HA . 7306 1 180 . 1 1 26 26 LYS HB2 H 1 1.745 0.005 . 1 . . . . 26 LYS HB1 . 7306 1 181 . 1 1 26 26 LYS HB3 H 1 1.745 0.005 . 1 . . . . 26 LYS HB2 . 7306 1 182 . 1 1 26 26 LYS HG2 H 1 1.443 0.005 . 1 . . . . 26 LYS HG1 . 7306 1 183 . 1 1 26 26 LYS HG3 H 1 1.443 0.005 . 1 . . . . 26 LYS HG2 . 7306 1 184 . 1 1 26 26 LYS HD2 H 1 1.662 0.005 . 1 . . . . 26 LYS HD1 . 7306 1 185 . 1 1 26 26 LYS HD3 H 1 1.662 0.005 . 1 . . . . 26 LYS HD2 . 7306 1 186 . 1 1 27 27 LYS H H 1 8.87 0.005 . 1 . . . . 27 LYS HN . 7306 1 187 . 1 1 27 27 LYS HA H 1 3.309 0.005 . 1 . . . . 27 LYS HA . 7306 1 188 . 1 1 27 27 LYS HB2 H 1 1.542 0.005 . 1 . . . . 27 LYS HB1 . 7306 1 189 . 1 1 27 27 LYS HB3 H 1 1.542 0.005 . 1 . . . . 27 LYS HB2 . 7306 1 190 . 1 1 27 27 LYS HG2 H 1 1.137 0.005 . 1 . . . . 27 LYS HG1 . 7306 1 191 . 1 1 27 27 LYS HG3 H 1 1.137 0.005 . 1 . . . . 27 LYS HG2 . 7306 1 192 . 1 1 27 27 LYS HD2 H 1 1.628 0.005 . 1 . . . . 27 LYS HD1 . 7306 1 193 . 1 1 27 27 LYS HD3 H 1 1.628 0.005 . 1 . . . . 27 LYS HD2 . 7306 1 194 . 1 1 27 27 LYS HE2 H 1 2.972 0.005 . 2 . . . . 27 LYS HE1 . 7306 1 195 . 1 1 27 27 LYS HE3 H 1 2.973 0.005 . 2 . . . . 27 LYS HE2 . 7306 1 196 . 1 1 27 27 LYS HZ1 H 1 7.478 0.005 . 1 . . . . 27 LYS HZ1 . 7306 1 197 . 1 1 27 27 LYS HZ2 H 1 7.478 0.005 . 1 . . . . 27 LYS HZ1 . 7306 1 198 . 1 1 27 27 LYS HZ3 H 1 7.478 0.005 . 1 . . . . 27 LYS HZ1 . 7306 1 199 . 1 1 28 28 GLY H H 1 8.895 0.005 . 1 . . . . 28 GLY HN . 7306 1 200 . 1 1 28 28 GLY HA2 H 1 4.476 0.005 . 2 . . . . 28 GLY HA1 . 7306 1 201 . 1 1 28 28 GLY HA3 H 1 3.531 0.005 . 2 . . . . 28 GLY HA2 . 7306 1 202 . 1 1 29 29 ASP H H 1 8.429 0.005 . 1 . . . . 29 ASP HN . 7306 1 203 . 1 1 29 29 ASP HA H 1 4.575 0.005 . 1 . . . . 29 ASP HA . 7306 1 204 . 1 1 29 29 ASP HB2 H 1 2.898 0.005 . 2 . . . . 29 ASP HB1 . 7306 1 205 . 1 1 29 29 ASP HB3 H 1 2.629 0.005 . 2 . . . . 29 ASP HB2 . 7306 1 206 . 1 1 30 30 ILE H H 1 8.217 0.005 . 1 . . . . 30 ILE HN . 7306 1 207 . 1 1 30 30 ILE HA H 1 4.982 0.005 . 1 . . . . 30 ILE HA . 7306 1 208 . 1 1 30 30 ILE HB H 1 1.808 0.005 . 1 . . . . 30 ILE HB . 7306 1 209 . 1 1 30 30 ILE HG12 H 1 1.139 0.005 . 1 . . . . 30 ILE HG11 . 7306 1 210 . 1 1 30 30 ILE HG13 H 1 1.139 0.005 . 9 . . . . 30 ILE HG12 . 7306 1 211 . 1 1 30 30 ILE HG21 H 1 0.9 0.005 . 4 . . . . 30 ILE HG21 . 7306 1 212 . 1 1 30 30 ILE HG22 H 1 0.9 0.005 . 4 . . . . 30 ILE HG21 . 7306 1 213 . 1 1 30 30 ILE HG23 H 1 0.9 0.005 . 4 . . . . 30 ILE HG21 . 7306 1 214 . 1 1 30 30 ILE HD11 H 1 0.898 0.005 . 1 . . . . 30 ILE HD11 . 7306 1 215 . 1 1 30 30 ILE HD12 H 1 0.898 0.005 . 1 . . . . 30 ILE HD11 . 7306 1 216 . 1 1 30 30 ILE HD13 H 1 0.898 0.005 . 1 . . . . 30 ILE HD11 . 7306 1 217 . 1 1 31 31 LEU H H 1 9.35 0.005 . 1 . . . . 