################################### # 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 27866 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _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 2 '3D HNHA' . . . 27866 1 3 '3D HNCACB' . . . 27866 1 4 '3D CBCA(CO)NH' . . . 27866 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.Ambiguity_set_ID _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 11 11 ASP CA C 13 53.990002 . . 1 . . . . . 9 D CA . 27866 1 2 . 1 1 11 11 ASP CB C 13 41.200001 . . 1 . . . . . 9 D CB . 27866 1 3 . 1 1 12 12 TYR H H 1 8.156000 . . 1 . . . . . 10 Y HN . 27866 1 4 . 1 1 12 12 TYR HA H 1 4.479000 . . 1 . . . . . 10 Y HA . 27866 1 5 . 1 1 12 12 TYR CA C 13 58.099998 . . 1 . . . . . 10 Y CA . 27866 1 6 . 1 1 12 12 TYR CB C 13 38.439999 . . 1 . . . . . 10 Y CB . 27866 1 7 . 1 1 12 12 TYR N N 15 121.199997 . . 1 . . . . . 10 Y N . 27866 1 8 . 1 1 13 13 GLY H H 1 8.318000 . . 1 . . . . . 11 G HN . 27866 1 9 . 1 1 13 13 GLY HA2 H 1 3.965000 . . 1 . . . . . 11 G HA# . 27866 1 10 . 1 1 13 13 GLY HA3 H 1 3.965000 . . 1 . . . . . 11 G HA# . 27866 1 11 . 1 1 13 13 GLY CA C 13 45.090000 . . 1 . . . . . 11 G CA . 27866 1 12 . 1 1 13 13 GLY N N 15 108.900002 . . 1 . . . . . 11 G N . 27866 1 13 . 1 1 14 14 ASP H H 1 8.540000 . . 1 . . . . . 12 D HN . 27866 1 14 . 1 1 14 14 ASP CA C 13 54.810001 . . 1 . . . . . 12 D CA . 27866 1 15 . 1 1 14 14 ASP CB C 13 40.900002 . . 1 . . . . . 12 D CB . 27866 1 16 . 1 1 14 14 ASP N N 15 124.099998 . . 1 . . . . . 12 D N . 27866 1 17 . 1 1 15 15 HIS H H 1 8.333000 . . 1 . . . . . 13 H HN . 27866 1 18 . 1 1 15 15 HIS CA C 13 56.330002 . . 1 . . . . . 13 H CA . 27866 1 19 . 1 1 15 15 HIS CB C 13 32.560001 . . 1 . . . . . 13 H CB . 27866 1 20 . 1 1 15 15 HIS N N 15 120.900002 . . 1 . . . . . 13 H N . 27866 1 21 . 1 1 16 16 VAL H H 1 8.835000 . . 1 . . . . . 14 V HN . 27866 1 22 . 1 1 16 16 VAL CA C 13 59.650002 . . 1 . . . . . 14 V CA . 27866 1 23 . 1 1 16 16 VAL CB C 13 35.360001 . . 1 . . . . . 14 V CB . 27866 1 24 . 1 1 16 16 VAL N N 15 113.099998 . . 1 . . . . . 14 V N . 27866 1 25 . 1 1 17 17 VAL H H 1 8.604000 . . 1 . . . . . 15 V HN . 27866 1 26 . 1 1 17 17 VAL CA C 13 61.520000 . . 1 . . . . . 15 V CA . 27866 1 27 . 1 1 17 17 VAL CB C 13 33.730000 . . 1 . . . . . 15 V CB . 27866 1 28 . 1 1 17 17 VAL N N 15 122.800003 . . 1 . . . . . 15 V N . 27866 1 29 . 1 1 18 18 LEU H H 1 8.973000 . . 1 . . . . . 16 L HN . 27866 1 30 . 1 1 18 18 LEU CA C 13 53.320000 . . 1 . . . . . 16 L CA . 27866 1 31 . 1 1 18 18 LEU CB C 13 44.320000 . . 1 . . . . . 16 L CB . 27866 1 32 . 1 1 18 18 LEU N N 15 126.400002 . . 1 . . . . . 16 L N . 27866 1 33 . 1 1 19 19 ARG H H 1 8.871000 . . 1 . . . . . 17 R HN . 27866 1 34 . 1 1 19 19 ARG CA C 13 55.029999 . . 1 . . . . . 17 R CA . 27866 1 35 . 1 1 19 19 ARG CB C 13 34.580002 . . 1 . . . . . 17 R CB . 27866 1 36 . 1 1 19 19 ARG N N 15 121.699997 . . 1 . . . . . 17 R N . 27866 1 37 . 1 1 22 22 GLY CA C 13 45.759998 . . 1 . . . . . 20 G CA . 27866 1 38 . 1 1 23 23 THR H H 1 7.718000 . . 1 . . . . . 21 T HN . 27866 1 39 . 1 1 23 23 THR HA H 1 4.414000 . . 1 . . . . . 21 T HA . 27866 1 40 . 