################################### # 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_Ub_S65E_methyl_resonances _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode Ub_S65E_methyl_resonances _Assigned_chem_shift_list.Entry_ID 25708 _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-13C HMQC aliphatic' . . . 25708 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 4 4 MET HE1 H 1 1.6475 0.00021 . 1 . . . . 1 MET HE1 . 25708 1 2 . 1 1 4 4 MET HE2 H 1 1.6475 0.00021 . 1 . . . . 1 MET HE1 . 25708 1 3 . 1 1 4 4 MET HE3 H 1 1.6475 0.00021 . 1 . . . . 1 MET HE1 . 25708 1 4 . 1 1 4 4 MET CE C 13 17.5688 0.02000 . 1 . . . . 1 MET CE . 25708 1 5 . 1 1 6 6 ILE HG21 H 1 0.6248 0.00021 . 1 . . . . 3 ILE HG21 . 25708 1 6 . 1 1 6 6 ILE HG22 H 1 0.6248 0.00021 . 1 . . . . 3 ILE HG21 . 25708 1 7 . 1 1 6 6 ILE HG23 H 1 0.6248 0.00021 . 1 . . . . 3 ILE HG21 . 25708 1 8 . 1 1 6 6 ILE HD11 H 1 0.5975 0.00021 . 1 . . . . 3 ILE HD11 . 25708 1 9 . 1 1 6 6 ILE HD12 H 1 0.5975 0.00021 . 1 . . . . 3 ILE HD11 . 25708 1 10 . 1 1 6 6 ILE HD13 H 1 0.5975 0.00021 . 1 . . . . 3 ILE HD11 . 25708 1 11 . 1 1 6 6 ILE CG2 C 13 17.8154 0.02000 . 1 . . . . 3 ILE CG2 . 25708 1 12 . 1 1 6 6 ILE CD1 C 13 14.2017 0.02000 . 1 . . . . 3 ILE CD1 . 25708 1 13 . 1 1 8 8 VAL HG11 H 1 0.7254 0.00021 . 2 . . . . 5 VAL HG11 . 25708 1 14 . 1 1 8 8 VAL HG12 H 1 0.7254 0.00021 . 2 . . . . 5 VAL HG11 . 25708 1 15 . 1 1 8 8 VAL HG13 H 1 0.7254 0.00021 . 2 . . . . 5 VAL HG11 . 25708 1 16 . 1 1 8 8 VAL HG21 H 1 0.7038 0.00021 . 2 . . . . 5 VAL HG21 . 25708 1 17 . 1 1 8 8 VAL HG22 H 1 0.7038 0.00021 . 2 . . . . 5 VAL HG21 . 25708 1 18 . 1 1 8 8 VAL HG23 H 1 0.7038 0.00021 . 2 . . . . 5 VAL HG21 . 25708 1 19 . 1 1 8 8 VAL CG1 C 13 20.9270 0.02000 . 2 . . . . 5 VAL CG1 . 25708 1 20 . 1 1 8 8 VAL CG2 C 13 22.2071 0.02000 . 2 . . . . 5 VAL CG2 . 25708 1 21 . 1 1 10 10 THR HG21 H 1 1.1712 0.00021 . 1 . . . . 7 THR HG21 . 25708 1 22 . 1 1 10 10 THR HG22 H 1 1.1712 0.00021 . 1 . . . . 7 THR HG21 . 25708 1 23 . 1 1 10 10 THR HG23 H 1 1.1712 0.00021 . 1 . . . . 7 THR HG21 . 25708 1 24 . 1 1 10 10 THR CG2 C 13 21.4808 0.02000 . 1 . . . . 7 THR CG2 . 25708 1 25 . 1 1 11 11 LEU HD11 H 1 1.0403 0.00021 . 2 . . . . 8 LEU HD11 . 25708 1 26 . 1 1 11 11 LEU HD12 H 1 1.0403 0.00021 . 2 . . . . 8 LEU HD11 . 25708 1 27 . 1 1 11 11 LEU HD13 H 1 1.0403 0.00021 . 2 . . . . 8 LEU HD11 . 25708 1 28 . 1 1 11 11 LEU HD21 H 1 0.9742 0.00021 . 2 . . . . 8 LEU HD21 . 25708 1 29 . 1 1 11 11 LEU HD22 H 1 0.9742 0.00021 . 2 . . . . 8 LEU HD21 . 25708 1 30 . 1 1 11 11 LEU HD23 H 1 0.9742 0.00021 . 2 . . . . 8 LEU HD21 . 25708 1 31 . 1 1 11 11 LEU CD1 C 13 25.4079 0.02000 . 2 . . . . 8 LEU CD1 . 25708 1 32 . 1 1 11 11 LEU CD2 C 13 23.7764 0.02000 . 2 . . . . 8 LEU CD2 . 25708 1 33 . 1 1 12 12 THR HG21 H 1 1.2558 0.00021 . 1 . . . . 9 THR HG21 . 25708 1 34 . 1 1 12 12 THR HG22 H 1 1.2558 0.00021 . 1 . . . . 9 THR HG21 . 25708 1 35 . 1 1 12 12 THR HG23 H 1 1.2558 0.00021 . 1 . . . . 9 THR HG21 . 25708 1 36 . 1 1 12 12 THR CG2 C 13 21.8984 0.02000 . 1 . . . . 9 THR CG2 . 25708 1 37 . 1 1 15 15 THR HG21 H 1 1.0558 0.00021 . 1 . . . . 12 THR HG21 . 25708 1 38 . 1 1 15 15 THR HG22 H 1 1.0558 0.00021 . 