31 LEU HN . 7306 1 218 . 1 1 31 31 LEU HA H 1 5.01 0.005 . 1 . . . . 31 LEU HA . 7306 1 219 . 1 1 31 31 LEU HB2 H 1 1.628 0.005 . 2 . . . . 31 LEU HB1 . 7306 1 220 . 1 1 31 31 LEU HB3 H 1 1.469 0.005 . 2 . . . . 31 LEU HB2 . 7306 1 221 . 1 1 31 31 LEU HG H 1 1.584 0.005 . 1 . . . . 31 LEU HG . 7306 1 222 . 1 1 31 31 LEU HD11 H 1 0.904 0.005 . 4 . . . . 31 LEU HD11 . 7306 1 223 . 1 1 31 31 LEU HD12 H 1 0.904 0.005 . 4 . . . . 31 LEU HD11 . 7306 1 224 . 1 1 31 31 LEU HD13 H 1 0.904 0.005 . 4 . . . . 31 LEU HD11 . 7306 1 225 . 1 1 31 31 LEU HD21 H 1 0.904 0.005 . 2 . . . . 31 LEU HD21 . 7306 1 226 . 1 1 31 31 LEU HD22 H 1 0.904 0.005 . 2 . . . . 31 LEU HD21 . 7306 1 227 . 1 1 31 31 LEU HD23 H 1 0.904 0.005 . 2 . . . . 31 LEU HD21 . 7306 1 228 . 1 1 32 32 THR H H 1 8.412 0.005 . 1 . . . . 32 THR HN . 7306 1 229 . 1 1 32 32 THR HA H 1 4.61 0.005 . 1 . . . . 32 THR HA . 7306 1 230 . 1 1 32 32 THR HB H 1 4.048 0.005 . 1 . . . . 32 THR HB . 7306 1 231 . 1 1 32 32 THR HG21 H 1 1.14 0.005 . 1 . . . . 32 THR HG21 . 7306 1 232 . 1 1 32 32 THR HG22 H 1 1.14 0.005 . 1 . . . . 32 THR HG21 . 7306 1 233 . 1 1 32 32 THR HG23 H 1 1.14 0.005 . 1 . . . . 32 THR HG21 . 7306 1 234 . 1 1 33 33 LEU H H 1 9.018 0.005 . 1 . . . . 33 LEU HN . 7306 1 235 . 1 1 33 33 LEU HA H 1 4.387 0.005 . 1 . . . . 33 LEU HA . 7306 1 236 . 1 1 33 33 LEU HB2 H 1 1.818 0.005 . 1 . . . . 33 LEU HB1 . 7306 1 237 . 1 1 33 33 LEU HB3 H 1 1.818 0.005 . 1 . . . . 33 LEU HB2 . 7306 1 238 . 1 1 33 33 LEU HG H 1 1.141 0.005 . 1 . . . . 33 LEU HG . 7306 1 239 . 1 1 33 33 LEU HD11 H 1 0.385 0.005 . 2 . . . . 33 LEU HD11 . 7306 1 240 . 1 1 33 33 LEU HD12 H 1 0.385 0.005 . 2 . . . . 33 LEU HD11 . 7306 1 241 . 1 1 33 33 LEU HD13 H 1 0.385 0.005 . 2 . . . . 33 LEU HD11 . 7306 1 242 . 1 1 33 33 LEU HD21 H 1 0.7 0.005 . 2 . . . . 33 LEU HD21 . 7306 1 243 . 1 1 33 33 LEU HD22 H 1 0.7 0.005 . 2 . . . . 33 LEU HD21 . 7306 1 244 . 1 1 33 33 LEU HD23 H 1 0.7 0.005 . 2 . . . . 33 LEU HD21 . 7306 1 245 . 1 1 34 34 LEU H H 1 9.068 0.005 . 1 . . . . 34 LEU HN . 7306 1 246 . 1 1 34 34 LEU HA H 1 4.518 0.005 . 1 . . . . 34 LEU HA . 7306 1 247 . 1 1 34 34 LEU HB2 H 1 1.421 0.005 . 2 . . . . 34 LEU HB1 . 7306 1 248 . 1 1 34 34 LEU HB3 H 1 1.14 0.005 . 2 . . . . 34 LEU HB2 . 7306 1 249 . 1 1 34 34 LEU HG H 1 1.421 0.005 . 1 . . . . 34 LEU HG . 7306 1 250 . 1 1 34 34 LEU HD11 H 1 0.69 0.005 . 2 . . . . 34 LEU HD11 . 7306 1 251 . 1 1 34 34 LEU HD12 H 1 0.69 0.005 . 2 . . . . 34 LEU HD11 . 7306 1 252 . 1 1 34 34 LEU HD13 H 1 0.69 0.005 . 2 . . . . 34 LEU HD11 . 7306 1 253 . 1 1 34 34 LEU HD21 H 1 0.735 0.005 . 2 . . . . 34 LEU HD21 . 7306 1 254 . 1 1 34 34 LEU HD22 H 1 0.735 0.005 . 2 . . . . 34 LEU HD21 . 7306 1 255 . 1 1 34 34 LEU HD23 H 1 0.735 0.005 . 