1 1 23 23 THR CA C 13 63.400002 . . 1 . . . . . 21 T CA . 27866 1 41 . 1 1 23 23 THR CB C 13 70.349998 . . 1 . . . . . 21 T CB . 27866 1 42 . 1 1 23 23 THR N N 15 119.400002 . . 1 . . . . . 21 T N . 27866 1 43 . 1 1 24 24 ARG H H 1 8.674000 . . 1 . . . . . 22 R HN . 27866 1 44 . 1 1 24 24 ARG HA H 1 5.387000 . . 1 . . . . . 22 R HA . 27866 1 45 . 1 1 24 24 ARG CA C 13 54.410000 . . 1 . . . . . 22 R CA . 27866 1 46 . 1 1 24 24 ARG CB C 13 33.560001 . . 1 . . . . . 22 R CB . 27866 1 47 . 1 1 24 24 ARG N N 15 125.500000 . . 1 . . . . . 22 R N . 27866 1 48 . 1 1 25 25 GLU H H 1 9.038000 . . 1 . . . . . 23 E HN . 27866 1 49 . 1 1 25 25 GLU HA H 1 4.675000 . . 1 . . . . . 23 E HA . 27866 1 50 . 1 1 25 25 GLU CA C 13 55.349998 . . 1 . . . . . 23 E CA . 27866 1 51 . 1 1 25 25 GLU N N 15 122.900002 . . 1 . . . . . 23 E N . 27866 1 52 . 1 1 26 26 MET H H 1 8.788000 . . 1 . . . . . 24 M HN . 27866 1 53 . 1 1 26 26 MET HA H 1 4.902000 . . 1 . . . . . 24 M HA . 27866 1 54 . 1 1 26 26 MET CA C 13 55.509998 . . 1 . . . . . 24 M CA . 27866 1 55 . 1 1 26 26 MET CB C 13 33.049999 . . 1 . . . . . 24 M CB . 27866 1 56 . 1 1 26 26 MET N N 15 125.500000 . . 1 . . . . . 24 M N . 27866 1 57 . 1 1 27 27 VAL H H 1 9.260000 . . 1 . . . . . 25 V HN . 27866 1 58 . 1 1 27 27 VAL HA H 1 4.651000 . . 1 . . . . . 25 V HA . 27866 1 59 . 1 1 27 27 VAL CA C 13 59.110001 . . 1 . . . . . 25 V CA . 27866 1 60 . 1 1 27 27 VAL CB C 13 34.599998 . . 1 . . . . . 25 V CB . 27866 1 61 . 1 1 27 27 VAL N N 15 126.599998 . . 1 . . . . . 25 V N . 27866 1 62 . 1 1 28 28 PRO CA C 13 63.040001 . . 1 . . . . . 26 P CA . 27866 1 63 . 1 1 28 28 PRO CB C 13 32.119999 . . 1 . . . . . 26 P CB . 27866 1 64 . 1 1 29 29 LEU H H 1 7.977000 . . 1 . . . . . 27 L HN . 27866 1 65 . 1 1 29 29 LEU CA C 13 53.770000 . . 1 . . . . . 27 L CA . 27866 1 66 . 1 1 29 29 LEU CB C 13 43.279999 . . 1 . . . . . 27 L CB . 27866 1 67 . 1 1 29 29 LEU N N 15 123.400002 . . 1 . . . . . 27 L N . 27866 1 68 . 1 1 30 30 ILE H H 1 7.960000 . . 1 . . . . . 28 I HN . 27866 1 69 . 1 1 30 30 ILE CA C 13 60.130001 . . 1 . . . . . 28 I CA . 27866 1 70 . 1 1 30 30 ILE CB C 13 39.570000 . . 1 . . . . . 28 I CB . 27866 1 71 . 1 1 30 30 ILE N N 15 125.000000 . . 1 . . . . . 28 I N . 27866 1 72 . 1 1 34 34 GLN CA C 13 55.770000 . . 1 . . . . . 32 Q CA . 27866 1 73 . 1 1 34 34 GLN CB C 13 28.200001 . . 1 . . . . . 32 Q CB . 27866 1 74 . 1 1 35 35 MET H H 1 7.640000 . . 1 . . . . . 33 M HN . 27866 1 75 . 1 1 35 35 MET CA C 13 59.150002 . . 1 . . . . . 33 M CA . 27866 1 76 . 1 1 35 35 MET CB C 13 33.860001 . . 1 . . . . . 33 M CB . 27866 1 77 . 1 1 35 35 MET N N 15 120.000000 . . 1 . . . . . 33 M N . 27866 1 78 . 1 1 36 36 LEU H H 1 8.606000 . . 1 . . . . . 34 L HN . 27866 1 79 . 1 1 36 36 LEU HA H 1 4.019000 . . 1 . . . . . 34 L HA . 27866 1 80 . 1 1 36 36 LEU CA C 13 58.500000 . . 1 . . . . . 34 L CA . 27866 1 81 . 1 1 36 36 LEU CB C 13 41.240002 . . 1 . . . . . 34 L CB . 27866 1 82 . 1 1 36 36 LEU N N 15 119.199997 . . 1 . . . . . 34 L N . 27866 1 83 . 1 1 37 37 ASP H H 1 7.845000 . . 1 . . . . . 35 D HN . 27866 1 84 . 1 1 37 37 ASP HA H 1 4.110000 . . 1 . . . . . 