1 . . . . 12 THR HG21 . 25708 1 39 . 1 1 15 15 THR HG23 H 1 1.0558 0.00021 . 1 . . . . 12 THR HG21 . 25708 1 40 . 1 1 15 15 THR CG2 C 13 21.9957 0.02000 . 1 . . . . 12 THR CG2 . 25708 1 41 . 1 1 16 16 ILE HG21 H 1 0.8672 0.00021 . 1 . . . . 13 ILE HG21 . 25708 1 42 . 1 1 16 16 ILE HG22 H 1 0.8672 0.00021 . 1 . . . . 13 ILE HG21 . 25708 1 43 . 1 1 16 16 ILE HG23 H 1 0.8672 0.00021 . 1 . . . . 13 ILE HG21 . 25708 1 44 . 1 1 16 16 ILE HD11 H 1 0.7870 0.00021 . 1 . . . . 13 ILE HD11 . 25708 1 45 . 1 1 16 16 ILE HD12 H 1 0.7870 0.00021 . 1 . . . . 13 ILE HD11 . 25708 1 46 . 1 1 16 16 ILE HD13 H 1 0.7870 0.00021 . 1 . . . . 13 ILE HD11 . 25708 1 47 . 1 1 16 16 ILE CG2 C 13 17.7828 0.02000 . 1 . . . . 13 ILE CG2 . 25708 1 48 . 1 1 16 16 ILE CD1 C 13 13.6410 0.02000 . 1 . . . . 13 ILE CD1 . 25708 1 49 . 1 1 17 17 THR HG21 H 1 1.0829 0.00021 . 1 . . . . 14 THR HG21 . 25708 1 50 . 1 1 17 17 THR HG22 H 1 1.0829 0.00021 . 1 . . . . 14 THR HG21 . 25708 1 51 . 1 1 17 17 THR HG23 H 1 1.0829 0.00021 . 1 . . . . 14 THR HG21 . 25708 1 52 . 1 1 17 17 THR CG2 C 13 21.7614 0.02000 . 1 . . . . 14 THR CG2 . 25708 1 53 . 1 1 18 18 LEU HD11 H 1 0.7054 0.00021 . 2 . . . . 15 LEU HD11 . 25708 1 54 . 1 1 18 18 LEU HD12 H 1 0.7054 0.00021 . 2 . . . . 15 LEU HD11 . 25708 1 55 . 1 1 18 18 LEU HD13 H 1 0.7054 0.00021 . 2 . . . . 15 LEU HD11 . 25708 1 56 . 1 1 18 18 LEU HD21 H 1 0.7431 0.00021 . 2 . . . . 15 LEU HD21 . 25708 1 57 . 1 1 18 18 LEU HD22 H 1 0.7431 0.00021 . 2 . . . . 15 LEU HD21 . 25708 1 58 . 1 1 18 18 LEU HD23 H 1 0.7431 0.00021 . 2 . . . . 15 LEU HD21 . 25708 1 59 . 1 1 18 18 LEU CD1 C 13 27.1661 0.02000 . 2 . . . . 15 LEU CD1 . 25708 1 60 . 1 1 18 18 LEU CD2 C 13 24.2250 0.02000 . 2 . . . . 15 LEU CD2 . 25708 1 61 . 1 1 20 20 VAL HG11 H 1 0.6754 0.00021 . 2 . . . . 17 VAL HG11 . 25708 1 62 . 1 1 20 20 VAL HG12 H 1 0.6754 0.00021 . 2 . . . . 17 VAL HG11 . 25708 1 63 . 1 1 20 20 VAL HG13 H 1 0.6754 0.00021 . 2 . . . . 17 VAL HG11 . 25708 1 64 . 1 1 20 20 VAL HG21 H 1 0.4425 0.00021 . 2 . . . . 17 VAL HG21 . 25708 1 65 . 1 1 20 20 VAL HG22 H 1 0.4425 0.00021 . 2 . . . . 17 VAL HG21 . 25708 1 66 . 1 1 20 20 VAL HG23 H 1 0.4425 0.00021 . 2 . . . . 17 VAL HG21 . 25708 1 67 . 1 1 20 20 VAL CG1 C 13 22.3835 0.02000 . 2 . . . . 17 VAL CG1 . 25708 1 68 . 1 1 20 20 VAL CG2 C 13 19.2747 0.02000 . 2 . . . . 17 VAL CG2 . 25708 1 69 . 1 1 25 25 THR HG21 H 1 1.2634 0.00021 . 1 . . . . 22 THR HG21 . 25708 1 70 . 1 1 25 25 THR HG22 H 1 1.2634 0.00021 . 1 . . . . 22 THR HG21 . 25708 1 71 . 1 1 25 25 THR HG23 H 1 1.2634 0.00021 . 1 . . . . 22 THR HG21 . 25708 1 72 . 1 1 25 25 THR CG2 C 13 22.1854 0.02000 . 1 . . . . 22 THR CG2 . 25708 1 73 . 1 1 26 26 ILE HG21 H 1 0.7780 0.00021 . 1 . . . . 23 ILE HG21 . 25708 1 74 . 1 1 26 26 ILE HG22 H 1 0.7780 0.00021 . 1 . . . . 23 ILE HG21 . 25708 1 75 . 1 1 26 26 ILE HG23 H 1 0.7780 0.00021 . 1 . . . . 23 ILE HG21 . 25708 1 76 . 1 1 26 26 ILE HD11 H 1 0.5753 0.00021 . 1 . . . . 23 ILE HD11 . 25708 1 77 . 1 1 26 26 ILE HD12 H 1 0.5753 0.00021 . 1 . . . . 23 ILE HD11 . 25708 1 78 . 1 1 26 26 ILE HD13 H 1 0.5753 0.00021 . 1 . . . . 23 ILE HD11 . 25708 1 79 . 1 1 26 26 ILE CG2 C 13 18.1581 0.02000 . 1 . . . . 23 ILE CG2 . 