2 . . . . 34 LEU HD21 . 7306 1 256 . 1 1 35 35 ASN H H 1 7.566 0.005 . 1 . . . . 35 ASN HN . 7306 1 257 . 1 1 35 35 ASN HA H 1 4.725 0.005 . 1 . . . . 35 ASN HA . 7306 1 258 . 1 1 35 35 ASN HB2 H 1 2.805 0.005 . 2 . . . . 35 ASN HB1 . 7306 1 259 . 1 1 35 35 ASN HB3 H 1 2.618 0.005 . 2 . . . . 35 ASN HB2 . 7306 1 260 . 1 1 35 35 ASN HD21 H 1 7.944 0.005 . 2 . . . . 35 ASN HD21 . 7306 1 261 . 1 1 35 35 ASN HD22 H 1 7.211 0.005 . 2 . . . . 35 ASN HD22 . 7306 1 262 . 1 1 36 36 SER H H 1 9.169 0.005 . 1 . . . . 36 SER HN . 7306 1 263 . 1 1 36 36 SER HA H 1 3.985 0.005 . 1 . . . . 36 SER HA . 7306 1 264 . 1 1 36 36 SER HB2 H 1 2.9 0.005 . 2 . . . . 36 SER HB1 . 7306 1 265 . 1 1 36 36 SER HB3 H 1 2.04 0.005 . 2 . . . . 36 SER HB2 . 7306 1 266 . 1 1 37 37 THR H H 1 8.205 0.005 . 1 . . . . 37 THR HN . 7306 1 267 . 1 1 37 37 THR HA H 1 4.002 0.005 . 1 . . . . 37 THR HA . 7306 1 268 . 1 1 37 37 THR HB H 1 4.297 0.005 . 1 . . . . 37 THR HB . 7306 1 269 . 1 1 37 37 THR HG21 H 1 1.34 0.005 . 1 . . . . 37 THR HG21 . 7306 1 270 . 1 1 37 37 THR HG22 H 1 1.34 0.005 . 1 . . . . 37 THR HG21 . 7306 1 271 . 1 1 37 37 THR HG23 H 1 1.34 0.005 . 1 . . . . 37 THR HG21 . 7306 1 272 . 1 1 38 38 ASN H H 1 8.717 0.005 . 1 . . . . 38 ASN HN . 7306 1 273 . 1 1 38 38 ASN HA H 1 4.829 0.005 . 1 . . . . 38 ASN HA . 7306 1 274 . 1 1 38 38 ASN HB2 H 1 3.898 0.005 . 2 . . . . 38 ASN HB1 . 7306 1 275 . 1 1 38 38 ASN HB3 H 1 2.807 0.005 . 2 . . . . 38 ASN HB2 . 7306 1 276 . 1 1 38 38 ASN HD21 H 1 7.966 0.005 . 2 . . . . 38 ASN HD21 . 7306 1 277 . 1 1 38 38 ASN HD22 H 1 7.53 0.005 . 2 . . . . 38 ASN HD22 . 7306 1 278 . 1 1 39 39 LYS H H 1 8.515 0.005 . 1 . . . . 39 LYS HN . 7306 1 279 . 1 1 39 39 LYS HA H 1 4.261 0.005 . 1 . . . . 39 LYS HA . 7306 1 280 . 1 1 39 39 LYS HB2 H 1 1.833 0.005 . 2 . . . . 39 LYS HB1 . 7306 1 281 . 1 1 39 39 LYS HB3 H 1 1.797 0.005 . 2 . . . . 39 LYS HB2 . 7306 1 282 . 1 1 39 39 LYS HG2 H 1 1.457 0.005 . 2 . . . . 39 LYS HG1 . 7306 1 283 . 1 1 39 39 LYS HG3 H 1 1.456 0.005 . 2 . . . . 39 LYS HG2 . 7306 1 284 . 1 1 39 39 LYS HD2 H 1 1.713 0.005 . 1 . . . . 39 LYS HD1 . 7306 1 285 . 1 1 39 39 LYS HD3 H 1 1.713 0.005 . 1 . . . . 39 LYS HD2 . 7306 1 286 . 1 1 39 39 LYS HE2 H 1 3.045 0.005 . 1 . . . . 39 LYS HE1 . 7306 1 287 . 1 1 39 39 LYS HE3 H 1 3.045 0.005 . 1 . . . . 39 LYS HE2 . 7306 1 288 . 1 1 39 39 LYS HZ1 H 1 7.561 0.005 . 1 . . . . 39 LYS HZ1 . 7306 1 289 . 1 1 39 39 LYS HZ2 H 1 7.561 0.005 . 1 . . . . 39 LYS HZ1 . 7306 1 290 . 1 1 39 39 LYS HZ3 H 1 7.561 0.005 . 1 . . . . 39 LYS HZ1 . 7306 1 291 . 1 1 40 40 ASP H H 1 8.457 0.005 . 1 . . . . 40 ASP HN . 7306 1 292 . 1 1 40 40 ASP HA H 1 4.549 0.005 . 1 . . . . 40 ASP HA . 7306 1 293 . 1 1 40 40 ASP HB2 H 1 2.887 0.005 . 