################################### # 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_Nedd8 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode Nedd8 _Assigned_chem_shift_list.Entry_ID 10062 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_condition_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 '1H-15N HSQC' 1 $sample_1 isotropic 10062 1 2 HNCA 1 $sample_1 isotropic 10062 1 3 HN(CO)CA 1 $sample_1 isotropic 10062 1 4 HNCO 1 $sample_1 isotropic 10062 1 5 HN(CA)CO 1 $sample_1 isotropic 10062 1 6 CBCA(CO)NH 1 $sample_1 isotropic 10062 1 7 CBCANH 1 $sample_1 isotropic 10062 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 21 21 MET H H 1 9.18 0.05 . 1 . . . . 1 MET H . 10062 1 2 . 1 1 21 21 MET N N 15 122.0 0.5 . 1 . . . . 1 MET N . 10062 1 3 . 1 1 22 22 LEU H H 1 8.50 0.05 . 1 . . . . 2 LEU H . 10062 1 4 . 1 1 22 22 LEU N N 15 124.9 0.5 . 1 . . . . 2 LEU N . 10062 1 5 . 1 1 23 23 ILE H H 1 9.00 0.05 . 1 . . . . 3 ILE H . 10062 1 6 . 1 1 23 23 ILE N N 15 121.3 0.5 . 1 . . . . 3 ILE N . 10062 1 7 . 1 1 24 24 LYS H H 1 8.55 0.05 . 1 . . . . 4 LYS H . 10062 1 8 . 1 1 24 24 LYS N N 15 119.4 0.5 . 1 . . . . 4 LYS N . 10062 1 9 . 1 1 25 25 VAL H H 1 9.04 0.05 . 1 . . . . 5 VAL H . 10062 1 10 . 1 1 25 25 VAL N N 15 122.5 0.5 . 1 . . . . 5 VAL N . 10062 1 11 . 1 1 26 26 LYS H H 1 9.03 0.05 . 1 . . . . 6 LYS H . 10062 1 12 . 1 1 26 26 LYS N N 15 129.2 0.5 . 1 . . . . 6 LYS N . 10062 1 13 . 1 1 27 27 THR H H 1 8.85 0.05 . 1 . . . . 7 THR H . 10062 1 14 . 1 1 27 27 THR N N 15 117.8 0.5 . 1 . . . . 7 THR N . 10062 1 15 . 1 1 28 28 LEU H H 1 9.06 0.05 . 1 . . . . 8 LEU H . 10062 1 16 . 1 1 28 28 LEU N N 15 122.0 0.5 . 1 . . . . 8 LEU N . 10062 1 17 . 1 1 29 29 THR H H 1 7.66 0.05 . 1 . . . . 9 THR H . 10062 1 18 . 1 1 29 29 THR N N 15 106.9 0.5 . 1 . . . . 9 THR N . 10062 1 19 . 1 1 30 30 GLY H H 1 7.90 0.05 . 1 . . . . 10 GLY H . 10062 1 20 . 1 1 30 30 GLY N N 15 110.6 0.5 . 1 . . . . 10 GLY N . 10062 1 21 . 1 1 31 31 LYS H H 1 7.23 0.05 . 1 . . . . 11 LYS H . 10062 1 22 . 1 1 31 31 LYS N N 15 122.9 0.5 . 1 . . . . 11 LYS N . 10062 1 23 . 1 1 32 32 GLU H H 1 8.62 0.05 . 1 . . . . 12 GLU H . 10062 1 24 . 1 1 32 32 GLU N N 15 125.0 0.5 . 1 . . . . 12 GLU N . 10062 1 25 . 1 1 33 33 ILE H H 1 9.12 0.05 . 1 . . . . 13 ILE H . 10062 1 26 . 1 1 33 33 ILE N N 15 124.9 0.5 . 1 . . . . 13 ILE N . 10062 1 27 . 1 1 34 34 GLU H H 1 8.68 0.05 . 1 . . . . 14 GLU H . 10062 1 28 . 1 1 34 34 GLU N N 15 127.1 0.5 . 1 . . . . 14 GLU N . 10062 1 29 . 1 1 35 35 ILE H H 1 8.73 0.05 . 1 . . . . 15 ILE H . 10062 1 30 . 