25708 1 80 . 1 1 26 26 ILE CD1 C 13 9.4443 0.02000 . 1 . . . . 23 ILE CD1 . 25708 1 81 . 1 1 29 29 VAL HG11 H 1 0.8671 0.00021 . 2 . . . . 26 VAL HG11 . 25708 1 82 . 1 1 29 29 VAL HG12 H 1 0.8671 0.00021 . 2 . . . . 26 VAL HG11 . 25708 1 83 . 1 1 29 29 VAL HG13 H 1 0.8671 0.00021 . 2 . . . . 26 VAL HG11 . 25708 1 84 . 1 1 29 29 VAL HG21 H 1 0.6947 0.00021 . 2 . . . . 26 VAL HG21 . 25708 1 85 . 1 1 29 29 VAL HG22 H 1 0.6947 0.00021 . 2 . . . . 26 VAL HG21 . 25708 1 86 . 1 1 29 29 VAL HG23 H 1 0.6947 0.00021 . 2 . . . . 26 VAL HG21 . 25708 1 87 . 1 1 29 29 VAL CG1 C 13 23.3128 0.02000 . 2 . . . . 26 VAL CG1 . 25708 1 88 . 1 1 29 29 VAL CG2 C 13 21.5126 0.02000 . 2 . . . . 26 VAL CG2 . 25708 1 89 . 1 1 33 33 ILE HG21 H 1 0.6915 0.00021 . 1 . . . . 30 ILE HG21 . 25708 1 90 . 1 1 33 33 ILE HG22 H 1 0.6915 0.00021 . 1 . . . . 30 ILE HG21 . 25708 1 91 . 1 1 33 33 ILE HG23 H 1 0.6915 0.00021 . 1 . . . . 30 ILE HG21 . 25708 1 92 . 1 1 33 33 ILE HD11 H 1 0.8905 0.00021 . 1 . . . . 30 ILE HD11 . 25708 1 93 . 1 1 33 33 ILE HD12 H 1 0.8905 0.00021 . 1 . . . . 30 ILE HD11 . 25708 1 94 . 1 1 33 33 ILE HD13 H 1 0.8905 0.00021 . 1 . . . . 30 ILE HD11 . 25708 1 95 . 1 1 33 33 ILE CG2 C 13 17.0830 0.02000 . 1 . . . . 30 ILE CG2 . 25708 1 96 . 1 1 33 33 ILE CD1 C 13 15.2387 0.02000 . 1 . . . . 30 ILE CD1 . 25708 1 97 . 1 1 39 39 ILE HG21 H 1 0.9283 0.00021 . 1 . . . . 36 ILE HG21 . 25708 1 98 . 1 1 39 39 ILE HG22 H 1 0.9283 0.00021 . 1 . . . . 36 ILE HG21 . 25708 1 99 . 1 1 39 39 ILE HG23 H 1 0.9283 0.00021 . 1 . . . . 36 ILE HG21 . 25708 1 100 . 1 1 39 39 ILE HD11 H 1 0.7148 0.00021 . 1 . . . . 36 ILE HD11 . 25708 1 101 . 1 1 39 39 ILE HD12 H 1 0.7148 0.00021 . 1 . . . . 36 ILE HD11 . 25708 1 102 . 1 1 39 39 ILE HD13 H 1 0.7148 0.00021 . 1 . . . . 36 ILE HD11 . 25708 1 103 . 1 1 39 39 ILE CG2 C 13 17.7034 0.02000 . 1 . . . . 36 ILE CG2 . 25708 1 104 . 1 1 39 39 ILE CD1 C 13 14.4616 0.02000 . 1 . . . . 36 ILE CD1 . 25708 1 105 . 1 1 46 46 LEU HD11 H 1 0.7404 0.00021 . 2 . . . . 43 LEU HD11 . 25708 1 106 . 1 1 46 46 LEU HD12 H 1 0.7404 0.00021 . 2 . . . . 43 LEU HD11 . 25708 1 107 . 1 1 46 46 LEU HD13 H 1 0.7404 0.00021 . 2 . . . . 43 LEU HD11 . 25708 1 108 . 1 1 46 46 LEU HD21 H 1 0.7873 0.00021 . 2 . . . . 43 LEU HD21 . 25708 1 109 . 1 1 46 46 LEU HD22 H 1 0.7873 0.00021 . 2 . . . . 43 LEU HD21 . 25708 1 110 . 1 1 46 46 LEU HD23 H 1 0.7873 0.00021 . 2 . . . . 43 LEU HD21 . 25708 1 111 . 1 1 46 46 LEU CD1 C 13 26.1833 0.02000 . 2 . . . . 43 LEU CD1 . 25708 1 112 . 1 1 46 46 LEU CD2 C 13 24.2459 0.02000 . 2 . . . . 43 LEU CD2 . 25708 1 113 . 1 1 47 47 ILE HG21 H 1 0.6729 0.00021 . 1 . . . . 44 ILE HG21 . 25708 1 114 . 1 1 47 47 ILE HG22 H 1 0.6729 0.00021 . 1 . . . . 44 ILE HG21 . 25708 1 115 . 1 1 47 47 ILE HG23 H 1 0.6729 0.00021 . 1 . . . . 44 ILE HG21 . 25708 1 116 . 1 1 47 47 ILE HD11 H 1 0.6550 0.00021 . 1 . . . . 44 ILE HD11 . 25708 1 117 . 1 1 47 47 ILE HD12 H 1 0.6550 0.00021 . 1 . . . . 44 ILE HD11 . 25708 1 118 . 1 1 47 47 ILE HD13 H 1 0.6550 0.00021 . 1 . . . . 44 ILE HD11 . 25708 1 119 . 1 1 47 47 ILE CG2 C 13 17.5222 0.02000 . 1 . . . . 44 ILE CG2 . 25708 1 120 . 1 1 47 47 ILE CD1 C 13 12.4796 0.02000 . 1 . . . . 44 ILE CD1 . 