################################### # 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_bz_cs_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode bz_cs_1 _Assigned_chem_shift_list.Entry_ID 5725 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $condition_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _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 15N-HSQC . . . 5725 1 2 HNCO . . . 5725 1 3 '1H-1H-15N TOCSY' . . . 5725 1 4 '1H-1H-15N NOESY' . . . 5725 1 5 'long range HNCO (H-bond)' . . . 5725 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 CYS N N 15 117.5 . . 1 . . . . . . . . 5725 1 2 . 1 1 4 4 CYS H H 1 8.65 . . 1 . . . . . . . . 5725 1 3 . 1 1 4 4 CYS C C 13 174.4 . . 1 . . . . . . . . 5725 1 4 . 1 1 5 5 LYS N N 15 119.2 . . 1 . . . . . . . . 5725 1 5 . 1 1 5 5 LYS H H 1 8.05 . . 1 . . . . . . . . 5725 1 6 . 1 1 5 5 LYS C C 13 176.7 . . 1 . . . . . . . . 5725 1 7 . 1 1 6 6 LYS N N 15 121.6 . . 1 . . . . . . . . 5725 1 8 . 1 1 6 6 LYS H H 1 8.90 . . 1 . . . . . . . . 5725 1 9 . 1 1 6 6 LYS C C 13 176.0 . . 1 . . . . . . . . 5725 1 10 . 1 1 7 7 VAL N N 15 127.7 . . 1 . . . . . . . . 5725 1 11 . 1 1 7 7 VAL H H 1 8.78 . . 1 . . . . . . . . 5725 1 12 . 1 1 7 7 VAL C C 13 175.2 . . 1 . . . . . . . . 5725 1 13 . 1 1 8 8 TYR N N 15 130.2 . . 1 . . . . . . . . 5725 1 14 . 1 1 8 8 TYR H H 1 9.22 . . 1 . . . . . . . . 5725 1 15 . 1 1 8 8 TYR C C 13 175.2 . . 1 . . . . . . . . 5725 1 16 . 1 1 9 9 GLU N N 15 130.9 . . 1 . . . . . . . . 5725 1 17 . 1 1 9 9 GLU H H 1 8.99 . . 1 . . . . . . . . 5725 1 18 . 1 1 9 9 GLU C C 13 176.94 . . 1 . . . . . . . . 5725 1 19 . 1 1 10 10 ASN N N 15 116.3 . . 1 . . . . . . . . 5725 1 20 . 1 1 10 10 ASN H H 1 9.25 . . 1 . . . . . . . . 5725 1 21 . 1 1 10 10 ASN C C 13 174.5 . . 1 . . . . . . . . 5725 1 22 . 1 1 11 11 TYR N N 15 122.7 . . 1 . . . . . . . . 5725 1 23 . 1 1 11 11 TYR H H 1 7.51 . . 1 . . . . . . . . 5725 1 24 . 1 1 12 12 PRO C C 13 177.2 . . 1 . . . . . . . . 5725 1 25 . 1 1 13 13 VAL N N 15 124.1 . . 1 . . . . . . . . 5725 1 26 . 1 1 13 13 VAL H H 1 8.03 . . 1 . . . . . . . . 5725 1 27 . 1 1 13 13 VAL C C 13 178.7 . . 1 . . . . . . . . 5725 1 28 . 1 1 14 14 SER N N 15 117.4 . . 1 . . . . . . . . 5725 1 29 . 1 1 14 14 SER H H 1 8.37 . . 1 . . . . . . . . 5725 1 30 . 1 1 14 14 SER C C 13 177.9 . . 1 . . . . . . . . 5725 1 31 . 1 1 15 15 LYS N N 15 121.4 . . 1 . . . . . . . . 5725 1 32 . 