2 . . . . 40 ASP HB1 . 7306 1 294 . 1 1 40 40 ASP HB3 H 1 1.98 0.005 . 2 . . . . 40 ASP HB2 . 7306 1 295 . 1 1 41 41 TRP H H 1 8.314 0.005 . 1 . . . . 41 TRP HN . 7306 1 296 . 1 1 41 41 TRP HA H 1 5.21 0.005 . 1 . . . . 41 TRP HA . 7306 1 297 . 1 1 41 41 TRP HB2 H 1 3.023 0.005 . 2 . . . . 41 TRP HB1 . 7306 1 298 . 1 1 41 41 TRP HB3 H 1 2.757 0.005 . 2 . . . . 41 TRP HB2 . 7306 1 299 . 1 1 41 41 TRP HD1 H 1 7.045 0.005 . 1 . . . . 41 TRP HD1 . 7306 1 300 . 1 1 41 41 TRP HE1 H 1 9.863 0.005 . 2 . . . . 41 TRP HE1 . 7306 1 301 . 1 1 41 41 TRP HE3 H 1 6.939 0.005 . 3 . . . . 41 TRP HE3 . 7306 1 302 . 1 1 41 41 TRP HZ2 H 1 6.389 0.005 . 3 . . . . 41 TRP HZ2 . 7306 1 303 . 1 1 41 41 TRP HZ3 H 1 6.574 0.005 . 3 . . . . 41 TRP HZ3 . 7306 1 304 . 1 1 41 41 TRP HH2 H 1 7.26 0.005 . 1 . . . . 41 TRP HH2 . 7306 1 305 . 1 1 42 42 TRP H H 1 9.571 0.005 . 1 . . . . 42 TRP HN . 7306 1 306 . 1 1 42 42 TRP HA H 1 5.567 0.005 . 1 . . . . 42 TRP HA . 7306 1 307 . 1 1 42 42 TRP HB2 H 1 2.99 0.005 . 2 . . . . 42 TRP HB1 . 7306 1 308 . 1 1 42 42 TRP HB3 H 1 2.813 0.005 . 2 . . . . 42 TRP HB2 . 7306 1 309 . 1 1 42 42 TRP HD1 H 1 7.67 0.005 . 1 . . . . 42 TRP HD1 . 7306 1 310 . 1 1 42 42 TRP HE1 H 1 9.307 0.005 . 2 . . . . 42 TRP HE1 . 7306 1 311 . 1 1 42 42 TRP HE3 H 1 7.115 0.005 . 3 . . . . 42 TRP HE3 . 7306 1 312 . 1 1 42 42 TRP HZ2 H 1 7.558 0.005 . 3 . . . . 42 TRP HZ2 . 7306 1 313 . 1 1 42 42 TRP HZ3 H 1 6.727 0.005 . 3 . . . . 42 TRP HZ3 . 7306 1 314 . 1 1 42 42 TRP HH2 H 1 7.223 0.005 . 1 . . . . 42 TRP HH2 . 7306 1 315 . 1 1 43 43 LYS H H 1 8.866 0.005 . 1 . . . . 43 LYS HN . 7306 1 316 . 1 1 43 43 LYS HA H 1 4.237 0.005 . 1 . . . . 43 LYS HA . 7306 1 317 . 1 1 43 43 LYS HB2 H 1 1.469 0.005 . 2 . . . . 43 LYS HB1 . 7306 1 318 . 1 1 43 43 LYS HB3 H 1 0.993 0.005 . 2 . . . . 43 LYS HB2 . 7306 1 319 . 1 1 43 43 LYS HG2 H 1 0.97 0.005 . 2 . . . . 43 LYS HG1 . 7306 1 320 . 1 1 43 43 LYS HG3 H 1 0.135 0.005 . 2 . . . . 43 LYS HG2 . 7306 1 321 . 1 1 43 43 LYS HD2 H 1 1.308 0.005 . 1 . . . . 43 LYS HD1 . 7306 1 322 . 1 1 43 43 LYS HD3 H 1 1.308 0.005 . 1 . . . . 43 LYS HD2 . 7306 1 323 . 1 1 43 43 LYS HE2 H 1 2.618 0.005 . 2 . . . . 43 LYS HE1 . 7306 1 324 . 1 1 43 43 LYS HE3 H 1 2.529 0.005 . 2 . . . . 43 LYS HE2 . 7306 1 325 . 1 1 43 43 LYS HZ1 H 1 7.656 0.005 . 1 . . . . 43 LYS HZ1 . 7306 1 326 . 1 1 43 43 LYS HZ2 H 1 7.656 0.005 . 1 . . . . 43 LYS HZ1 . 7306 1 327 . 1 1 43 43 LYS HZ3 H 1 7.656 0.005 . 1 . . . . 43 LYS HZ1 . 7306 1 328 . 1 1 44 44 VAL H H 1 9.372 0.005 . 1 . . . . 44 VAL HN . 7306 1 329 . 1 1 44 44 VAL HA H 1 5.383 0.005 . 1 . . . . 44 VAL HA . 7306 1 330 . 1 1 44 44 VAL HB H 1 2.106 0.005 . 1 . . . . 44 VAL HB . 7306 1 331 . 1 1 44 44 VAL HG11 H 1 0.824 0.005 . 2 . . . . 