35 D HA . 27866 1 85 . 1 1 37 37 ASP CA C 13 57.560001 . . 1 . . . . . 35 D CA . 27866 1 86 . 1 1 37 37 ASP CB C 13 40.099998 . . 1 . . . . . 35 D CB . 27866 1 87 . 1 1 37 37 ASP N N 15 119.199997 . . 1 . . . . . 35 D N . 27866 1 88 . 1 1 38 38 MET H H 1 8.124000 . . 1 . . . . . 36 M HN . 27866 1 89 . 1 1 38 38 MET HA H 1 4.156000 . . 1 . . . . . 36 M HA . 27866 1 90 . 1 1 38 38 MET CA C 13 59.150002 . . 1 . . . . . 36 M CA . 27866 1 91 . 1 1 38 38 MET CB C 13 32.020000 . . 1 . . . . . 36 M CB . 27866 1 92 . 1 1 38 38 MET N N 15 119.400002 . . 1 . . . . . 36 M N . 27866 1 93 . 1 1 39 39 LEU H H 1 8.204000 . . 1 . . . . . 37 L HN . 27866 1 94 . 1 1 39 39 LEU HA H 1 4.268000 . . 1 . . . . . 37 L HA . 27866 1 95 . 1 1 39 39 LEU CA C 13 58.049999 . . 1 . . . . . 37 L CA . 27866 1 96 . 1 1 39 39 LEU N N 15 121.699997 . . 1 . . . . . 37 L N . 27866 1 97 . 1 1 40 40 MET H H 1 8.550000 . . 1 . . . . . 38 M HN . 27866 1 98 . 1 1 40 40 MET HA H 1 4.182000 . . 1 . . . . . 38 M HA . 27866 1 99 . 1 1 40 40 MET CA C 13 57.169998 . . 1 . . . . . 38 M CA . 27866 1 100 . 1 1 40 40 MET CB C 13 30.549999 . . 1 . . . . . 38 M CB . 27866 1 101 . 1 1 40 40 MET N N 15 117.500000 . . 1 . . . . . 38 M N . 27866 1 102 . 1 1 41 41 GLU H H 1 7.922000 . . 1 . . . . . 39 E HN . 27866 1 103 . 1 1 41 41 GLU HA H 1 4.112000 . . 1 . . . . . 39 E HA . 27866 1 104 . 1 1 41 41 GLU CA C 13 59.180000 . . 1 . . . . . 39 E CA . 27866 1 105 . 1 1 41 41 GLU N N 15 119.800003 . . 1 . . . . . 39 E N . 27866 1 106 . 1 1 42 42 ARG H H 1 7.824000 . . 1 . . . . . 40 R HN . 27866 1 107 . 1 1 42 42 ARG CA C 13 57.320000 . . 1 . . . . . 40 R CA . 27866 1 108 . 1 1 42 42 ARG CB C 13 28.370001 . . 1 . . . . . 40 R CB . 27866 1 109 . 1 1 42 42 ARG N N 15 119.199997 . . 1 . . . . . 40 R N . 27866 1 110 . 1 1 43 43 ALA H H 1 8.589000 . . 1 . . . . . 41 A HN . 27866 1 111 . 1 1 43 43 ALA CA C 13 55.619999 . . 1 . . . . . 41 A CA . 27866 1 112 . 1 1 43 43 ALA CB C 13 18.650000 . . 1 . . . . . 41 A CB . 27866 1 113 . 1 1 43 43 ALA N N 15 121.699997 . . 1 . . . . . 41 A N . 27866 1 114 . 1 1 44 44 ARG H H 1 8.294000 . . 1 . . . . . 42 R HN . 27866 1 115 . 1 1 44 44 ARG CA C 13 60.590000 . . 1 . . . . . 42 R CA . 27866 1 116 . 1 1 44 44 ARG CB C 13 30.049999 . . 1 . . . . . 42 R CB . 27866 1 117 . 1 1 44 44 ARG N N 15 117.400002 . . 1 . . . . . 42 R N . 27866 1 118 . 1 1 45 45 GLN H H 1 7.691000 . . 1 . . . . . 43 Q HN . 27866 1 119 . 1 1 45 45 GLN CA C 13 58.910000 . . 1 . . . . . 43 Q CA . 27866 1 120 . 1 1 45 45 GLN CB C 13 27.820000 . . 1 . . . . . 43 Q CB . 27866 1 121 . 1 1 45 45 GLN N N 15 117.300003 . . 1 . . . . . 43 Q N . 27866 1 122 . 1 1 46 46 ILE H H 1 7.903000 . . 1 . . . . . 44 I HN . 27866 1 123 . 1 1 46 46 ILE CA C 13 65.440002 . . 1 . . . . . 44 I CA . 27866 1 124 . 1 1 46 46 ILE CB C 13 38.189999 . . 1 . . . . . 44 I CB . 27866 1 125 . 1 1 46 46 ILE N N 15 121.400002 . . 1 . . . . . 44 I N . 27866 1 126 . 1 1 47 47 VAL H H 1 7.858000 . . 1 . . . . . 45 V HN . 27866 1 127 . 1 1 47 47 VAL CA C 13 66.230003 . . 1 . . . . . 45 V CA . 27866 1 128 . 1 1 47 47 VAL CB C 13 31.379999 . . 1 . . . . . 45 V CB . 27866 1 129 . 