1 1 15 15 LYS H H 1 7.85 . . 1 . . . . . . . . 5725 1 33 . 1 1 15 15 LYS C C 13 178.9 . . 1 . . . . . . . . 5725 1 34 . 1 1 16 16 CYS N N 15 115.8 . . 1 . . . . . . . . 5725 1 35 . 1 1 16 16 CYS H H 1 7.86 . . 1 . . . . . . . . 5725 1 36 . 1 1 16 16 CYS C C 13 176.0 . . 1 . . . . . . . . 5725 1 37 . 1 1 17 17 GLN N N 15 115.6 . . 1 . . . . . . . . 5725 1 38 . 1 1 17 17 GLN H H 1 7.37 . . 1 . . . . . . . . 5725 1 39 . 1 1 17 17 GLN C C 13 175.5 . . 1 . . . . . . . . 5725 1 40 . 1 1 18 18 LEU N N 15 121.3 . . 1 . . . . . . . . 5725 1 41 . 1 1 18 18 LEU H H 1 7.30 . . 1 . . . . . . . . 5725 1 42 . 1 1 18 18 LEU C C 13 176.4 . . 1 . . . . . . . . 5725 1 43 . 1 1 19 19 ALA N N 15 127.9 . . 1 . . . . . . . . 5725 1 44 . 1 1 19 19 ALA H H 1 8.53 . . 1 . . . . . . . . 5725 1 45 . 1 1 19 19 ALA C C 13 178.9 . . 1 . . . . . . . . 5725 1 46 . 1 1 20 20 ASN N N 15 116.2 . . 1 . . . . . . . . 5725 1 47 . 1 1 20 20 ASN H H 1 9.04 . . 1 . . . . . . . . 5725 1 48 . 1 1 20 20 ASN C C 13 175.2 . . 1 . . . . . . . . 5725 1 49 . 1 1 21 21 GLN N N 15 123.1 . . 1 . . . . . . . . 5725 1 50 . 1 1 21 21 GLN H H 1 7.67 . . 1 . . . . . . . . 5725 1 51 . 1 1 21 21 GLN C C 13 176.6 . . 1 . . . . . . . . 5725 1 52 . 1 1 22 22 CYS N N 15 119.3 . . 1 . . . . . . . . 5725 1 53 . 1 1 22 22 CYS H H 1 8.46 . . 1 . . . . . . . . 5725 1 54 . 1 1 22 22 CYS C C 13 175.8 . . 1 . . . . . . . . 5725 1 55 . 1 1 23 23 ASN N N 15 119.0 . . 1 . . . . . . . . 5725 1 56 . 1 1 23 23 ASN H H 1 7.93 . . 1 . . . . . . . . 5725 1 57 . 1 1 23 23 ASN C C 13 175.8 . . 1 . . . . . . . . 5725 1 58 . 1 1 24 24 TYR N N 15 118.2 . . 1 . . . . . . . . 5725 1 59 . 1 1 24 24 TYR H H 1 8.09 . . 1 . . . . . . . . 5725 1 60 . 1 1 24 24 TYR C C 13 178.1 . . 1 . . . . . . . . 5725 1 61 . 1 1 25 25 ASP N N 15 120.0 . . 1 . . . . . . . . 5725 1 62 . 1 1 25 25 ASP H H 1 9.06 . . 1 . . . . . . . . 5725 1 63 . 1 1 25 25 ASP C C 13 180.1 . . 1 . . . . . . . . 5725 1 64 . 1 1 26 26 CYS N N 15 120.3 . . 1 . . . . . . . . 5725 1 65 . 1 1 26 26 CYS H H 1 9.28 . . 1 . . . . . . . . 5725 1 66 . 1 1 26 26 CYS C C 13 177.9 . . 1 . . . . . . . . 5725 1 67 . 1 1 27 27 LYS N N 15 120.1 . . 1 . . . . . . . . 5725 1 68 . 1 1 27 27 LYS H H 1 7.67 . . 1 . . . . . . . . 5725 1 69 . 1 1 27 27 LYS C C 13 179.0 . . 1 . . . . . . . . 5725 1 70 . 1 1 28 28 LEU N N 15 120.1 . . 1 . . . . . . . . 5725 1 71 . 1 1 28 28 LEU H H 1 8.28 . . 1 . . . . . . . . 5725 1 72 . 