################################### # 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_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 17698 _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-15N HSQC' . . . 17698 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 LEU H H 1 8.37203 0 . 1 . . . . 13 LEU H . 17698 1 2 . 1 1 4 4 LEU N N 15 125.25752 0 . 1 . . . . 13 LEU N . 17698 1 3 . 1 1 5 5 GLU H H 1 8.41014 0 . 1 . . . . 14 GLU H . 17698 1 4 . 1 1 5 5 GLU N N 15 123.71100 0 . 1 . . . . 14 GLU N . 17698 1 5 . 1 1 6 6 THR H H 1 7.39125 0 . 1 . . . . 15 THR H . 17698 1 6 . 1 1 6 6 THR N N 15 110.68962 0 . 1 . . . . 15 THR N . 17698 1 7 . 1 1 7 7 PHE H H 1 8.76961 0 . 1 . . . . 16 PHE H . 17698 1 8 . 1 1 7 7 PHE N N 15 118.29302 0 . 1 . . . . 16 PHE N . 17698 1 9 . 1 1 9 9 LEU H H 1 8.67311 0 . 1 . . . . 18 LEU H . 17698 1 10 . 1 1 9 9 LEU N N 15 122.65984 0 . 1 . . . . 18 LEU N . 17698 1 11 . 1 1 10 10 ASP H H 1 8.51990 0 . 1 . . . . 19 ASP H . 17698 1 12 . 1 1 10 10 ASP N N 15 112.85033 0 . 1 . . . . 19 ASP N . 17698 1 13 . 1 1 11 11 VAL H H 1 7.29171 0 . 1 . . . . 20 VAL H . 17698 1 14 . 1 1 11 11 VAL N N 15 116.34699 0 . 1 . . . . 20 VAL N . 17698 1 15 . 1 1 12 12 LEU H H 1 7.38751 0 . 1 . . . . 21 LEU H . 17698 1 16 . 1 1 12 12 LEU N N 15 117.92140 0 . 1 . . . . 21 LEU N . 17698 1 17 . 1 1 13 13 VAL H H 1 8.09738 0 . 1 . . . . 22 VAL H . 17698 1 18 . 1 1 13 13 VAL N N 15 117.72645 0 . 1 . . . . 22 VAL N . 17698 1 19 . 1 1 14 14 ASN H H 1 8.52809 0 . 1 . . . . 23 ASN H . 17698 1 20 . 1 1 14 14 ASN HD21 H 1 7.04109 0 . 1 . . . . 23 ASN HD21 . 17698 1 21 . 1 1 14 14 ASN HD22 H 1 7.77565 0 . 1 . . . . 23 ASN HD22 . 17698 1 22 . 1 1 14 14 ASN N N 15 125.13067 0 . 1 . . . . 23 ASN N . 17698 1 23 . 1 1 14 14 ASN ND2 N 15 114.06183 0 . 1 . . . . 23 ASN ND2 . 17698 1 24 . 1 1 15 15 THR H H 1 7.43881 0 . 1 . . . . 24 THR H . 17698 1 25 . 1 1 15 15 THR N N 15 114.70770 0 . 1 . . . . 24 THR N . 17698 1 26 . 1 1 16 16 ALA H H 1 9.07453 0 . 1 . . . . 25 ALA H . 17698 1 27 . 1 1 16 16 ALA N N 15 130.88751 0 . 1 . . . . 25 ALA N . 17698 1 28 . 1 1 17 17 ALA H H 1 8.71021 0 . 1 . . . . 26 ALA H . 17698 1 29 . 1 1 17 17 ALA N N 15 124.47366 0 . 1 . . . . 26 ALA N . 17698 1 30 . 1 1 18 18 GLU H H 1 9.24296 0 . 1 . . . . 27 GLU H . 17698 1 31 . 1 1 18 18 GLU N N 15 115.03522 0 . 1 . . . . 27 GLU N . 17698 1 32 . 1 1 19 19 ASP H H 1 7.78719 0 . 1 . . . . 28 ASP H . 17698 1 33 . 1 1 19 19 ASP N N 15 117.95861 0 . 1 . . . . 