1 1 47 47 VAL N N 15 118.400002 . . 1 . . . . . 45 V N . 27866 1 130 . 1 1 48 48 GLN H H 1 8.471000 . . 1 . . . . . 46 Q HN . 27866 1 131 . 1 1 48 48 GLN CA C 13 58.230000 . . 1 . . . . . 46 Q CA . 27866 1 132 . 1 1 48 48 GLN CB C 13 27.950001 . . 1 . . . . . 46 Q CB . 27866 1 133 . 1 1 48 48 GLN N N 15 118.699997 . . 1 . . . . . 46 Q N . 27866 1 134 . 1 1 49 49 GLY H H 1 7.855000 . . 1 . . . . . 47 G HN . 27866 1 135 . 1 1 49 49 GLY HA2 H 1 3.867000 . . 1 . . . . . 47 G HA# . 27866 1 136 . 1 1 49 49 GLY HA3 H 1 3.867000 . . 1 . . . . . 47 G HA# . 27866 1 137 . 1 1 49 49 GLY CA C 13 46.130001 . . 1 . . . . . 47 G CA . 27866 1 138 . 1 1 49 49 GLY N N 15 107.500000 . . 1 . . . . . 47 G N . 27866 1 139 . 1 1 50 50 PHE H H 1 7.820000 . . 1 . . . . . 48 F HN . 27866 1 140 . 1 1 50 50 PHE CA C 13 58.930000 . . 1 . . . . . 48 F CA . 27866 1 141 . 1 1 50 50 PHE CB C 13 39.610001 . . 1 . . . . . 48 F CB . 27866 1 142 . 1 1 50 50 PHE N N 15 118.300003 . . 1 . . . . . 48 F N . 27866 1 143 . 1 1 51 51 GLY H H 1 7.897000 . . 1 . . . . . 49 G HN . 27866 1 144 . 1 1 51 51 GLY CA C 13 45.220001 . . 1 . . . . . 49 G CA . 27866 1 145 . 1 1 51 51 GLY N N 15 107.400002 . . 1 . . . . . 49 G N . 27866 1 146 . 1 1 54 54 ASP CA C 13 57.770000 . . 1 . . . . . 52 D CA . 27866 1 147 . 1 1 54 54 ASP CB C 13 46.840000 . . 1 . . . . . 52 D CB . 27866 1 148 . 1 1 55 55 THR H H 1 7.658000 . . 1 . . . . . 53 T HN . 27866 1 149 . 1 1 55 55 THR CA C 13 62.049999 . . 1 . . . . . 53 T CA . 27866 1 150 . 1 1 55 55 THR CB C 13 69.720001 . . 1 . . . . . 53 T CB . 27866 1 151 . 1 1 55 55 THR N N 15 106.699997 . . 1 . . . . . 53 T N . 27866 1 152 . 1 1 56 56 ARG H H 1 8.216000 . . 1 . . . . . 54 R HN . 27866 1 153 . 1 1 56 56 ARG CA C 13 59.139999 . . 1 . . . . . 54 R CA . 27866 1 154 . 1 1 56 56 ARG CB C 13 30.049999 . . 1 . . . . . 54 R CB . 27866 1 155 . 1 1 56 56 ARG N N 15 123.099998 . . 1 . . . . . 54 R N . 27866 1 156 . 1 1 57 57 ASN H H 1 8.672000 . . 1 . . . . . 55 N HN . 27866 1 157 . 1 1 57 57 ASN CA C 13 52.099998 . . 1 . . . . . 55 N CA . 27866 1 158 . 1 1 57 57 ASN CB C 13 38.580002 . . 1 . . . . . 55 N CB . 27866 1 159 . 1 1 57 57 ASN N N 15 116.800003 . . 1 . . . . . 55 N N . 27866 1 160 . 1 1 58 58 MET H H 1 7.121000 . . 1 . . . . . 56 M HN . 27866 1 161 . 1 1 58 58 MET CA C 13 56.080002 . . 1 . . . . . 56 M CA . 27866 1 162 . 1 1 58 58 MET CB C 13 35.080002 . . 1 . . . . . 56 M CB . 27866 1 163 . 1 1 58 58 MET N N 15 119.500000 . . 1 . . . . . 56 M N . 27866 1 164 . 1 1 59 59 TYR H H 1 9.134000 . . 1 . . . . . 57 Y HN . 27866 1 165 . 1 1 59 59 TYR CA C 13 57.070000 . . 1 . . . . . 57 Y CA . 27866 1 166 . 1 1 59 59 TYR CB C 13 43.810001 . . 1 . . . . . 57 Y CB . 27866 1 167 . 1 1 59 59 TYR N N 15 126.300003 . . 1 . . . . . 57 Y N . 27866 1 168 . 1 1 60 60 LEU H H 1 8.631000 . . 1 . . . . . 58 L HN . 27866 1 169 . 1 1 60 60 LEU CA C 13 52.650002 . . 1 . . . . . 58 L CA . 27866 1 170 . 1 1 60 60 LEU CB C 13 43.720001 . . 1 . . . . . 58 L CB . 27866 1 171 . 1 1 60 60 LEU N N 15 117.900002 . . 1 . . . . . 58 L N . 27866 1 172 . 1 1 61 61 PHE H H 1 9.440000 . . 1 . . . . . 59 F HN . 27866 1 173 . 