44 VAL HG11 . 7306 1 332 . 1 1 44 44 VAL HG12 H 1 0.824 0.005 . 2 . . . . 44 VAL HG11 . 7306 1 333 . 1 1 44 44 VAL HG13 H 1 0.824 0.005 . 2 . . . . 44 VAL HG11 . 7306 1 334 . 1 1 44 44 VAL HG21 H 1 0.777 0.005 . 2 . . . . 44 VAL HG21 . 7306 1 335 . 1 1 44 44 VAL HG22 H 1 0.777 0.005 . 2 . . . . 44 VAL HG21 . 7306 1 336 . 1 1 44 44 VAL HG23 H 1 0.777 0.005 . 2 . . . . 44 VAL HG21 . 7306 1 337 . 1 1 45 45 GLU H H 1 8.612 0.005 . 1 . . . . 45 GLU HN . 7306 1 338 . 1 1 45 45 GLU HA H 1 5.414 0.005 . 1 . . . . 45 GLU HA . 7306 1 339 . 1 1 45 45 GLU HB2 H 1 1.962 0.005 . 2 . . . . 45 GLU HB1 . 7306 1 340 . 1 1 45 45 GLU HB3 H 1 1.858 0.005 . 2 . . . . 45 GLU HB2 . 7306 1 341 . 1 1 45 45 GLU HG2 H 1 2.339 0.005 . 2 . . . . 45 GLU HG1 . 7306 1 342 . 1 1 45 45 GLU HG3 H 1 2.235 0.005 . 2 . . . . 45 GLU HG2 . 7306 1 343 . 1 1 46 46 VAL H H 1 8.916 0.005 . 1 . . . . 46 VAL HN . 7306 1 344 . 1 1 46 46 VAL HA H 1 4.495 0.005 . 1 . . . . 46 VAL HA . 7306 1 345 . 1 1 46 46 VAL HB H 1 2.118 0.005 . 1 . . . . 46 VAL HB . 7306 1 346 . 1 1 46 46 VAL HG11 H 1 1.029 0.005 . 4 . . . . 46 VAL HG11 . 7306 1 347 . 1 1 46 46 VAL HG12 H 1 1.029 0.005 . 4 . . . . 46 VAL HG11 . 7306 1 348 . 1 1 46 46 VAL HG13 H 1 1.029 0.005 . 4 . . . . 46 VAL HG11 . 7306 1 349 . 1 1 46 46 VAL HG21 H 1 0.961 0.005 . 4 . . . . 46 VAL HG21 . 7306 1 350 . 1 1 46 46 VAL HG22 H 1 0.961 0.005 . 4 . . . . 46 VAL HG21 . 7306 1 351 . 1 1 46 46 VAL HG23 H 1 0.961 0.005 . 4 . . . . 46 VAL HG21 . 7306 1 352 . 1 1 47 47 ASN H H 1 9.456 0.005 . 1 . . . . 47 ASN HN . 7306 1 353 . 1 1 47 47 ASN HA H 1 4.334 0.005 . 1 . . . . 47 ASN HA . 7306 1 354 . 1 1 47 47 ASN HB2 H 1 3.056 0.005 . 2 . . . . 47 ASN HB1 . 7306 1 355 . 1 1 47 47 ASN HB3 H 1 2.872 0.005 . 2 . . . . 47 ASN HB2 . 7306 1 356 . 1 1 47 47 ASN HD21 H 1 7.636 0.005 . 2 . . . . 47 ASN HD21 . 7306 1 357 . 1 1 47 47 ASN HD22 H 1 7.013 0.005 . 2 . . . . 47 ASN HD22 . 7306 1 358 . 1 1 48 48 ASP H H 1 8.72 0.005 . 1 . . . . 48 ASP HN . 7306 1 359 . 1 1 48 48 ASP HA H 1 4.511 0.005 . 1 . . . . 48 ASP HA . 7306 1 360 . 1 1 48 48 ASP HB2 H 1 3.114 0.005 . 2 . . . . 48 ASP HB1 . 7306 1 361 . 1 1 48 48 ASP HB3 H 1 3.0 0.005 . 2 . . . . 48 ASP HB2 . 7306 1 362 . 1 1 49 49 ARG H H 1 8.186 0.005 . 1 . . . . 49 ARG HN . 7306 1 363 . 1 1 49 49 ARG HA H 1 4.692 0.005 . 1 . . . . 49 ARG HA . 7306 1 364 . 1 1 49 49 ARG HB2 H 1 1.896 0.005 . 1 . . . . 49 ARG HB1 . 7306 1 365 . 1 1 49 49 ARG HB3 H 1 1.896 0.005 . 1 . . . . 49 ARG HB2 . 7306 1 366 . 1 1 49 49 ARG HG2 H 1 1.743 0.005 . 2 . . . . 49 ARG HG1 . 7306 1 367 . 1 1 49 49 ARG HG3 H 1 1.674 0.005 . 2 . . . . 49 ARG HG2 . 7306 1 368 . 1 1 49 49 ARG HD2 H 1 3.307 0.005 . 1 . . . . 49 ARG HD1 . 7306 1 369 . 1 1 49 49 ARG HD3 H 1 3.307 0.005 . 