25708 1 121 . 1 1 49 49 ALA HB1 H 1 0.8458 0.00021 . 1 . . . . 46 ALA HB1 . 25708 1 122 . 1 1 49 49 ALA HB2 H 1 0.8458 0.00021 . 1 . . . . 46 ALA HB1 . 25708 1 123 . 1 1 49 49 ALA HB3 H 1 0.8458 0.00021 . 1 . . . . 46 ALA HB1 . 25708 1 124 . 1 1 49 49 ALA CB C 13 16.3865 0.02000 . 1 . . . . 46 ALA CB . 25708 1 125 . 1 1 53 53 LEU HD11 H 1 0.5106 0.00021 . 2 . . . . 50 LEU HD11 . 25708 1 126 . 1 1 53 53 LEU HD12 H 1 0.5106 0.00021 . 2 . . . . 50 LEU HD11 . 25708 1 127 . 1 1 53 53 LEU HD13 H 1 0.5106 0.00021 . 2 . . . . 50 LEU HD11 . 25708 1 128 . 1 1 53 53 LEU HD21 H 1 -0.1595 0.00021 . 2 . . . . 50 LEU HD21 . 25708 1 129 . 1 1 53 53 LEU HD22 H 1 -0.1595 0.00021 . 2 . . . . 50 LEU HD21 . 25708 1 130 . 1 1 53 53 LEU HD23 H 1 -0.1595 0.00021 . 2 . . . . 50 LEU HD21 . 25708 1 131 . 1 1 53 53 LEU CD1 C 13 26.0841 0.02000 . 2 . . . . 50 LEU CD1 . 25708 1 132 . 1 1 53 53 LEU CD2 C 13 19.6911 0.02000 . 2 . . . . 50 LEU CD2 . 25708 1 133 . 1 1 58 58 THR HG21 H 1 1.1350 0.00021 . 1 . . . . 55 THR HG21 . 25708 1 134 . 1 1 58 58 THR HG22 H 1 1.1350 0.00021 . 1 . . . . 55 THR HG21 . 25708 1 135 . 1 1 58 58 THR HG23 H 1 1.1350 0.00021 . 1 . . . . 55 THR HG21 . 25708 1 136 . 1 1 58 58 THR CG2 C 13 22.3280 0.02000 . 1 . . . . 55 THR CG2 . 25708 1 137 . 1 1 59 59 LEU HD11 H 1 0.7646 0.00021 . 2 . . . . 56 LEU HD11 . 25708 1 138 . 1 1 59 59 LEU HD12 H 1 0.7646 0.00021 . 2 . . . . 56 LEU HD11 . 25708 1 139 . 1 1 59 59 LEU HD13 H 1 0.7646 0.00021 . 2 . . . . 56 LEU HD11 . 25708 1 140 . 1 1 59 59 LEU HD21 H 1 0.6170 0.00021 . 2 . . . . 56 LEU HD21 . 25708 1 141 . 1 1 59 59 LEU HD22 H 1 0.6170 0.00021 . 2 . . . . 56 LEU HD21 . 25708 1 142 . 1 1 59 59 LEU HD23 H 1 0.6170 0.00021 . 2 . . . . 56 LEU HD21 . 25708 1 143 . 1 1 59 59 LEU CD1 C 13 26.4923 0.02000 . 2 . . . . 56 LEU CD1 . 25708 1 144 . 1 1 59 59 LEU CD2 C 13 23.2102 0.02000 . 2 . . . . 56 LEU CD2 . 25708 1 145 . 1 1 64 64 ILE HG21 H 1 0.4978 0.00021 . 1 . . . . 61 ILE HG21 . 25708 1 146 . 1 1 64 64 ILE HG22 H 1 0.4978 0.00021 . 1 . . . . 61 ILE HG21 . 25708 1 147 . 1 1 64 64 ILE HG23 H 1 0.4978 0.00021 . 1 . . . . 61 ILE HG21 . 25708 1 148 . 1 1 64 64 ILE HD11 H 1 0.3444 0.00021 . 1 . . . . 61 ILE HD11 . 25708 1 149 . 1 1 64 64 ILE HD12 H 1 0.3444 0.00021 . 1 . . . . 61 ILE HD11 . 25708 1 150 . 1 1 64 64 ILE HD13 H 1 0.3444 0.00021 . 1 . . . . 61 ILE HD11 . 25708 1 151 . 1 1 64 64 ILE CG2 C 13 17.0647 0.02000 . 1 . . . . 61 ILE CG2 . 25708 1 152 . 1 1 64 64 ILE CD1 C 13 14.0285 0.02000 . 1 . . . . 61 ILE CD1 . 25708 1 153 . 1 1 69 69 THR HG21 H 1 0.9270 0.00021 . 1 . . . . 66 THR HG21 . 25708 1 154 . 1 1 69 69 THR HG22 H 1 0.9270 0.00021 . 1 . . . . 66 THR HG21 . 25708 1 155 . 1 1 69 69 THR HG23 H 1 0.9270 0.00021 . 1 . . . . 66 THR HG21 . 25708 1 156 . 1 1 69 69 THR CG2 C 13 21.4296 0.02000 . 1 . . . . 66 THR CG2 . 25708 1 157 . 1 1 70 70 LEU HD11 H 1 0.6478 0.00021 . 2 . . . . 67 LEU HD11 . 25708 1 158 . 1 1 70 70 LEU HD12 H 1 0.6478 0.00021 . 2 . . . . 67 LEU HD11 . 25708 1 159 . 1 1 70 70 LEU HD13 H 1 0.6478 0.00021 . 2 . . . . 67 LEU HD11 . 25708 1 160 . 1 1 70 70 LEU HD21 H 1 0.6754 0.00021 . 2 . . . . 67 LEU HD21 . 25708 1 161 . 1 1 70 70 LEU HD22 H 1 0.6754 0.00021 . 