1 1 61 61 PHE CA C 13 56.310001 . . 1 . . . . . 59 F CA . 27866 1 174 . 1 1 61 61 PHE CB C 13 43.099998 . . 1 . . . . . 59 F CB . 27866 1 175 . 1 1 61 61 PHE N N 15 120.099998 . . 1 . . . . . 59 F N . 27866 1 176 . 1 1 66 66 ASN CA C 13 52.950001 . . 1 . . . . . 64 N CA . 27866 1 177 . 1 1 66 66 ASN CB C 13 38.169998 . . 1 . . . . . 64 N CB . 27866 1 178 . 1 1 67 67 SER H H 1 7.831000 . . 1 . . . . . 65 S HN . 27866 1 179 . 1 1 67 67 SER CA C 13 55.570000 . . 1 . . . . . 65 S CA . 27866 1 180 . 1 1 67 67 SER CB C 13 64.750000 . . 1 . . . . . 65 S CB . 27866 1 181 . 1 1 67 67 SER N N 15 115.300003 . . 1 . . . . . 65 S N . 27866 1 182 . 1 1 73 73 PRO CA C 13 62.180000 . . 1 . . . . . 71 P CA . 27866 1 183 . 1 1 74 74 ILE H H 1 8.552000 . . 1 . . . . . 72 I HN . 27866 1 184 . 1 1 74 74 ILE CA C 13 58.860001 . . 1 . . . . . 72 I CA . 27866 1 185 . 1 1 74 74 ILE N N 15 121.599998 . . 1 . . . . . 72 I N . 27866 1 186 . 1 1 79 79 GLN CA C 13 56.020000 . . 1 . . . . . 77 Q CA . 27866 1 187 . 1 1 79 79 GLN CB C 13 30.100000 . . 1 . . . . . 77 Q CB . 27866 1 188 . 1 1 80 80 ILE H H 1 7.592000 . . 1 . . . . . 78 I HN . 27866 1 189 . 1 1 80 80 ILE CA C 13 61.380001 . . 1 . . . . . 78 I CA . 27866 1 190 . 1 1 80 80 ILE CB C 13 37.430000 . . 1 . . . . . 78 I CB . 27866 1 191 . 1 1 80 80 ILE N N 15 119.099998 . . 1 . . . . . 78 I N . 27866 1 192 . 1 1 81 81 THR H H 1 7.533000 . . 1 . . . . . 79 T HN . 27866 1 193 . 1 1 81 81 THR CA C 13 59.570000 . . 1 . . . . . 79 T CA . 27866 1 194 . 1 1 81 81 THR N N 15 117.599998 . . 1 . . . . . 79 T N . 27866 1 195 . 1 1 82 82 SER CA C 13 59.810001 . . 1 . . . . . 80 S CA . 27866 1 196 . 1 1 82 82 SER CB C 13 62.630001 . . 1 . . . . . 80 S CB . 27866 1 197 . 1 1 83 83 GLY H H 1 9.064000 . . 1 . . . . . 81 G HN . 27866 1 198 . 1 1 83 83 GLY CA C 13 44.709999 . . 1 . . . . . 81 G CA . 27866 1 199 . 1 1 83 83 GLY N N 15 115.300003 . . 1 . . . . . 81 G N . 27866 1 200 . 1 1 84 84 SER H H 1 7.691000 . . 1 . . . . . 82 S HN . 27866 1 201 . 1 1 84 84 SER CA C 13 60.439999 . . 1 . . . . . 82 S CA . 27866 1 202 . 1 1 84 84 SER CB C 13 65.209999 . . 1 . . . . . 82 S CB . 27866 1 203 . 1 1 84 84 SER N N 15 115.199997 . . 1 . . . . . 82 S N . 27866 1 204 . 1 1 85 85 ILE H H 1 8.343000 . . 1 . . . . . 83 I HN . 27866 1 205 . 1 1 85 85 ILE CA C 13 60.349998 . . 1 . . . . . 83 I CA . 27866 1 206 . 1 1 85 85 ILE N N 15 122.300003 . . 1 . . . . . 83 I N . 27866 1 207 . 1 1 86 86 LEU H H 1 9.232000 . . 1 . . . . . 84 L HN . 27866 1 208 . 1 1 86 86 LEU CA C 13 52.310001 . . 1 . . . . . 84 L CA . 27866 1 209 . 1 1 86 86 LEU N N 15 127.000000 . . 1 . . . . . 84 L N . 27866 1 210 . 1 1 87 87 GLU CA C 13 54.779999 . . 1 . . . . . 85 E CA . 27866 1 211 . 1 1 88 88 ILE H H 1 9.158000 . . 1 . . . . . 86 I HN . 27866 1 212 . 1 1 88 88 ILE CA C 13 62.040001 . . 1 . . . . . 86 I CA . 27866 1 213 . 1 1 88 88 ILE N N 15 126.000000 . . 1 . . . . . 86 I N . 27866 1 214 . 1 1 89 89 ILE H H 1 8.787000 . . 1 . . . . . 87 I HN . 27866 1 215 . 1 1 89 89 ILE CA C 13 58.930000 . . 1 . . . . . 87 I CA . 27866 1 216 . 1 1 89 89 ILE CB C 13 40.700001 . . 1 . . . . . 87 I CB . 27866 1 217 . 