1 . . . . 49 ARG HD2 . 7306 1 370 . 1 1 49 49 ARG HE H 1 7.22 0.005 . 1 . . . . 49 ARG HE . 7306 1 371 . 1 1 50 50 GLN H H 1 8.554 0.005 . 1 . . . . 50 GLN HN . 7306 1 372 . 1 1 50 50 GLN HA H 1 5.529 0.005 . 1 . . . . 50 GLN HA . 7306 1 373 . 1 1 50 50 GLN HB2 H 1 1.867 0.005 . 2 . . . . 50 GLN HB1 . 7306 1 374 . 1 1 50 50 GLN HB3 H 1 1.712 0.005 . 2 . . . . 50 GLN HB2 . 7306 1 375 . 1 1 50 50 GLN HG2 H 1 2.241 0.005 . 2 . . . . 50 GLN HG1 . 7306 1 376 . 1 1 50 50 GLN HG3 H 1 2.099 0.005 . 2 . . . . 50 GLN HG2 . 7306 1 377 . 1 1 50 50 GLN HE21 H 1 7.186 0.005 . 2 . . . . 50 GLN HE21 . 7306 1 378 . 1 1 50 50 GLN HE22 H 1 6.7 0.005 . 2 . . . . 50 GLN HE22 . 7306 1 379 . 1 1 51 51 GLY H H 1 8.606 0.005 . 1 . . . . 51 GLY HN . 7306 1 380 . 1 1 51 51 GLY HA2 H 1 3.911 0.005 . 2 . . . . 51 GLY HA1 . 7306 1 381 . 1 1 51 51 GLY HA3 H 1 3.955 0.005 . 2 . . . . 51 GLY HA2 . 7306 1 382 . 1 1 52 52 PHE H H 1 9.384 0.005 . 1 . . . . 52 PHE HN . 7306 1 383 . 1 1 52 52 PHE HA H 1 5.55 0.005 . 1 . . . . 52 PHE HA . 7306 1 384 . 1 1 52 52 PHE HB2 H 1 3.004 0.005 . 2 . . . . 52 PHE HB1 . 7306 1 385 . 1 1 52 52 PHE HB3 H 1 2.439 0.005 . 2 . . . . 52 PHE HB2 . 7306 1 386 . 1 1 52 52 PHE HD1 H 1 7.225 0.005 . 1 . . . . 52 PHE HD1 . 7306 1 387 . 1 1 52 52 PHE HD2 H 1 7.225 0.005 . 1 . . . . 52 PHE HD2 . 7306 1 388 . 1 1 52 52 PHE HE1 H 1 7.39 0.005 . 1 . . . . 52 PHE HE1 . 7306 1 389 . 1 1 52 52 PHE HE2 H 1 7.39 0.005 . 1 . . . . 52 PHE HE2 . 7306 1 390 . 1 1 52 52 PHE HZ H 1 7.35 0.005 . 1 . . . . 52 PHE HZ . 7306 1 391 . 1 1 53 53 VAL H H 1 9.07 0.005 . 1 . . . . 53 VAL HN . 7306 1 392 . 1 1 53 53 VAL HA H 1 4.788 0.005 . 1 . . . . 53 VAL HA . 7306 1 393 . 1 1 53 53 VAL HB H 1 1.803 0.005 . 1 . . . . 53 VAL HB . 7306 1 394 . 1 1 53 53 VAL HG11 H 1 1.146 0.005 . 2 . . . . 53 VAL HG11 . 7306 1 395 . 1 1 53 53 VAL HG12 H 1 1.146 0.005 . 2 . . . . 53 VAL HG11 . 7306 1 396 . 1 1 53 53 VAL HG13 H 1 1.146 0.005 . 2 . . . . 53 VAL HG11 . 7306 1 397 . 1 1 53 53 VAL HG21 H 1 0.691 0.005 . 2 . . . . 53 VAL HG21 . 7306 1 398 . 1 1 53 53 VAL HG22 H 1 0.691 0.005 . 2 . . . . 53 VAL HG21 . 7306 1 399 . 1 1 53 53 VAL HG23 H 1 0.691 0.005 . 2 . . . . 53 VAL HG21 . 7306 1 400 . 1 1 54 54 PRO HA H 1 3.88 0.005 . 1 . . . . 54 PRO HA . 7306 1 401 . 1 1 54 54 PRO HB2 H 1 1.194 0.005 . 2 . . . . 54 PRO HB1 . 7306 1 402 . 1 1 54 54 PRO HB3 H 1 1.345 0.005 . 2 . . . . 54 PRO HB2 . 7306 1 403 . 1 1 54 54 PRO HG2 H 1 0.289 0.005 . 2 . . . . 54 PRO HG1 . 7306 1 404 . 1 1 54 54 PRO HG3 H 1 0.602 0.005 . 2 . . . . 54 PRO HG2 . 7306 1 405 . 1 1 54 54 PRO HD2 H 1 2.077 0.005 . 2 . . . . 54 PRO HD1 . 7306 1 406 . 1 1 54 54 PRO HD3 H 1 2.228 0.005 . 2 . . . . 54 PRO HD2 . 7306 1 407 . 1 1 55 55 ALA H H 1 7.735 0.005 . 