2 . . . . 67 LEU HD21 . 25708 1 162 . 1 1 70 70 LEU HD23 H 1 0.6754 0.00021 . 2 . . . . 67 LEU HD21 . 25708 1 163 . 1 1 70 70 LEU CD1 C 13 24.6842 0.02000 . 2 . . . . 67 LEU CD1 . 25708 1 164 . 1 1 70 70 LEU CD2 C 13 24.9894 0.02000 . 2 . . . . 67 LEU CD2 . 25708 1 165 . 1 1 72 72 LEU HD21 H 1 0.8561 0.00021 . 2 . . . . 69 LEU HD21 . 25708 1 166 . 1 1 72 72 LEU HD22 H 1 0.8561 0.00021 . 2 . . . . 69 LEU HD21 . 25708 1 167 . 1 1 72 72 LEU HD23 H 1 0.8561 0.00021 . 2 . . . . 69 LEU HD21 . 25708 1 168 . 1 1 72 72 LEU CD2 C 13 23.9164 0.02000 . 2 . . . . 69 LEU CD2 . 25708 1 169 . 1 1 73 73 VAL HG21 H 1 0.8357 0.00021 . 2 . . . . 70 VAL HG21 . 25708 1 170 . 1 1 73 73 VAL HG22 H 1 0.8357 0.00021 . 2 . . . . 70 VAL HG21 . 25708 1 171 . 1 1 73 73 VAL HG23 H 1 0.8357 0.00021 . 2 . . . . 70 VAL HG21 . 25708 1 172 . 1 1 73 73 VAL CG2 C 13 20.7057 0.02000 . 2 . . . . 70 VAL CG2 . 25708 1 173 . 1 1 74 74 LEU HD11 H 1 0.9204 0.00021 . 2 . . . . 71 LEU HD11 . 25708 1 174 . 1 1 74 74 LEU HD12 H 1 0.9204 0.00021 . 2 . . . . 71 LEU HD11 . 25708 1 175 . 1 1 74 74 LEU HD13 H 1 0.9204 0.00021 . 2 . . . . 71 LEU HD11 . 25708 1 176 . 1 1 74 74 LEU CD1 C 13 25.0048 0.02000 . 2 . . . . 71 LEU CD1 . 25708 1 177 . 1 1 76 76 LEU HD11 H 1 0.9636 0.00021 . 2 . . . . 73 LEU HD11 . 25708 1 178 . 1 1 76 76 LEU HD12 H 1 0.9636 0.00021 . 2 . . . . 73 LEU HD11 . 25708 1 179 . 1 1 76 76 LEU HD13 H 1 0.9636 0.00021 . 2 . . . . 73 LEU HD11 . 25708 1 180 . 1 1 76 76 LEU CD1 C 13 25.0514 0.02000 . 2 . . . . 73 LEU CD1 . 25708 1 stop_ save_ ################################### # 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_Ub_S65E_backbone_amide_resonances _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode Ub_S65E_backbone_amide_resonances _Assigned_chem_shift_list.Entry_ID 25708 _Assigned_chem_shift_list.ID 2 _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-15N HSQC' . . . 25708 2 2 '3D HNCA' . . . 25708 2 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 4 4 MET H H 1 9.1187 0.00021 . 1 . . . . 1 MET H . 25708 2 2 . 1 1 4 4 MET N N 15 118.8774 0.00105 . 1 . . . . 1 MET N . 25708 2 3 . 1 1 5 5 GLN H H 1 8.2576 0.00021 . 1 . . . . 2 GLN H . 25708 2 4 . 1 1 5 5 GLN N N 15 120.1459 0.00105 . 1 . . . . 2 GLN N . 25708 2 5 . 1 1 6 6 ILE H H 1 8.3074 0.00021 . 1 . . . . 3 ILE H . 25708 2 6 . 1 1 6 6 ILE N N 15 114.6492 0.00105 . 1 . . . . 3 ILE N . 25708 2 7 . 1 1 7 7 PHE H H 1 8.5896 0.00021 . 1 . . . . 4 PHE H . 25708 2 8 . 1 1 7 7 PHE N N 15 118.7940 0.00105 . 1 . . . . 4 PHE N . 25708 2 9 . 1 1 8 8 VAL H H 1 9.2631 0.00021 . 1 . . . . 5 VAL H . 25708 2 10 . 1 1 8 8 VAL N N 15 121.0162 0.00105 . 1 . . . . 5 VAL N . 25708 2 11 . 1 1 9 9 LYS H H 1 8.9586 0.00021 . 1 . . . . 6 LYS H . 25708 2 12 . 1 1 9 9 LYS N N 15 128.1541 0.00105 . 1 . . . . 6 LYS N . 25708 2 13 . 1 1 10 10 THR H H 1 8.7580 0.00021 . 1 . . . . 7 THR H . 25708 2 14 . 1 1 10 10 THR N N 15 115.7928 0.00105 . 1 . . . . 7 THR N . 25708 2 15 . 1 1 11 11 LEU H H 1 9.1458 0.00021 . 1 . . . . 8 LEU H . 25708 2 16 . 1 1 11 11 LEU N N 15 121.4008 0.00105 . 1 . . . . 8 LEU N . 25708 2 17 . 1 1 12 12 THR H H 1 7.6580 0.00021 . 1 . . . . 9 THR H . 25708 2 18 . 1 1 12 12 THR N N 15 105.9894 0.00105 . 