################################### # 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 27493 _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' . . . 27493 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 5 5 VAL H H 1 8.641 . . . . . . . . 84 V H . 27493 1 2 . 1 1 5 5 VAL N N 15 123.376 . . . . . . . . 84 V N . 27493 1 3 . 1 1 6 6 GLY H H 1 9.264 . . . . . . . . 85 G H . 27493 1 4 . 1 1 6 6 GLY N N 15 116.933 . . . . . . . . 85 G N . 27493 1 5 . 1 1 7 7 SER H H 1 8.161 . . . . . . . . 86 S H . 27493 1 6 . 1 1 7 7 SER N N 15 117.371 . . . . . . . . 86 S N . 27493 1 7 . 1 1 8 8 GLN H H 1 8.647 . . . . . . . . 87 Q H . 27493 1 8 . 1 1 8 8 GLN HE21 H 1 7.612 . . . . . . . . 87 Q HE21 . 27493 1 9 . 1 1 8 8 GLN HE22 H 1 6.823 . . . . . . . . 87 Q HE22 . 27493 1 10 . 1 1 8 8 GLN N N 15 122.019 . . . . . . . . 87 Q N . 27493 1 11 . 1 1 8 8 GLN NE2 N 15 112.722 . . . . . . . . 87 Q NE2 . 27493 1 12 . 1 1 9 9 VAL H H 1 8.952 . . . . . . . . 88 V H . 27493 1 13 . 1 1 9 9 VAL N N 15 116.895 . . . . . . . . 88 V N . 27493 1 14 . 1 1 10 10 ILE H H 1 8.879 . . . . . . . . 89 I H . 27493 1 15 . 1 1 10 10 ILE N N 15 120.536 . . . . . . . . 89 I N . 27493 1 16 . 1 1 11 11 ILE H H 1 8.549 . . . . . . . . 90 I H . 27493 1 17 . 1 1 11 11 ILE N N 15 125.302 . . . . . . . . 90 I N . 27493 1 18 . 1 1 12 12 ASN H H 1 9.023 . . . . . . . . 91 N H . 27493 1 19 . 1 1 12 12 ASN HD21 H 1 7.272 . . . . . . . . 91 N HD21 . 27493 1 20 . 1 1 12 12 ASN HD22 H 1 6.821 . . . . . . . . 91 N HD22 . 27493 1 21 . 1 1 12 12 ASN N N 15 126.302 . . . . . . . . 91 N N . 27493 1 22 . 1 1 12 12 ASN ND2 N 15 112.224 . . . . . . . . 91 N ND2 . 27493 1 23 . 1 1 13 13 THR H H 1 6.999 . . . . . . . . 92 T H . 27493 1 24 . 1 1 13 13 THR N N 15 113.124 . . . . . . . . 92 T N . 27493 1 25 . 1 1 14 14 SER H H 1 7.847 . . . . . . . . 93 S H . 27493 1 26 . 1 1 14 14 SER N N 15 113.900 . . . . . . . . 93 S N . 27493 1 27 . 1 1 16 16 MET H H 1 7.480 . . . . . . . . 95 M H . 27493 1 28 . 1 1 16 16 MET N N 15 114.970 . . . . . . . . 95 M N . 27493 1 29 . 1 1 19 19 MET H H 1 7.375 . . . . . . . . 98 M H . 27493 1 30 . 1 1 19 19 MET N N 15 116.407 . . . . . . . . 98 M N . 27493 1 31 . 1 1 20 20 LYS H H 1 7.960 . . . . . . . . 99 K H . 27493 1 32 . 1 1 20 20 LYS N N 15 119.575 . . . . . . . . 99 K N . 27493 1 33 . 1 1 21 21 GLY H H 1 9.247 . . . . . . . . 100 G H . 27493 1 34 . 1 1 21 21 GLY N N 15 118.056 . . . . . . . . 100 G N . 27493 1 35 . 1 1 22 22 ALA H H 1 8.126 . . . . . . . . 101 A H . 27493 1 36 . 1 1 22 22 ALA N N 15 123.728 . . . . . . . . 101 A N . 27493 1 37 . 1 1 23 23 GLU H H 1 8.582 . . . . . . . . 102 E H . 27493 1 38 . 1 1 23 23 GLU N N 15 120.251 . . . . . . . . 102 E N . 27493 1 39 . 1 1 24 24 ALA H H 1 9.186 . . . . . . . . 103 A H . 27493 1 40 . 1 1 24 24 ALA N N 15 127.931 . . . . . . . . 103 A N . 27493 1 41 . 1 1 25 25 THR H H 1 8.941 . . . . . . . . 104 T H . 27493 1 42 . 1 1 25 25 THR N N 15 115.567 . . . . . . . . 104 T N . 27493 1 43 . 1 1 26 26 VAL H H 1 8.643 . . . . . . . . 105 V H . 27493 1 44 . 1 1 26 26 VAL N N 15 125.464 . . . . . . . . 105 V N . 27493 1 45 . 1 1 27 27 THR H H 1 9.640 . . . . . . . . 106 T H . 