1 1 35 35 ILE N N 15 123.3 0.5 . 1 . . . . 15 ILE N . 10062 1 31 . 1 1 36 36 ASP H H 1 8.27 0.05 . 1 . . . . 16 ASP H . 10062 1 32 . 1 1 36 36 ASP N N 15 126.1 0.5 . 1 . . . . 16 ASP N . 10062 1 33 . 1 1 37 37 ILE H H 1 8.92 0.05 . 1 . . . . 17 ILE H . 10062 1 34 . 1 1 37 37 ILE N N 15 118.7 0.5 . 1 . . . . 17 ILE N . 10062 1 35 . 1 1 38 38 GLU H H 1 8.37 0.05 . 1 . . . . 18 GLU H . 10062 1 36 . 1 1 38 38 GLU N N 15 120.0 0.5 . 1 . . . . 18 GLU N . 10062 1 37 . 1 1 40 40 THR H H 1 6.75 0.05 . 1 . . . . 20 THR H . 10062 1 38 . 1 1 40 40 THR N N 15 99.8 0.5 . 1 . . . . 20 THR N . 10062 1 39 . 1 1 41 41 ASP H H 1 7.83 0.05 . 1 . . . . 21 ASP H . 10062 1 40 . 1 1 41 41 ASP N N 15 124.1 0.5 . 1 . . . . 21 ASP N . 10062 1 41 . 1 1 42 42 LYS H H 1 8.52 0.05 . 1 . . . . 22 LYS H . 10062 1 42 . 1 1 42 42 LYS N N 15 120.7 0.5 . 1 . . . . 22 LYS N . 10062 1 43 . 1 1 43 43 VAL H H 1 9.23 0.05 . 1 . . . . 23 VAL H . 10062 1 44 . 1 1 43 43 VAL N N 15 126.6 0.5 . 1 . . . . 23 VAL N . 10062 1 45 . 1 1 44 44 GLU H H 1 8.61 0.05 . 1 . . . . 24 GLU H . 10062 1 46 . 1 1 44 44 GLU N N 15 118.9 0.5 . 1 . . . . 24 GLU N . 10062 1 47 . 1 1 45 45 ARG H H 1 7.44 0.05 . 1 . . . . 25 ARG H . 10062 1 48 . 1 1 45 45 ARG N N 15 119.7 0.5 . 1 . . . . 25 ARG N . 10062 1 49 . 1 1 46 46 ILE H H 1 7.81 0.05 . 1 . . . . 26 ILE H . 10062 1 50 . 1 1 46 46 ILE N N 15 121.3 0.5 . 1 . . . . 26 ILE N . 10062 1 51 . 1 1 47 47 LYS H H 1 7.78 0.05 . 1 . . . . 27 LYS H . 10062 1 52 . 1 1 47 47 LYS N N 15 117.9 0.5 . 1 . . . . 27 LYS N . 10062 1 53 . 1 1 48 48 GLU H H 1 7.84 0.05 . 1 . . . . 28 GLU H . 10062 1 54 . 1 1 48 48 GLU N N 15 121.8 0.5 . 1 . . . . 28 GLU N . 10062 1 55 . 1 1 49 49 ARG H H 1 8.10 0.05 . 1 . . . . 29 ARG H . 10062 1 56 . 1 1 49 49 ARG N N 15 121.3 0.5 . 1 . . . . 29 ARG N . 10062 1 57 . 1 1 50 50 VAL H H 1 8.31 0.05 . 1 . . . . 30 VAL H . 10062 1 58 . 1 1 50 50 VAL N N 15 122.1 0.5 . 1 . . . . 30 VAL N . 10062 1 59 . 1 1 52 52 GLU H H 1 7.95 0.05 . 1 . . . . 32 GLU H . 10062 1 60 . 1 1 52 52 GLU N N 15 120.1 0.5 . 1 . . . . 32 GLU N . 10062 1 61 . 1 1 53 53 LYS H H 1 7.30 0.05 . 1 . . . . 33 LYS H . 10062 1 62 . 1 1 53 53 LYS N N 15 116.0 0.5 . 1 . . . . 33 LYS N . 10062 1 63 . 1 1 54 54 GLU H H 1 8.66 0.05 . 1 . . . . 34 GLU H . 10062 1 64 . 1 1 54 54 GLU N N 15 116.3 0.5 . 1 . . . . 34 GLU N . 10062 1 65 . 1 1 55 55 GLY H H 1 8.64 0.05 . 1 . . . . 35 GLY H . 10062 1 66 . 1 1 55 55 GLY N N 15 109.7 0.5 . 1 . . . . 35 GLY N . 10062 1 67 . 1 1 56 56 ILE H H 1 6.27 0.05 . 1 . . . . 36 ILE H . 10062 1 68 . 1 1 56 56 ILE N N 15 121.1 0.5 . 1 . . . . 