1 . . . . 9 THR N . 25708 2 19 . 1 1 13 13 GLY H H 1 7.8566 0.00021 . 1 . . . . 10 GLY H . 25708 2 20 . 1 1 13 13 GLY N N 15 109.3840 0.00105 . 1 . . . . 10 GLY N . 25708 2 21 . 1 1 14 14 LYS H H 1 7.2920 0.00021 . 1 . . . . 11 LYS H . 25708 2 22 . 1 1 14 14 LYS N N 15 122.0956 0.00105 . 1 . . . . 11 LYS N . 25708 2 23 . 1 1 15 15 THR H H 1 8.6546 0.00021 . 1 . . . . 12 THR H . 25708 2 24 . 1 1 15 15 THR N N 15 120.7651 0.00105 . 1 . . . . 12 THR N . 25708 2 25 . 1 1 16 16 ILE H H 1 9.5924 0.00021 . 1 . . . . 13 ILE H . 25708 2 26 . 1 1 16 16 ILE N N 15 128.0212 0.00105 . 1 . . . . 13 ILE N . 25708 2 27 . 1 1 17 17 THR H H 1 8.7727 0.00021 . 1 . . . . 14 THR H . 25708 2 28 . 1 1 17 17 THR N N 15 122.1695 0.00105 . 1 . . . . 14 THR N . 25708 2 29 . 1 1 18 18 LEU H H 1 8.8577 0.00021 . 1 . . . . 15 LEU H . 25708 2 30 . 1 1 18 18 LEU N N 15 125.7082 0.00105 . 1 . . . . 15 LEU N . 25708 2 31 . 1 1 19 19 GLU H H 1 8.1757 0.00021 . 1 . . . . 16 GLU H . 25708 2 32 . 1 1 19 19 GLU N N 15 122.1304 0.00105 . 1 . . . . 16 GLU N . 25708 2 33 . 1 1 20 20 VAL H H 1 8.7816 0.00021 . 1 . . . . 17 VAL H . 25708 2 34 . 1 1 20 20 VAL N N 15 116.8720 0.00105 . 1 . . . . 17 VAL N . 25708 2 35 . 1 1 21 21 GLU H H 1 8.5321 0.00021 . 1 . . . . 18 GLU H . 25708 2 36 . 1 1 21 21 GLU N N 15 118.3481 0.00105 . 1 . . . . 18 GLU N . 25708 2 37 . 1 1 22 22 SER H H 1 8.9940 0.00021 . 1 . . . . 19 SER H . 25708 2 38 . 1 1 22 22 SER N N 15 117.6509 0.00105 . 1 . . . . 19 SER N . 25708 2 39 . 1 1 23 23 SER H H 1 7.3154 0.00021 . 1 . . . . 20 SER H . 25708 2 40 . 1 1 23 23 SER N N 15 109.0085 0.00105 . 1 . . . . 20 SER N . 25708 2 41 . 1 1 24 24 ASP H H 1 7.9569 0.00021 . 1 . . . . 21 ASP H . 25708 2 42 . 1 1 24 24 ASP N N 15 123.6627 0.00105 . 1 . . . . 21 ASP N . 25708 2 43 . 1 1 25 25 THR H H 1 7.9770 0.00021 . 1 . . . . 22 THR H . 25708 2 44 . 1 1 25 25 THR N N 15 108.7444 0.00105 . 1 . . . . 22 THR N . 25708 2 45 . 1 1 26 26 ILE H H 1 8.7581 0.00021 . 1 . . . . 23 ILE H . 25708 2 46 . 1 1 26 26 ILE N N 15 121.6834 0.00105 . 1 . . . . 23 ILE N . 25708 2 47 . 1 1 27 27 ASP H H 1 9.4472 0.00021 . 1 . . . . 24 ASP H . 25708 2 48 . 1 1 27 27 ASP N N 15 118.5552 0.00105 . 1 . . . . 24 ASP N . 25708 2 49 . 1 1 28 28 ASN H H 1 8.0538 0.00021 . 1 . . . . 25 ASN H . 25708 2 50 . 1 1 28 28 ASN N N 15 119.7303 0.00105 . 1 . . . . 25 ASN N . 25708 2 51 . 1 1 29 29 VAL H H 1 8.1881 0.00021 . 1 . . . . 26 VAL H . 25708 2 52 . 1 1 29 29 VAL N N 15 122.3122 0.00105 . 1 . . . . 26 VAL N . 25708 2 53 . 1 1 30 30 LYS H H 1 8.5984 0.00021 . 1 . . . . 27 LYS H . 25708 2 54 . 1 1 30 30 LYS N N 15 118.9456 0.00105 . 1 . . . . 27 LYS N . 25708 2 55 . 1 1 31 31 SER H H 1 8.1461 0.00021 . 1 . . . . 28 SER H . 25708 2 56 . 1 1 31 31 SER N N 15 117.5480 0.00105 . 1 . . . . 28 SER N . 25708 2 57 . 1 1 32 32 LYS H H 1 7.9899 0.00021 . 1 . . . . 29 LYS H . 25708 2 58 . 1 1 32 32 LYS N N 15 123.3226 0.00105 . 1 . . . . 29 LYS N . 25708 2 59 . 1 1 33 33 ILE H H 1 8.3468 0.00021 . 1 . . . . 30 ILE H . 25708 2 60 . 1 1 33 33 ILE N N 15 121.3870 0.00105 . 1 . . . . 30 ILE N . 25708 2 61 . 1 1 34 34 GLN H H 1 8.5327 0.00021 . 1 . . . . 31 GLN H . 25708 2 62 . 