28 ASP N . 17698 1 34 . 1 1 20 20 LEU H H 1 7.15795 0 . 1 . . . . 29 LEU H . 17698 1 35 . 1 1 20 20 LEU N N 15 122.27161 0 . 1 . . . . 29 LEU N . 17698 1 36 . 1 1 22 22 ARG H H 1 8.48903 0 . 1 . . . . 31 ARG H . 17698 1 37 . 1 1 22 22 ARG N N 15 122.86705 0 . 1 . . . . 31 ARG N . 17698 1 38 . 1 1 23 23 GLY H H 1 8.71753 0 . 1 . . . . 32 GLY H . 17698 1 39 . 1 1 23 23 GLY N N 15 110.74864 0 . 1 . . . . 32 GLY N . 17698 1 40 . 1 1 24 24 VAL H H 1 7.16285 0 . 1 . . . . 33 VAL H . 17698 1 41 . 1 1 24 24 VAL N N 15 119.98614 0 . 1 . . . . 33 VAL N . 17698 1 42 . 1 1 25 25 ASP H H 1 6.10937 0 . 1 . . . . 34 ASP H . 17698 1 43 . 1 1 25 25 ASP N N 15 128.96387 0 . 1 . . . . 34 ASP N . 17698 1 44 . 1 1 27 27 SER H H 1 8.61685 0 . 1 . . . . 36 SER H . 17698 1 45 . 1 1 27 27 SER N N 15 114.01740 0 . 1 . . . . 36 SER N . 17698 1 46 . 1 1 28 28 ARG H H 1 7.94574 0 . 1 . . . . 37 ARG H . 17698 1 47 . 1 1 28 28 ARG N N 15 124.86105 0 . 1 . . . . 37 ARG N . 17698 1 48 . 1 1 29 29 LYS H H 1 8.96649 0 . 1 . . . . 38 LYS H . 17698 1 49 . 1 1 29 29 LYS N N 15 120.70071 0 . 1 . . . . 38 LYS N . 17698 1 50 . 1 1 30 30 GLU H H 1 10.83701 0 . 1 . . . . 39 GLU H . 17698 1 51 . 1 1 30 30 GLU N N 15 117.34044 0 . 1 . . . . 39 GLU N . 17698 1 52 . 1 1 31 31 ASN H H 1 8.06935 0 . 1 . . . . 40 ASN H . 17698 1 53 . 1 1 31 31 ASN HD21 H 1 6.92863 0 . 1 . . . . 40 ASN HD21 . 17698 1 54 . 1 1 31 31 ASN HD22 H 1 7.55965 0 . 1 . . . . 40 ASN HD22 . 17698 1 55 . 1 1 31 31 ASN N N 15 120.34125 0 . 1 . . . . 40 ASN N . 17698 1 56 . 1 1 31 31 ASN ND2 N 15 110.15981 0 . 1 . . . . 40 ASN ND2 . 17698 1 57 . 1 1 32 32 PHE H H 1 8.18984 0 . 1 . . . . 41 PHE H . 17698 1 58 . 1 1 32 32 PHE N N 15 117.31843 0 . 1 . . . . 41 PHE N . 17698 1 59 . 1 1 33 33 LEU H H 1 6.84596 0 . 1 . . . . 42 LEU H . 17698 1 60 . 1 1 33 33 LEU N N 15 117.94183 0 . 1 . . . . 42 LEU N . 17698 1 61 . 1 1 34 34 SER H H 1 10.07864 0 . 1 . . . . 43 SER H . 17698 1 62 . 1 1 34 34 SER N N 15 119.89397 0 . 1 . . . . 43 SER N . 17698 1 63 . 1 1 35 35 ASP H H 1 9.24825 0 . 1 . . . . 44 ASP H . 17698 1 64 . 1 1 35 35 ASP N N 15 122.62089 0 . 1 . . . . 44 ASP N . 17698 1 65 . 1 1 36 36 GLU H H 1 8.92805 0 . 1 . . . . 45 GLU H . 17698 1 66 . 1 1 36 36 GLU N N 15 119.55726 0 . 1 . . . . 45 GLU N . 17698 1 67 . 1 1 37 37 ASP H H 1 8.03808 0 . 1 . . . . 46 ASP H . 17698 1 68 . 1 1 37 37 ASP N N 15 122.69933 0 . 1 . . . . 46 ASP N . 17698 1 69 . 1 1 38 38 PHE H H 1 9.28123 0 . 1 . . . . 47 PHE H . 