36 ILE N . 10062 1 69 . 1 1 59 59 GLN H H 1 8.90 0.05 . 1 . . . . 39 GLN H . 10062 1 70 . 1 1 59 59 GLN N N 15 115.6 0.5 . 1 . . . . 39 GLN N . 10062 1 71 . 1 1 60 60 GLN H H 1 7.92 0.05 . 1 . . . . 40 GLN H . 10062 1 72 . 1 1 60 60 GLN N N 15 117.5 0.5 . 1 . . . . 40 GLN N . 10062 1 73 . 1 1 61 61 GLN H H 1 7.62 0.05 . 1 . . . . 41 GLN H . 10062 1 74 . 1 1 61 61 GLN N N 15 119.1 0.5 . 1 . . . . 41 GLN N . 10062 1 75 . 1 1 62 62 ARG H H 1 8.67 0.05 . 1 . . . . 42 ARG H . 10062 1 76 . 1 1 62 62 ARG N N 15 123.6 0.5 . 1 . . . . 42 ARG N . 10062 1 77 . 1 1 63 63 LEU H H 1 8.49 0.05 . 1 . . . . 43 LEU H . 10062 1 78 . 1 1 63 63 LEU N N 15 124.0 0.5 . 1 . . . . 43 LEU N . 10062 1 79 . 1 1 64 64 ILE H H 1 9.23 0.05 . 1 . . . . 44 ILE H . 10062 1 80 . 1 1 64 64 ILE N N 15 124.6 0.5 . 1 . . . . 44 ILE N . 10062 1 81 . 1 1 65 65 TYR H H 1 8.78 0.05 . 1 . . . . 45 TYR H . 10062 1 82 . 1 1 65 65 TYR N N 15 126.4 0.5 . 1 . . . . 45 TYR N . 10062 1 83 . 1 1 66 66 SER H H 1 9.07 0.05 . 1 . . . . 46 SER H . 10062 1 84 . 1 1 66 66 SER N N 15 126.8 0.5 . 1 . . . . 46 SER N . 10062 1 85 . 1 1 67 67 GLY H H 1 8.38 0.05 . 1 . . . . 47 GLY H . 10062 1 86 . 1 1 67 67 GLY N N 15 104.5 0.5 . 1 . . . . 47 GLY N . 10062 1 87 . 1 1 68 68 LYS H H 1 7.80 0.05 . 1 . . . . 48 LYS H . 10062 1 88 . 1 1 68 68 LYS N N 15 121.9 0.5 . 1 . . . . 48 LYS N . 10062 1 89 . 1 1 69 69 GLN H H 1 8.78 0.05 . 1 . . . . 49 GLN H . 10062 1 90 . 1 1 69 69 GLN N N 15 124.5 0.5 . 1 . . . . 49 GLN N . 10062 1 91 . 1 1 70 70 MET H H 1 8.62 0.05 . 1 . . . . 50 MET H . 10062 1 92 . 1 1 70 70 MET N N 15 126.5 0.5 . 1 . . . . 50 MET N . 10062 1 93 . 1 1 71 71 ASN H H 1 8.60 0.05 . 1 . . . . 51 ASN H . 10062 1 94 . 1 1 71 71 ASN N N 15 123.9 0.5 . 1 . . . . 51 ASN N . 10062 1 95 . 1 1 72 72 ASP H H 1 8.50 0.05 . 1 . . . . 52 ASP H . 10062 1 96 . 1 1 72 72 ASP N N 15 124.3 0.5 . 1 . . . . 52 ASP N . 10062 1 97 . 1 1 73 73 GLU H H 1 8.77 0.05 . 1 . . . . 53 GLU H . 10062 1 98 . 1 1 73 73 GLU N N 15 115.2 0.5 . 1 . . . . 53 GLU N . 10062 1 99 . 1 1 74 74 LYS H H 1 7.56 0.05 . 1 . . . . 54 LYS H . 10062 1 100 . 1 1 74 74 LYS N N 15 121.4 0.5 . 1 . . . . 54 LYS N . 10062 1 101 . 1 1 75 75 THR H H 1 9.19 0.05 . 1 . . . . 55 THR H . 10062 1 102 . 1 1 75 75 THR N N 15 109.5 0.5 . 1 . . . . 55 THR N . 10062 1 103 . 1 1 76 76 ALA H H 1 8.33 0.05 . 1 . . . . 56 ALA H . 10062 1 104 . 1 1 76 76 ALA N N 15 122.2 0.5 . 1 . . . . 56 ALA N . 10062 1 105 . 1 1 77 77 ALA H H 1 8.45 0.05 . 1 . . . . 57 ALA H . 10062 1 106 . 1 1 77 77 ALA N N 15 120.8 0.5 . 1 . . . . 57 ALA N . 10062 1 107 . 