1 1 89 89 ILE N N 15 127.500000 . . 1 . . . . . 87 I N . 27866 1 218 . 1 1 90 90 LEU H H 1 8.844000 . . 1 . . . . . 88 L HN . 27866 1 219 . 1 1 90 90 LEU CA C 13 53.830002 . . 1 . . . . . 88 L CA . 27866 1 220 . 1 1 90 90 LEU CB C 13 40.570000 . . 1 . . . . . 88 L CB . 27866 1 221 . 1 1 90 90 LEU N N 15 128.399994 . . 1 . . . . . 88 L N . 27866 1 222 . 1 1 91 91 VAL H H 1 8.270000 . . 1 . . . . . 89 V HN . 27866 1 223 . 1 1 91 91 VAL CA C 13 62.060001 . . 1 . . . . . 89 V CA . 27866 1 224 . 1 1 91 91 VAL N N 15 124.199997 . . 1 . . . . . 89 V N . 27866 1 225 . 1 1 92 92 ASP CA C 13 54.419998 . . 1 . . . . . 90 D CA . 27866 1 226 . 1 1 92 92 ASP CB C 13 42.090000 . . 1 . . . . . 90 D CB . 27866 1 227 . 1 1 93 93 ARG H H 1 8.155000 . . 1 . . . . . 91 R HN . 27866 1 228 . 1 1 93 93 ARG CA C 13 55.630001 . . 1 . . . . . 91 R CA . 27866 1 229 . 1 1 93 93 ARG CB C 13 30.770000 . . 1 . . . . . 91 R CB . 27866 1 230 . 1 1 93 93 ARG N N 15 121.900002 . . 1 . . . . . 91 R N . 27866 1 231 . 1 1 94 94 THR H H 1 8.156000 . . 1 . . . . . 92 T HN . 27866 1 232 . 1 1 94 94 THR CA C 13 62.450001 . . 1 . . . . . 92 T CA . 27866 1 233 . 1 1 94 94 THR N N 15 116.500000 . . 1 . . . . . 92 T N . 27866 1 234 . 1 1 95 95 GLU H H 1 8.411000 . . 1 . . . . . 93 E HN . 27866 1 235 . 1 1 95 95 GLU HA H 1 4.297000 . . 1 . . . . . 93 E HA . 27866 1 236 . 1 1 95 95 GLU CA C 13 56.369999 . . 1 . . . . . 93 E CA . 27866 1 237 . 1 1 95 95 GLU CB C 13 30.340000 . . 1 . . . . . 93 E CB . 27866 1 238 . 1 1 95 95 GLU N N 15 123.800003 . . 1 . . . . . 93 E N . 27866 1 239 . 1 1 96 96 ALA H H 1 7.972000 . . 1 . . . . . 94 A HN . 27866 1 240 . 1 1 96 96 ALA HA H 1 4.085000 . . 1 . . . . . 94 A HA . 27866 1 241 . 1 1 96 96 ALA CA C 13 53.900002 . . 1 . . . . . 94 A CA . 27866 1 242 . 1 1 96 96 ALA CB C 13 20.000000 . . 1 . . . . . 94 A CB . 27866 1 243 . 1 1 96 96 ALA N N 15 130.699997 . . 1 . . . . . 94 A N . 27866 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_assigned_chem_shift_list_2 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_2 _Assigned_chem_shift_list.Entry_ID 27866 _Assigned_chem_shift_list.ID 2 _Assigned_chem_shift_list.Name . _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 5 '2D 1H-15N HSQC' . . . 27866 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.Ambiguity_set_ID _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 12 12 TYR H H 1 8.174000 . . 1 . . . . . 10 Y HN . 27866 2 2 . 1 1 12 12 TYR N N 15 121.300003 . . 1 . . . . . 10 Y N . 27866 2 3 . 1 1 13 13 GLY H H 1 8.334000 . . 1 . . . . . 11 G HN . 27866 2 4 . 1 1 13 13 GLY N N 15 109.000000 . . 1 . . . . . 11 G N . 27866 2 5 . 1 1 14 14 ASP H H 1 8.524000 . . 1 . . . . . 12 D HN . 27866 2 6 . 1 1 14 14 ASP N N 15 124.300003 . . 1 . . . . . 12 D N . 27866 2 7 . 1 1 15 15 HIS H H 1 8.333000 . . 1 . . . . . 13 H HN . 27866 2 8 . 1 1 15 15 HIS N N 15 121.099998 . . 1 . . . . . 13 H N . 27866 2 9 . 1 1 16 16 VAL H H 1 8.850000 . . 1 . . . . . 14 V HN . 27866 2 10 . 1 1 16 16 VAL N N 15 113.099998 . . 1 . . . . . 14 V N . 27866 2 11 . 1 1 17 17 VAL H H 1 8.624000 . . 1 . . . . . 15 V HN . 27866 2 12 . 1 1 17 17 VAL N N 15 122.800003 . . 