1 1 28 28 LEU C C 13 178.6 . . 1 . . . . . . . . 5725 1 73 . 1 1 29 29 ASP N N 15 117.1 . . 1 . . . . . . . . 5725 1 74 . 1 1 29 29 ASP H H 1 8.99 . . 1 . . . . . . . . 5725 1 75 . 1 1 29 29 ASP C C 13 178.6 . . 1 . . . . . . . . 5725 1 76 . 1 1 30 30 LYS N N 15 112.3 . . 1 . . . . . . . . 5725 1 77 . 1 1 30 30 LYS H H 1 6.63 . . 1 . . . . . . . . 5725 1 78 . 1 1 30 30 LYS C C 13 176.8 . . 1 . . . . . . . . 5725 1 79 . 1 1 31 31 HIS N N 15 113.2 . . 1 . . . . . . . . 5725 1 80 . 1 1 31 31 HIS H H 1 7.03 . . 1 . . . . . . . . 5725 1 81 . 1 1 31 31 HIS C C 13 174.1 . . 1 . . . . . . . . 5725 1 82 . 1 1 32 32 ALA N N 15 120.3 . . 1 . . . . . . . . 5725 1 83 . 1 1 32 32 ALA H H 1 7.66 . . 1 . . . . . . . . 5725 1 84 . 1 1 32 32 ALA C C 13 175.8 . . 1 . . . . . . . . 5725 1 85 . 1 1 33 33 ARG N N 15 116.9 . . 1 . . . . . . . . 5725 1 86 . 1 1 33 33 ARG H H 1 8.26 . . 1 . . . . . . . . 5725 1 87 . 1 1 33 33 ARG C C 13 176.9 . . 1 . . . . . . . . 5725 1 88 . 1 1 34 34 SER N N 15 109.4 . . 1 . . . . . . . . 5725 1 89 . 1 1 34 34 SER H H 1 7.99 . . 1 . . . . . . . . 5725 1 90 . 1 1 34 34 SER C C 13 173.3 . . 1 . . . . . . . . 5725 1 91 . 1 1 35 35 GLY N N 15 107.7 . . 1 . . . . . . . . 5725 1 92 . 1 1 35 35 GLY H H 1 8.60 . . 1 . . . . . . . . 5725 1 93 . 1 1 35 35 GLY C C 13 171.0 . . 1 . . . . . . . . 5725 1 94 . 1 1 36 36 GLU N N 15 119.0 . . 1 . . . . . . . . 5725 1 95 . 1 1 36 36 GLU H H 1 8.28 . . 1 . . . . . . . . 5725 1 96 . 1 1 36 36 GLU C C 13 174.5 . . 1 . . . . . . . . 5725 1 97 . 1 1 37 37 CYS N N 15 120.6 . . 1 . . . . . . . . 5725 1 98 . 1 1 37 37 CYS H H 1 8.76 . . 1 . . . . . . . . 5725 1 99 . 1 1 37 37 CYS C C 13 173.8 . . 1 . . . . . . . . 5725 1 100 . 1 1 38 38 PHE N N 15 121.2 . . 1 . . . . . . . . 5725 1 101 . 1 1 38 38 PHE H H 1 9.02 . . 1 . . . . . . . . 5725 1 102 . 1 1 38 38 PHE C C 13 175.2 . . 1 . . . . . . . . 5725 1 103 . 1 1 39 39 TYR N N 15 121.8 . . 1 . . . . . . . . 5725 1 104 . 1 1 39 39 TYR H H 1 8.61 . . 1 . . . . . . . . 5725 1 105 . 1 1 39 39 TYR C C 13 176.9 . . 1 . . . . . . . . 5725 1 106 . 1 1 40 40 ASP N N 15 123.4 . . 1 . . . . . . . . 5725 1 107 . 1 1 40 40 ASP H H 1 8.59 . . 1 . . . . . . . . 5725 1 108 . 1 1 40 40 ASP C C 13 178.7 . . 1 . . . . . . . . 5725 1 109 . 1 1 41 41 GLU N N 15 118.2 . . 1 . . . . . . . . 5725 1 110 . 1 1 41 41 GLU H H 1 9.02 . . 1 . . . . . . . . 5725 1 111 . 1 1 41 41 GLU C C 13 177.5 . . 1 . . . . . . . . 