1 . . . . 55 ALA HN . 7306 1 408 . 1 1 55 55 ALA HA H 1 2.726 0.005 . 1 . . . . 55 ALA HA . 7306 1 409 . 1 1 55 55 ALA HB1 H 1 -0.041 0.005 . 1 . . . . 55 ALA HB1 . 7306 1 410 . 1 1 55 55 ALA HB2 H 1 -0.041 0.005 . 1 . . . . 55 ALA HB1 . 7306 1 411 . 1 1 55 55 ALA HB3 H 1 -0.041 0.005 . 1 . . . . 55 ALA HB1 . 7306 1 412 . 1 1 56 56 ALA H H 1 8.208 0.005 . 1 . . . . 56 ALA HN . 7306 1 413 . 1 1 56 56 ALA HA H 1 4.118 0.005 . 1 . . . . 56 ALA HA . 7306 1 414 . 1 1 56 56 ALA HB1 H 1 1.349 0.005 . 1 . . . . 56 ALA HB1 . 7306 1 415 . 1 1 56 56 ALA HB2 H 1 1.349 0.005 . 1 . . . . 56 ALA HB1 . 7306 1 416 . 1 1 56 56 ALA HB3 H 1 1.349 0.005 . 1 . . . . 56 ALA HB1 . 7306 1 417 . 1 1 57 57 TYR H H 1 7.923 0.005 . 1 . . . . 57 TYR HN . 7306 1 418 . 1 1 57 57 TYR HA H 1 4.756 0.005 . 1 . . . . 57 TYR HA . 7306 1 419 . 1 1 57 57 TYR HB2 H 1 3.351 0.005 . 2 . . . . 57 TYR HB1 . 7306 1 420 . 1 1 57 57 TYR HB3 H 1 3.179 0.005 . 2 . . . . 57 TYR HB2 . 7306 1 421 . 1 1 57 57 TYR HD1 H 1 6.993 0.005 . 1 . . . . 57 TYR HD1 . 7306 1 422 . 1 1 57 57 TYR HD2 H 1 6.993 0.005 . 1 . . . . 57 TYR HD2 . 7306 1 423 . 1 1 57 57 TYR HE1 H 1 6.897 0.005 . 1 . . . . 57 TYR HE1 . 7306 1 424 . 1 1 57 57 TYR HE2 H 1 6.897 0.005 . 1 . . . . 57 TYR HE2 . 7306 1 425 . 1 1 58 58 VAL H H 1 7.482 0.005 . 1 . . . . 58 VAL HN . 7306 1 426 . 1 1 58 58 VAL HA H 1 5.549 0.005 . 1 . . . . 58 VAL HA . 7306 1 427 . 1 1 58 58 VAL HB H 1 1.928 0.005 . 1 . . . . 58 VAL HB . 7306 1 428 . 1 1 58 58 VAL HG11 H 1 0.824 0.005 . 4 . . . . 58 VAL HG11 . 7306 1 429 . 1 1 58 58 VAL HG12 H 1 0.824 0.005 . 4 . . . . 58 VAL HG11 . 7306 1 430 . 1 1 58 58 VAL HG13 H 1 0.824 0.005 . 4 . . . . 58 VAL HG11 . 7306 1 431 . 1 1 58 58 VAL HG21 H 1 0.775 0.005 . 2 . . . . 58 VAL HG21 . 7306 1 432 . 1 1 58 58 VAL HG22 H 1 0.775 0.005 . 2 . . . . 58 VAL HG21 . 7306 1 433 . 1 1 58 58 VAL HG23 H 1 0.775 0.005 . 2 . . . . 58 VAL HG21 . 7306 1 434 . 1 1 59 59 LYS H H 1 8.659 0.005 . 1 . . . . 59 LYS HN . 7306 1 435 . 1 1 59 59 LYS HA H 1 4.847 0.005 . 1 . . . . 59 LYS HA . 7306 1 436 . 1 1 59 59 LYS HB2 H 1 1.756 0.005 . 1 . . . . 59 LYS HB1 . 7306 1 437 . 1 1 59 59 LYS HB3 H 1 1.756 0.005 . 1 . . . . 59 LYS HB2 . 7306 1 438 . 1 1 59 59 LYS HG2 H 1 1.46 0.005 . 2 . . . . 59 LYS HG1 . 7306 1 439 . 1 1 59 59 LYS HG3 H 1 1.383 0.005 . 2 . . . . 59 LYS HG2 . 7306 1 440 . 1 1 59 59 LYS HD2 H 1 1.715 0.005 . 1 . . . . 59 LYS HD1 . 7306 1 441 . 1 1 59 59 LYS HD3 H 1 1.715 0.005 . 1 . . . . 59 LYS HD2 . 7306 1 442 . 1 1 59 59 LYS HE2 H 1 2.958 0.005 . 1 . . . . 59 LYS HE1 . 7306 1 443 . 1 1 59 59 LYS HE3 H 1 2.958 0.005 . 1 . . . . 59 LYS HE2 . 7306 1 444 . 1 1 59 59 LYS HZ1 H 1 7.593 0.005 . 1 . . . . 59 LYS HZ1 . 7306 1 445 . 1 1 59 59 LYS HZ2 H 1 7.593 0.005 . 