17698 1 70 . 1 1 38 38 PHE N N 15 121.80492 0 . 1 . . . . 47 PHE N . 17698 1 71 . 1 1 39 39 LYS H H 1 7.98876 0 . 1 . . . . 48 LYS H . 17698 1 72 . 1 1 39 39 LYS N N 15 118.12457 0 . 1 . . . . 48 LYS N . 17698 1 73 . 1 1 40 40 ALA H H 1 7.83720 0 . 1 . . . . 49 ALA H . 17698 1 74 . 1 1 40 40 ALA N N 15 122.42890 0 . 1 . . . . 49 ALA N . 17698 1 75 . 1 1 41 41 VAL H H 1 8.21531 0 . 1 . . . . 50 VAL H . 17698 1 76 . 1 1 41 41 VAL N N 15 117.45691 0 . 1 . . . . 50 VAL N . 17698 1 77 . 1 1 42 42 PHE H H 1 8.34478 0 . 1 . . . . 51 PHE H . 17698 1 78 . 1 1 42 42 PHE N N 15 113.37193 0 . 1 . . . . 51 PHE N . 17698 1 79 . 1 1 43 43 GLY H H 1 8.27982 0 . 1 . . . . 52 GLY H . 17698 1 80 . 1 1 43 43 GLY N N 15 108.75209 0 . 1 . . . . 52 GLY N . 17698 1 81 . 1 1 44 44 MET H H 1 7.56724 0 . 1 . . . . 53 MET H . 17698 1 82 . 1 1 44 44 MET N N 15 112.82647 0 . 1 . . . . 53 MET N . 17698 1 83 . 1 1 45 45 THR H H 1 8.24373 0 . 1 . . . . 54 THR H . 17698 1 84 . 1 1 45 45 THR N N 15 107.34472 0 . 1 . . . . 54 THR N . 17698 1 85 . 1 1 46 46 ARG H H 1 8.59692 0 . 1 . . . . 55 ARG H . 17698 1 86 . 1 1 46 46 ARG N N 15 120.70940 0 . 1 . . . . 55 ARG N . 17698 1 87 . 1 1 47 47 SER H H 1 8.20381 0 . 1 . . . . 56 SER H . 17698 1 88 . 1 1 47 47 SER N N 15 114.02259 0 . 1 . . . . 56 SER N . 17698 1 89 . 1 1 48 48 ALA H H 1 7.60420 0 . 1 . . . . 57 ALA H . 17698 1 90 . 1 1 48 48 ALA N N 15 125.45023 0 . 1 . . . . 57 ALA N . 17698 1 91 . 1 1 49 49 PHE H H 1 8.27260 0 . 1 . . . . 58 PHE H . 17698 1 92 . 1 1 49 49 PHE N N 15 120.99088 0 . 1 . . . . 58 PHE N . 17698 1 93 . 1 1 50 50 ALA H H 1 7.92235 0 . 1 . . . . 59 ALA H . 17698 1 94 . 1 1 50 50 ALA N N 15 118.02451 0 . 1 . . . . 59 ALA N . 17698 1 95 . 1 1 51 51 ASN H H 1 7.17970 0 . 1 . . . . 60 ASN H . 17698 1 96 . 1 1 51 51 ASN HD21 H 1 6.84943 0 . 1 . . . . 60 ASN HD21 . 17698 1 97 . 1 1 51 51 ASN HD22 H 1 7.52298 0 . 1 . . . . 60 ASN HD22 . 17698 1 98 . 1 1 51 51 ASN N N 15 113.47061 0 . 1 . . . . 60 ASN N . 17698 1 99 . 1 1 51 51 ASN ND2 N 15 112.66805 0 . 1 . . . . 60 ASN ND2 . 17698 1 100 . 1 1 52 52 LEU H H 1 7.43301 0 . 1 . . . . 61 LEU H . 17698 1 101 . 1 1 52 52 LEU N N 15 122.16151 0 . 1 . . . . 61 LEU N . 17698 1 102 . 1 1 54 54 LEU H H 1 8.89500 0 . 1 . . . . 63 LEU H . 17698 1 103 . 1 1 54 54 LEU N N 15 125.90550 0 . 1 . . . . 63 LEU N . 17698 1 104 . 1 1 55 55 TRP H H 1 8.01371 0 . 1 . . . . 64 TRP H . 17698 1 105 . 1 1 55 55 TRP HE1 H 1 10.54116 0 . 1 . . . . 64 TRP HE1 . 