5725 1 112 . 1 1 42 42 LYS N N 15 120.2 . . 1 . . . . . . . . 5725 1 113 . 1 1 42 42 LYS H H 1 8.14 . . 1 . . . . . . . . 5725 1 114 . 1 1 42 42 LYS C C 13 175.4 . . 1 . . . . . . . . 5725 1 115 . 1 1 43 43 ARG N N 15 113.7 . . 1 . . . . . . . . 5725 1 116 . 1 1 43 43 ARG H H 1 8.30 . . 1 . . . . . . . . 5725 1 117 . 1 1 43 43 ARG C C 13 175.2 . . 1 . . . . . . . . 5725 1 118 . 1 1 44 44 ASN N N 15 118.3 . . 1 . . . . . . . . 5725 1 119 . 1 1 44 44 ASN H H 1 8.71 . . 1 . . . . . . . . 5725 1 120 . 1 1 44 44 ASN C C 13 175.2 . . 1 . . . . . . . . 5725 1 121 . 1 1 45 45 LEU N N 15 126.2 . . 1 . . . . . . . . 5725 1 122 . 1 1 45 45 LEU H H 1 8.46 . . 1 . . . . . . . . 5725 1 123 . 1 1 45 45 LEU C C 13 175.8 . . 1 . . . . . . . . 5725 1 124 . 1 1 46 46 GLN N N 15 120.7 . . 1 . . . . . . . . 5725 1 125 . 1 1 46 46 GLN H H 1 8.46 . . 1 . . . . . . . . 5725 1 126 . 1 1 46 46 GLN C C 13 174.8 . . 1 . . . . . . . . 5725 1 127 . 1 1 47 47 CYS N N 15 122.2 . . 1 . . . . . . . . 5725 1 128 . 1 1 47 47 CYS H H 1 9.19 . . 1 . . . . . . . . 5725 1 129 . 1 1 47 47 CYS C C 13 172.1 . . 1 . . . . . . . . 5725 1 130 . 1 1 48 48 ILE N N 15 129.4 . . 1 . . . . . . . . 5725 1 131 . 1 1 48 48 ILE H H 1 8.73 . . 1 . . . . . . . . 5725 1 132 . 1 1 48 48 ILE C C 13 175.8 . . 1 . . . . . . . . 5725 1 133 . 1 1 49 49 CYS N N 15 126.2 . . 1 . . . . . . . . 5725 1 134 . 1 1 49 49 CYS H H 1 8.51 . . 1 . . . . . . . . 5725 1 135 . 1 1 49 49 CYS C C 13 172.9 . . 1 . . . . . . . . 5725 1 136 . 1 1 50 50 ASP N N 15 122.6 . . 1 . . . . . . . . 5725 1 137 . 1 1 50 50 ASP H H 1 8.81 . . 1 . . . . . . . . 5725 1 138 . 1 1 50 50 ASP C C 13 176.5 . . 1 . . . . . . . . 5725 1 139 . 1 1 51 51 TYR N N 15 125.4 . . 1 . . . . . . . . 5725 1 140 . 1 1 51 51 TYR H H 1 9.60 . . 1 . . . . . . . . 5725 1 141 . 1 1 51 51 TYR C C 13 175.8 . . 1 . . . . . . . . 5725 1 142 . 1 1 52 52 CYS N N 15 120.7 . . 1 . . . . . . . . 5725 1 143 . 1 1 52 52 CYS H H 1 9.57 . . 1 . . . . . . . . 5725 1 144 . 1 1 52 52 CYS C C 13 173.3 . . 1 . . . . . . . . 5725 1 145 . 1 1 53 53 GLU N N 15 121.3 . . 1 . . . . . . . . 5725 1 146 . 1 1 53 53 GLU H H 1 8.35 . . 1 . . . . . . . . 5725 1 147 . 1 1 53 53 GLU C C 13 174.5 . . 1 . . . . . . . . 5725 1 148 . 1 1 54 54 TYR N N 15 125.6 . . 1 . . . . . . . . 5725 1 149 . 1 1 54 54 TYR H H 1 7.71 . . 1 . . . . . . . . 5725 1 150 . 1 1 54 54 TYR C C 13 180.5 . . 1 . . . . . . . . 5725 1 stop_ save_