1 1 34 34 GLN N N 15 123.6687 0.00105 . 1 . . . . 31 GLN N . 25708 2 63 . 1 1 35 35 ASP H H 1 8.0958 0.00021 . 1 . . . . 32 ASP H . 25708 2 64 . 1 1 35 35 ASP N N 15 120.0978 0.00105 . 1 . . . . 32 ASP N . 25708 2 65 . 1 1 36 36 LYS H H 1 7.4693 0.00021 . 1 . . . . 33 LYS H . 25708 2 66 . 1 1 36 36 LYS N N 15 115.8330 0.00105 . 1 . . . . 33 LYS N . 25708 2 67 . 1 1 37 37 GLU H H 1 8.7514 0.00021 . 1 . . . . 34 GLU H . 25708 2 68 . 1 1 37 37 GLU N N 15 114.4344 0.00105 . 1 . . . . 34 GLU N . 25708 2 69 . 1 1 38 38 GLY H H 1 8.5446 0.00021 . 1 . . . . 35 GLY H . 25708 2 70 . 1 1 38 38 GLY N N 15 109.0269 0.00105 . 1 . . . . 35 GLY N . 25708 2 71 . 1 1 39 39 ILE H H 1 6.1716 0.00021 . 1 . . . . 36 ILE H . 25708 2 72 . 1 1 39 39 ILE N N 15 120.4999 0.00105 . 1 . . . . 36 ILE N . 25708 2 73 . 1 1 42 42 ASP H H 1 8.5274 0.00021 . 1 . . . . 39 ASP H . 25708 2 74 . 1 1 42 42 ASP N N 15 113.6168 0.00105 . 1 . . . . 39 ASP N . 25708 2 75 . 1 1 43 43 GLN H H 1 7.8472 0.00021 . 1 . . . . 40 GLN H . 25708 2 76 . 1 1 43 43 GLN N N 15 117.0559 0.00105 . 1 . . . . 40 GLN N . 25708 2 77 . 1 1 44 44 GLN H H 1 7.5180 0.00021 . 1 . . . . 41 GLN H . 25708 2 78 . 1 1 44 44 GLN N N 15 118.1938 0.00105 . 1 . . . . 41 GLN N . 25708 2 79 . 1 1 45 45 ARG H H 1 8.5193 0.00021 . 1 . . . . 42 ARG H . 25708 2 80 . 1 1 45 45 ARG N N 15 123.0498 0.00105 . 1 . . . . 42 ARG N . 25708 2 81 . 1 1 46 46 LEU H H 1 8.7891 0.00021 . 1 . . . . 43 LEU H . 25708 2 82 . 1 1 46 46 LEU N N 15 124.6201 0.00105 . 1 . . . . 43 LEU N . 25708 2 83 . 1 1 47 47 ILE H H 1 9.2479 0.00021 . 1 . . . . 44 ILE H . 25708 2 84 . 1 1 47 47 ILE N N 15 122.8216 0.00105 . 1 . . . . 44 ILE N . 25708 2 85 . 1 1 48 48 PHE H H 1 8.8738 0.00021 . 1 . . . . 45 PHE H . 25708 2 86 . 1 1 48 48 PHE N N 15 125.2687 0.00105 . 1 . . . . 45 PHE N . 25708 2 87 . 1 1 49 49 ALA H H 1 9.0263 0.00021 . 1 . . . . 46 ALA H . 25708 2 88 . 1 1 49 49 ALA N N 15 133.1125 0.00105 . 1 . . . . 46 ALA N . 25708 2 89 . 1 1 50 50 GLY H H 1 8.1182 0.00021 . 1 . . . . 47 GLY H . 25708 2 90 . 1 1 50 50 GLY N N 15 102.5700 0.00105 . 1 . . . . 47 GLY N . 25708 2 91 . 1 1 51 51 LYS H H 1 7.9853 0.00021 . 1 . . . . 48 LYS H . 25708 2 92 . 1 1 51 51 LYS N N 15 122.0079 0.00105 . 1 . . . . 48 LYS N . 25708 2 93 . 1 1 52 52 GLN H H 1 8.6598 0.00021 . 1 . . . . 49 GLN H . 25708 2 94 . 1 1 52 52 GLN N N 15 122.9686 0.00105 . 1 . . . . 49 GLN N . 25708 2 95 . 1 1 53 53 LEU H H 1 8.6344 0.00021 . 1 . . . . 50 LEU H . 25708 2 96 . 1 1 53 53 LEU N N 15 126.1825 0.00105 . 1 . . . . 50 LEU N . 25708 2 97 . 1 1 54 54 GLU H H 1 8.3968 0.00021 . 1 . . . . 51 GLU H . 25708 2 98 . 1 1 54 54 GLU N N 15 123.1476 0.00105 . 1 . . . . 51 GLU N . 25708 2 99 . 1 1 55 55 ASP H H 1 8.1246 0.00021 . 1 . . . . 52 ASP H . 25708 2 100 . 1 1 55 55 ASP N N 15 120.4284 0.00105 . 1 . . . . 52 ASP N . 25708 2 101 . 1 1 56 56 GLY H H 1 9.4787 0.00021 . 1 . . . . 53 GLY H . 25708 2 102 . 1 1 56 56 GLY N N 15 107.1339 0.00105 . 1 . . . . 53 GLY N . 25708 2 103 . 1 1 57 57 ARG H H 1 7.4371 0.00021 . 1 . . . . 54 ARG H . 25708 2 104 . 1 1 57 57 ARG N N 15 119.3165 0.00105 . 1 . . . . 54 ARG N . 25708 2 105 . 1 1 58 58 THR H H 1 8.8952 0.00021 . 1 . . . . 55 THR H . 