1 1 78 78 ASP H H 1 7.93 0.05 . 1 . . . . 58 ASP H . 10062 1 108 . 1 1 78 78 ASP N N 15 121.4 0.5 . 1 . . . . 58 ASP N . 10062 1 109 . 1 1 79 79 TYR H H 1 7.37 0.05 . 1 . . . . 59 TYR H . 10062 1 110 . 1 1 79 79 TYR N N 15 116.9 0.5 . 1 . . . . 59 TYR N . 10062 1 111 . 1 1 80 80 LYS H H 1 8.00 0.05 . 1 . . . . 60 LYS H . 10062 1 112 . 1 1 80 80 LYS N N 15 116.5 0.5 . 1 . . . . 60 LYS N . 10062 1 113 . 1 1 81 81 ILE H H 1 7.11 0.05 . 1 . . . . 61 ILE H . 10062 1 114 . 1 1 81 81 ILE N N 15 119.1 0.5 . 1 . . . . 61 ILE N . 10062 1 115 . 1 1 82 82 LEU H H 1 7.21 0.05 . 1 . . . . 62 LEU H . 10062 1 116 . 1 1 82 82 LEU N N 15 125.8 0.5 . 1 . . . . 62 LEU N . 10062 1 117 . 1 1 83 83 GLY H H 1 8.68 0.05 . 1 . . . . 63 GLY H . 10062 1 118 . 1 1 83 83 GLY N N 15 108.5 0.5 . 1 . . . . 63 GLY N . 10062 1 119 . 1 1 84 84 GLY H H 1 9.27 0.05 . 1 . . . . 64 GLY H . 10062 1 120 . 1 1 84 84 GLY N N 15 114.4 0.5 . 1 . . . . 64 GLY N . 10062 1 121 . 1 1 85 85 SER H H 1 8.13 0.05 . 1 . . . . 65 SER H . 10062 1 122 . 1 1 85 85 SER N N 15 118.6 0.5 . 1 . . . . 65 SER N . 10062 1 123 . 1 1 86 86 VAL H H 1 8.44 0.05 . 1 . . . . 66 VAL H . 10062 1 124 . 1 1 86 86 VAL N N 15 122.1 0.5 . 1 . . . . 66 VAL N . 10062 1 125 . 1 1 87 87 LEU H H 1 9.24 0.05 . 1 . . . . 67 LEU H . 10062 1 126 . 1 1 87 87 LEU N N 15 128.8 0.5 . 1 . . . . 67 LEU N . 10062 1 127 . 1 1 88 88 HIS H H 1 9.14 0.05 . 1 . . . . 68 HIS H . 10062 1 128 . 1 1 88 88 HIS N N 15 120.5 0.5 . 1 . . . . 68 HIS N . 10062 1 129 . 1 1 89 89 LEU H H 1 8.27 0.05 . 1 . . . . 69 LEU H . 10062 1 130 . 1 1 89 89 LEU N N 15 125.3 0.5 . 1 . . . . 69 LEU N . 10062 1 131 . 1 1 90 90 VAL H H 1 9.09 0.05 . 1 . . . . 70 VAL H . 10062 1 132 . 1 1 90 90 VAL N N 15 126.9 0.5 . 1 . . . . 70 VAL N . 10062 1 133 . 1 1 91 91 LEU H H 1 8.18 0.05 . 1 . . . . 71 LEU H . 10062 1 134 . 1 1 91 91 LEU N N 15 124.3 0.5 . 1 . . . . 71 LEU N . 10062 1 135 . 1 1 92 92 ALA H H 1 8.58 0.05 . 1 . . . . 72 ALA H . 10062 1 136 . 1 1 92 92 ALA N N 15 127.7 0.5 . 1 . . . . 72 ALA N . 10062 1 137 . 1 1 93 93 LEU H H 1 8.18 0.05 . 1 . . . . 73 LEU H . 10062 1 138 . 1 1 93 93 LEU N N 15 122.7 0.5 . 1 . . . . 73 LEU N . 10062 1 139 . 1 1 94 94 ARG H H 1 8.39 0.05 . 1 . . . . 74 ARG H . 10062 1 140 . 1 1 94 94 ARG N N 15 122.6 0.5 . 1 . . . . 74 ARG N . 10062 1 141 . 1 1 95 95 GLY H H 1 8.44 0.05 . 1 . . . . 75 GLY H . 10062 1 142 . 1 1 95 95 GLY N N 15 111.9 0.5 . 1 . . . . 75 GLY N . 10062 1 143 . 1 1 96 96 GLY H H 1 7.92 0.05 . 1 . . . . 76 GLY H . 10062 1 144 . 1 1 96 96 GLY N N 15 116.1 0.5 . 1 . . . . 76 GLY N . 10062 1 stop_ save_