1 . . . . 59 LYS HZ1 . 7306 1 446 . 1 1 59 59 LYS HZ3 H 1 7.593 0.005 . 1 . . . . 59 LYS HZ1 . 7306 1 447 . 1 1 60 60 LYS H H 1 9.246 0.005 . 1 . . . . 60 LYS HN . 7306 1 448 . 1 1 60 60 LYS HA H 1 4.479 0.005 . 1 . . . . 60 LYS HA . 7306 1 449 . 1 1 60 60 LYS HB2 H 1 2.056 0.005 . 2 . . . . 60 LYS HB1 . 7306 1 450 . 1 1 60 60 LYS HB3 H 1 1.852 0.005 . 2 . . . . 60 LYS HB2 . 7306 1 451 . 1 1 60 60 LYS HG2 H 1 1.39 0.005 . 1 . . . . 60 LYS HG1 . 7306 1 452 . 1 1 60 60 LYS HG3 H 1 1.39 0.005 . 1 . . . . 60 LYS HG2 . 7306 1 453 . 1 1 60 60 LYS HD2 H 1 1.755 0.005 . 2 . . . . 60 LYS HD1 . 7306 1 454 . 1 1 60 60 LYS HD3 H 1 1.684 0.005 . 2 . . . . 60 LYS HD2 . 7306 1 455 . 1 1 60 60 LYS HE2 H 1 2.846 0.005 . 2 . . . . 60 LYS HE1 . 7306 1 456 . 1 1 60 60 LYS HE3 H 1 2.726 0.005 . 2 . . . . 60 LYS HE2 . 7306 1 457 . 1 1 61 61 LEU H H 1 8.506 0.005 . 1 . . . . 61 LEU HN . 7306 1 458 . 1 1 61 61 LEU HA H 1 4.457 0.005 . 1 . . . . 61 LEU HA . 7306 1 459 . 1 1 61 61 LEU HB2 H 1 1.557 0.005 . 1 . . . . 61 LEU HB1 . 7306 1 460 . 1 1 61 61 LEU HB3 H 1 1.557 0.005 . 1 . . . . 61 LEU HB2 . 7306 1 461 . 1 1 61 61 LEU HG H 1 1.639 0.005 . 1 . . . . 61 LEU HG . 7306 1 462 . 1 1 61 61 LEU HD11 H 1 0.878 0.005 . 4 . . . . 61 LEU HD11 . 7306 1 463 . 1 1 61 61 LEU HD12 H 1 0.878 0.005 . 4 . . . . 61 LEU HD11 . 7306 1 464 . 1 1 61 61 LEU HD13 H 1 0.878 0.005 . 4 . . . . 61 LEU HD11 . 7306 1 465 . 1 1 61 61 LEU HD21 H 1 0.878 0.005 . 4 . . . . 61 LEU HD21 . 7306 1 466 . 1 1 61 61 LEU HD22 H 1 0.878 0.005 . 4 . . . . 61 LEU HD21 . 7306 1 467 . 1 1 61 61 LEU HD23 H 1 0.878 0.005 . 4 . . . . 61 LEU HD21 . 7306 1 468 . 1 1 62 62 ASP H H 1 8.079 0.005 . 1 . . . . 62 ASP HN . 7306 1 469 . 1 1 62 62 ASP HA H 1 4.532 0.005 . 1 . . . . 62 ASP HA . 7306 1 470 . 1 1 62 62 ASP HB2 H 1 2.983 0.005 . 1 . . . . 62 ASP HB1 . 7306 1 471 . 1 1 62 62 ASP HB3 H 1 2.983 0.005 . 1 . . . . 62 ASP HB2 . 7306 1 stop_ loop_ _Ambiguous_atom_chem_shift.Ambiguous_shift_set_ID _Ambiguous_atom_chem_shift.Atom_chem_shift_ID _Ambiguous_atom_chem_shift.Entry_ID _Ambiguous_atom_chem_shift.Assigned_chem_shift_list_ID 1 46 7306 1 1 47 7306 1 1 48 7306 1 1 49 7306 1 1 50 7306 1 1 51 7306 1 2 55 7306 1 2 56 7306 1 2 57 7306 1 2 58 7306 1 2 59 7306 1 2 60 7306 1 3 66 7306 1 3 67 7306 1 3 68 7306 1 3 69 7306 1 3 70 7306 1 3 71 7306 1 4 82 7306 1 4 83 7306 1 4 84 7306 1 5 157 7306 1 5 158 7306 1 5 159 7306 1 5 160 7306 1 5 161 7306 1 5 162 7306 1 6 211 7306 1 6 212 7306 1 6 213 7306 1 7 222 7306 1 7 223 7306 1 7 224 7306 1 8 346 7306 1 8 347 7306 1 8 348 7306 1 8 349 7306 1 8 350 7306 1 8 351 7306 1 9 428 7306 1 9 429 7306 1 9 430 7306 1 10 462 7306 1 10 463 7306 1 10 464 7306 1 10 465 7306 1 10 466 7306 1 10 467 7306 1 stop_ save_