1 . . . . . 15 V N . 27866 2 13 . 1 1 18 18 LEU H H 1 8.977000 . . 1 . . . . . 16 L HN . 27866 2 14 . 1 1 18 18 LEU N N 15 126.500000 . . 1 . . . . . 16 L N . 27866 2 15 . 1 1 19 19 ARG H H 1 8.893000 . . 1 . . . . . 17 R HN . 27866 2 16 . 1 1 19 19 ARG N N 15 121.800003 . . 1 . . . . . 17 R N . 27866 2 17 . 1 1 23 23 THR H H 1 7.708000 . . 1 . . . . . 21 T HN . 27866 2 18 . 1 1 23 23 THR N N 15 119.500000 . . 1 . . . . . 21 T N . 27866 2 19 . 1 1 24 24 ARG H H 1 8.679000 . . 1 . . . . . 22 R HN . 27866 2 20 . 1 1 24 24 ARG N N 15 125.599998 . . 1 . . . . . 22 R N . 27866 2 21 . 1 1 25 25 GLU H H 1 9.051000 . . 1 . . . . . 23 E HN . 27866 2 22 . 1 1 25 25 GLU N N 15 122.900002 . . 1 . . . . . 23 E N . 27866 2 23 . 1 1 26 26 MET H H 1 8.810000 . . 1 . . . . . 24 M HN . 27866 2 24 . 1 1 26 26 MET N N 15 125.599998 . . 1 . . . . . 24 M N . 27866 2 25 . 1 1 27 27 VAL H H 1 9.284000 . . 1 . . . . . 25 V HN . 27866 2 26 . 1 1 27 27 VAL N N 15 126.699997 . . 1 . . . . . 25 V N . 27866 2 27 . 1 1 29 29 LEU H H 1 7.977000 . . 1 . . . . . 27 L HN . 27866 2 28 . 1 1 29 29 LEU N N 15 123.500000 . . 1 . . . . . 27 L N . 27866 2 29 . 1 1 30 30 ILE H H 1 7.971000 . . 1 . . . . . 28 I HN . 27866 2 30 . 1 1 30 30 ILE N N 15 125.099998 . . 1 . . . . . 28 I N . 27866 2 31 . 1 1 35 35 MET H H 1 7.649000 . . 1 . . . . . 33 M HN . 27866 2 32 . 1 1 35 35 MET N N 15 120.099998 . . 1 . . . . . 33 M N . 27866 2 33 . 1 1 36 36 LEU H H 1 8.634000 . . 1 . . . . . 34 L HN . 27866 2 34 . 1 1 36 36 LEU N N 15 119.300003 . . 1 . . . . . 34 L N . 27866 2 35 . 1 1 37 37 ASP H H 1 7.863000 . . 1 . . . . . 35 D HN . 27866 2 36 . 1 1 37 37 ASP N N 15 119.300003 . . 1 . . . . . 35 D N . 27866 2 37 . 1 1 38 38 MET H H 1 8.135000 . . 1 . . . . . 36 M HN . 27866 2 38 . 1 1 38 38 MET N N 15 119.500000 . . 1 . . . . . 36 M N . 27866 2 39 . 1 1 39 39 LEU H H 1 8.220000 . . 1 . . . . . 37 L HN . 27866 2 40 . 1 1 39 39 LEU N N 15 121.800003 . . 1 . . . . . 37 L N . 27866 2 41 . 1 1 40 40 MET H H 1 8.561000 . . 1 . . . . . 38 M HN . 27866 2 42 . 1 1 40 40 MET N N 15 117.599998 . . 1 . . . . . 38 M N . 27866 2 43 . 1 1 41 41 GLU H H 1 7.940000 . . 1 . . . . . 39 E HN . 27866 2 44 . 1 1 41 41 GLU N N 15 120.000000 . . 1 . . . . . 39 E N . 27866 2 45 . 1 1 42 42 ARG H H 1 7.863000 . . 1 . . . . . 40 R HN . 27866 2 46 . 1 1 42 42 ARG N N 15 119.300003 . . 1 . . . . . 40 R N . 27866 2 47 . 1 1 43 43 ALA H H 1 8.593000 . . 1 . . . . . 41 A HN . 27866 2 48 . 1 1 43 43 ALA N N 15 121.800003 . . 1 . . . . . 41 A N . 27866 2 49 . 1 1 44 44 ARG H H 1 8.297000 . . 1 . . . . . 42 R HN . 27866 2 50 . 1 1 44 44 ARG N N 15 117.500000 . . 1 . . . . . 42 R N . 27866 2 51 . 1 1 45 45 GLN H H 1 7.702000 . . 1 . . . . . 43 Q HN . 27866 2 52 . 1 1 45 45 GLN N N 15 117.400002 . . 1 . . . . . 43 Q N . 27866 2 53 . 1 1 46 46 ILE H H 1 7.920000 . . 1 . . . . . 44 I HN . 27866 2 54 . 1 1 46 46 ILE N N 15 121.400002 . . 1 . . . . . 44 I N . 27866 2 55 . 1 1 47 47 VAL H H 1 7.848000 . . 1 . . . . . 45 V HN . 27866 2 56 . 1 1 47 47 VAL N N 15 118.400002 . . 1 . . . . . 45 V N . 27866 2 57 . 1 1 48 48 GLN H H 1 8.477000 . . 1 . . . . . 46 Q HN . 