17698 1 106 . 1 1 55 55 TRP N N 15 114.69732 0 . 1 . . . . 64 TRP N . 17698 1 107 . 1 1 55 55 TRP NE1 N 15 130.51295 0 . 1 . . . . 64 TRP NE1 . 17698 1 108 . 1 1 56 56 LYS H H 1 6.10739 0 . 1 . . . . 65 LYS H . 17698 1 109 . 1 1 56 56 LYS N N 15 123.74417 0 . 1 . . . . 65 LYS N . 17698 1 110 . 1 1 57 57 GLN H H 1 7.56748 0 . 1 . . . . 66 GLN H . 17698 1 111 . 1 1 57 57 GLN HE21 H 1 6.45134 0 . 1 . . . . 66 GLN HE21 . 17698 1 112 . 1 1 57 57 GLN HE22 H 1 7.26828 0 . 1 . . . . 66 GLN HE22 . 17698 1 113 . 1 1 57 57 GLN N N 15 119.15432 0 . 1 . . . . 66 GLN N . 17698 1 114 . 1 1 57 57 GLN NE2 N 15 113.27837 0 . 1 . . . . 66 GLN NE2 . 17698 1 115 . 1 1 58 58 GLN H H 1 8.37899 0 . 1 . . . . 67 GLN H . 17698 1 116 . 1 1 58 58 GLN HE21 H 1 7.12311 0 . 1 . . . . 67 GLN HE21 . 17698 1 117 . 1 1 58 58 GLN HE22 H 1 7.59648 0 . 1 . . . . 67 GLN HE22 . 17698 1 118 . 1 1 58 58 GLN N N 15 115.35572 0 . 1 . . . . 67 GLN N . 17698 1 119 . 1 1 58 58 GLN NE2 N 15 111.42596 0 . 1 . . . . 67 GLN NE2 . 17698 1 120 . 1 1 59 59 ASN H H 1 8.03927 0 . 1 . . . . 68 ASN H . 17698 1 121 . 1 1 59 59 ASN HD21 H 1 7.29641 0 . 1 . . . . 68 ASN HD21 . 17698 1 122 . 1 1 59 59 ASN HD22 H 1 7.87299 0 . 1 . . . . 68 ASN HD22 . 17698 1 123 . 1 1 59 59 ASN N N 15 119.17228 0 . 1 . . . . 68 ASN N . 17698 1 124 . 1 1 59 59 ASN ND2 N 15 110.66734 0 . 1 . . . . 68 ASN ND2 . 17698 1 125 . 1 1 60 60 LEU H H 1 8.50305 0 . 1 . . . . 69 LEU H . 17698 1 126 . 1 1 60 60 LEU N N 15 121.34387 0 . 1 . . . . 69 LEU N . 17698 1 127 . 1 1 61 61 LYS H H 1 8.44423 0 . 1 . . . . 70 LYS H . 17698 1 128 . 1 1 61 61 LYS N N 15 117.17512 0 . 1 . . . . 70 LYS N . 17698 1 129 . 1 1 62 62 LYS H H 1 8.70356 0 . 1 . . . . 71 LYS H . 17698 1 130 . 1 1 62 62 LYS N N 15 120.44984 0 . 1 . . . . 71 LYS N . 17698 1 131 . 1 1 63 63 GLU H H 1 8.15249 0 . 1 . . . . 72 GLU H . 17698 1 132 . 1 1 63 63 GLU N N 15 119.88080 0 . 1 . . . . 72 GLU N . 17698 1 133 . 1 1 64 64 LYS H H 1 7.51079 0 . 1 . . . . 73 LYS H . 17698 1 134 . 1 1 64 64 LYS N N 15 113.90611 0 . 1 . . . . 73 LYS N . 17698 1 135 . 1 1 65 65 GLY H H 1 7.66820 0 . 1 . . . . 74 GLY H . 17698 1 136 . 1 1 65 65 GLY N N 15 106.22388 0 . 1 . . . . 74 GLY N . 17698 1 137 . 1 1 66 66 LEU H H 1 8.44106 0 . 1 . . . . 75 LEU H . 17698 1 138 . 1 1 66 66 LEU N N 15 119.15260 0 . 1 . . . . 75 LEU N . 17698 1 139 . 1 1 67 67 PHE H H 1 7.93552 0 . 1 . . . . 76 PHE H . 17698 1 140 . 1 1 67 67 PHE N N 15 127.72337 0 . 1 . . . . 76 PHE N . 17698 1 stop_ save_