25708 2 106 . 1 1 58 58 THR N N 15 109.0771 0.00105 . 1 . . . . 55 THR N . 25708 2 107 . 1 1 59 59 LEU H H 1 8.1813 0.00021 . 1 . . . . 56 LEU H . 25708 2 108 . 1 1 59 59 LEU N N 15 118.1635 0.00105 . 1 . . . . 56 LEU N . 25708 2 109 . 1 1 60 60 SER H H 1 8.2420 0.00021 . 1 . . . . 57 SER H . 25708 2 110 . 1 1 60 60 SER N N 15 112.9758 0.00105 . 1 . . . . 57 SER N . 25708 2 111 . 1 1 61 61 ASP H H 1 7.9950 0.00021 . 1 . . . . 58 ASP H . 25708 2 112 . 1 1 61 61 ASP N N 15 124.7312 0.00105 . 1 . . . . 58 ASP N . 25708 2 113 . 1 1 62 62 TYR H H 1 7.2542 0.00021 . 1 . . . . 59 TYR H . 25708 2 114 . 1 1 62 62 TYR N N 15 115.8874 0.00105 . 1 . . . . 59 TYR N . 25708 2 115 . 1 1 63 63 ASN H H 1 8.1700 0.00021 . 1 . . . . 60 ASN H . 25708 2 116 . 1 1 63 63 ASN N N 15 116.3800 0.00105 . 1 . . . . 60 ASN H . 25708 2 117 . 1 1 64 64 ILE H H 1 7.2347 0.00021 . 1 . . . . 61 ILE H . 25708 2 118 . 1 1 64 64 ILE N N 15 119.4246 0.00105 . 1 . . . . 61 ILE N . 25708 2 119 . 1 1 65 65 GLN H H 1 8.4443 0.00021 . 1 . . . . 62 GLN H . 25708 2 120 . 1 1 65 65 GLN N N 15 126.6758 0.00105 . 1 . . . . 62 GLN N . 25708 2 121 . 1 1 66 66 LYS H H 1 7.9283 0.00021 . 1 . . . . 63 LYS H . 25708 2 122 . 1 1 66 66 LYS N N 15 116.2000 0.00105 . 1 . . . . 63 LYS N . 25708 2 123 . 1 1 67 67 GLU H H 1 9.1800 0.00021 . 1 . . . . 64 GLU H . 25708 2 124 . 1 1 67 67 GLU N N 15 113.4922 0.00105 . 1 . . . . 64 GLU N . 25708 2 125 . 1 1 68 68 GLU H H 1 7.4445 0.00021 . 1 . . . . 65 GLU H . 25708 2 126 . 1 1 68 68 GLU N N 15 118.7847 0.00105 . 1 . . . . 65 GLU N . 25708 2 127 . 1 1 69 69 THR H H 1 8.7076 0.00021 . 1 . . . . 66 THR H . 25708 2 128 . 1 1 69 69 THR N N 15 116.2287 0.00105 . 1 . . . . 66 THR N . 25708 2 129 . 1 1 70 70 LEU H H 1 9.3607 0.00021 . 1 . . . . 67 LEU H . 25708 2 130 . 1 1 70 70 LEU N N 15 126.9893 0.00105 . 1 . . . . 67 LEU N . 25708 2 131 . 1 1 71 71 HIS H H 1 9.1369 0.00021 . 1 . . . . 68 HIS H . 25708 2 132 . 1 1 71 71 HIS N N 15 119.7567 0.00105 . 1 . . . . 68 HIS N . 25708 2 133 . 1 1 72 72 LEU H H 1 8.3175 0.00021 . 1 . . . . 69 LEU H . 25708 2 134 . 1 1 72 72 LEU N N 15 123.8834 0.00105 . 1 . . . . 69 LEU N . 25708 2 135 . 1 1 73 73 VAL H H 1 9.2026 0.00021 . 1 . . . . 70 VAL H . 25708 2 136 . 1 1 73 73 VAL N N 15 126.8945 0.00105 . 1 . . . . 70 VAL N . 25708 2 137 . 1 1 74 74 LEU H H 1 8.1363 0.00021 . 1 . . . . 71 LEU H . 25708 2 138 . 1 1 74 74 LEU N N 15 123.1982 0.00105 . 1 . . . . 71 LEU N . 25708 2 139 . 1 1 75 75 ARG H H 1 8.6194 0.00021 . 1 . . . . 72 ARG H . 25708 2 140 . 1 1 75 75 ARG N N 15 123.7129 0.00105 . 1 . . . . 72 ARG N . 25708 2 141 . 1 1 76 76 LEU H H 1 8.3786 0.00021 . 1 . . . . 73 LEU H . 25708 2 142 . 1 1 76 76 LEU N N 15 124.6252 0.00105 . 1 . . . . 73 LEU N . 25708 2 143 . 1 1 77 77 ARG H H 1 8.4548 0.00021 . 1 . . . . 74 ARG H . 25708 2 144 . 1 1 77 77 ARG N N 15 122.0872 0.00105 . 1 . . . . 74 ARG N . 25708 2 145 . 1 1 78 78 GLY H H 1 8.5010 0.00021 . 1 . . . . 75 GLY H . 25708 2 146 . 1 1 78 78 GLY N N 15 111.1474 0.00105 . 1 . . . . 75 GLY N . 25708 2 147 . 1 1 79 79 GLY H H 1 7.9670 0.00021 . 1 . . . . 76 GLY H . 25708 2 148 . 1 1 79 79 GLY N N 15 115.1956 0.00105 . 1 . . . . 76 GLY N . 25708 2 stop_ save_