27866 2 58 . 1 1 48 48 GLN N N 15 118.699997 . . 1 . . . . . 46 Q N . 27866 2 59 . 1 1 49 49 GLY H H 1 7.895000 . . 1 . . . . . 47 G HN . 27866 2 60 . 1 1 49 49 GLY N N 15 107.500000 . . 1 . . . . . 47 G N . 27866 2 61 . 1 1 50 50 PHE H H 1 7.848000 . . 1 . . . . . 48 F HN . 27866 2 62 . 1 1 50 50 PHE N N 15 118.400002 . . 1 . . . . . 48 F N . 27866 2 63 . 1 1 51 51 GLY H H 1 7.895000 . . 1 . . . . . 49 G HN . 27866 2 64 . 1 1 51 51 GLY N N 15 107.500000 . . 1 . . . . . 49 G N . 27866 2 65 . 1 1 55 55 THR H H 1 7.652000 . . 1 . . . . . 53 T HN . 27866 2 66 . 1 1 55 55 THR N N 15 107.000000 . . 1 . . . . . 53 T N . 27866 2 67 . 1 1 56 56 ARG H H 1 8.193000 . . 1 . . . . . 54 R HN . 27866 2 68 . 1 1 56 56 ARG N N 15 123.199997 . . 1 . . . . . 54 R N . 27866 2 69 . 1 1 57 57 ASN H H 1 8.670000 . . 1 . . . . . 55 N HN . 27866 2 70 . 1 1 57 57 ASN N N 15 116.900002 . . 1 . . . . . 55 N N . 27866 2 71 . 1 1 58 58 MET H H 1 7.163000 . . 1 . . . . . 56 M HN . 27866 2 72 . 1 1 58 58 MET N N 15 119.599998 . . 1 . . . . . 56 M N . 27866 2 73 . 1 1 59 59 TYR H H 1 9.160000 . . 1 . . . . . 57 Y HN . 27866 2 74 . 1 1 59 59 TYR N N 15 126.400002 . . 1 . . . . . 57 Y N . 27866 2 75 . 1 1 60 60 LEU H H 1 8.663000 . . 1 . . . . . 58 L HN . 27866 2 76 . 1 1 60 60 LEU N N 15 117.900002 . . 1 . . . . . 58 L N . 27866 2 77 . 1 1 61 61 PHE H H 1 9.436000 . . 1 . . . . . 59 F HN . 27866 2 78 . 1 1 61 61 PHE N N 15 120.099998 . . 1 . . . . . 59 F N . 27866 2 79 . 1 1 67 67 SER H H 1 7.836000 . . 1 . . . . . 65 S HN . 27866 2 80 . 1 1 67 67 SER N N 15 115.199997 . . 1 . . . . . 65 S N . 27866 2 81 . 1 1 74 74 ILE H H 1 8.528000 . . 1 . . . . . 72 I HN . 27866 2 82 . 1 1 74 74 ILE N N 15 121.099998 . . 1 . . . . . 72 I N . 27866 2 83 . 1 1 80 80 ILE H H 1 7.593000 . . 1 . . . . . 78 I HN . 27866 2 84 . 1 1 80 80 ILE N N 15 119.199997 . . 1 . . . . . 78 I N . 27866 2 85 . 1 1 81 81 THR H H 1 7.474000 . . 1 . . . . . 79 T HN . 27866 2 86 . 1 1 81 81 THR N N 15 117.500000 . . 1 . . . . . 79 T N . 27866 2 87 . 1 1 83 83 GLY H H 1 9.074000 . . 1 . . . . . 81 G HN . 27866 2 88 . 1 1 83 83 GLY N N 15 115.300003 . . 1 . . . . . 81 G N . 27866 2 89 . 1 1 84 84 SER H H 1 7.700000 . . 1 . . . . . 82 S HN . 27866 2 90 . 1 1 84 84 SER N N 15 115.300003 . . 1 . . . . . 82 S N . 27866 2 91 . 1 1 86 86 LEU H H 1 9.229000 . . 1 . . . . . 84 L HN . 27866 2 92 . 1 1 86 86 LEU N N 15 126.900002 . . 1 . . . . . 84 L N . 27866 2 93 . 1 1 88 88 ILE H H 1 9.166000 . . 1 . . . . . 86 I HN . 27866 2 94 . 1 1 88 88 ILE N N 15 125.099998 . . 1 . . . . . 86 I N . 27866 2 95 . 1 1 89 89 ILE H H 1 8.793000 . . 1 . . . . . 87 I HN . 27866 2 96 . 1 1 89 89 ILE N N 15 127.699997 . . 1 . . . . . 87 I N . 27866 2 97 . 1 1 90 90 LEU H H 1 8.859000 . . 1 . . . . . 88 L HN . 27866 2 98 . 1 1 90 90 LEU N N 15 128.600006 . . 1 . . . . . 88 L N . 27866 2 99 . 1 1 91 91 VAL H H 1 8.304000 . . 1 . . . . . 89 V HN . 27866 2 100 . 1 1 91 91 VAL N N 15 123.900002 . . 1 . . . . . 89 V N . 27866 2 101 . 1 1 93 93 ARG H H 1 8.143000 . . 1 . . . . . 91 R HN . 27866 2 102 . 1 1 93 93 ARG N N 15 121.800003 . . 1 . . . . . 91 R N . 27866 2 stop_ save_