27493 1 46 . 1 1 27 27 THR N N 15 121.518 . . . . . . . . 106 T N . 27493 1 47 . 1 1 28 28 GLY H H 1 7.961 . . . . . . . . 107 G H . 27493 1 48 . 1 1 28 28 GLY N N 15 110.425 . . . . . . . . 107 G N . 27493 1 49 . 1 1 29 29 ALA H H 1 8.022 . . . . . . . . 108 A H . 27493 1 50 . 1 1 29 29 ALA N N 15 125.309 . . . . . . . . 108 A N . 27493 1 51 . 1 1 30 30 TYR H H 1 8.879 . . . . . . . . 109 Y H . 27493 1 52 . 1 1 30 30 TYR N N 15 120.536 . . . . . . . . 109 Y N . 27493 1 53 . 1 1 31 31 ASP H H 1 8.660 . . . . . . . . 110 D H . 27493 1 54 . 1 1 31 31 ASP N N 15 125.856 . . . . . . . . 110 D N . 27493 1 55 . 1 1 32 32 THR H H 1 7.987 . . . . . . . . 111 T H . 27493 1 56 . 1 1 32 32 THR N N 15 121.401 . . . . . . . . 111 T N . 27493 1 57 . 1 1 33 33 THR H H 1 8.608 . . . . . . . . 112 T H . 27493 1 58 . 1 1 33 33 THR N N 15 118.564 . . . . . . . . 112 T N . 27493 1 59 . 1 1 34 34 ALA H H 1 8.852 . . . . . . . . 113 A H . 27493 1 60 . 1 1 34 34 ALA N N 15 129.515 . . . . . . . . 113 A N . 27493 1 61 . 1 1 35 35 TYR H H 1 9.695 . . . . . . . . 114 Y H . 27493 1 62 . 1 1 35 35 TYR N N 15 119.484 . . . . . . . . 114 Y N . 27493 1 63 . 1 1 36 36 VAL H H 1 8.196 . . . . . . . . 115 V H . 27493 1 64 . 1 1 36 36 VAL N N 15 124.160 . . . . . . . . 115 V N . 27493 1 65 . 1 1 37 37 VAL H H 1 8.547 . . . . . . . . 116 V H . 27493 1 66 . 1 1 37 37 VAL N N 15 117.880 . . . . . . . . 116 V N . 27493 1 67 . 1 1 38 38 SER H H 1 8.577 . . . . . . . . 117 S H . 27493 1 68 . 1 1 38 38 SER N N 15 117.611 . . . . . . . . 117 S N . 27493 1 69 . 1 1 39 39 TYR H H 1 8.980 . . . . . . . . 118 Y H . 27493 1 70 . 1 1 39 39 TYR N N 15 120.310 . . . . . . . . 118 Y N . 27493 1 71 . 1 1 40 40 THR H H 1 8.436 . . . . . . . . 119 T H . 27493 1 72 . 1 1 40 40 THR N N 15 120.270 . . . . . . . . 119 T N . 27493 1 73 . 1 1 42 42 THR H H 1 9.713 . . . . . . . . 121 T H . 27493 1 74 . 1 1 42 42 THR N N 15 114.039 . . . . . . . . 121 T N . 27493 1 75 . 1 1 43 43 ASN H H 1 7.866 . . . . . . . . 122 N H . 27493 1 76 . 1 1 43 43 ASN HD21 H 1 6.667 . . . . . . . . 122 N HD21 . 27493 1 77 . 1 1 43 43 ASN HD22 H 1 7.629 . . . . . . . . 122 N HD22 . 27493 1 78 . 1 1 43 43 ASN N N 15 115.955 . . . . . . . . 122 N N . 27493 1 79 . 1 1 43 43 ASN ND2 N 15 111.018 . . . . . . . . 122 N ND2 . 27493 1 80 . 1 1 44 44 GLY H H 1 7.788 . . . . . . . . 123 G H . 27493 1 81 . 1 1 44 44 GLY N N 15 108.090 . . . . . . . . 123 G N . 27493 1 82 . 1 1 45 45 GLY H H 1 7.537 . . . . . . . . 124 G H . 27493 1 83 . 1 1 45 45 GLY N N 15 105.104 . . . . . . . . 124 G N . 27493 1 84 . 1 1 46 46 GLN H H 1 8.037 . . . . . . . . 125 Q H . 27493 1 85 . 1 1 46 46 GLN HE21 H 1 6.856 . . . . . . . . 125 Q HE21 . 27493 1 86 . 1 1 46 46 GLN HE22 H 1 7.612 . . . . . . . . 125 Q HE22 . 27493 1 87 . 1 1 46 46 GLN N N 15 118.300 . . . . . . . . 125 Q N . 27493 1 88 . 1 1 46 46 GLN NE2 N 15 112.684 . . . . . . . . 125 Q NE2 . 27493 1 89 . 1 1 47 47 ARG H H 1 8.238 . . . . . . . . 126 R H . 27493 1 90 . 1 1 47 47 ARG N N 15 122.199 . . . . . . . . 126 R N . 27493 1 91 . 1 1 48 48 VAL H H 1 8.611 . . . . . . . . 127 V H . 27493 1 92 . 1 1 48 48 VAL N N 15 129.788 . . . . . . . . 127 V N . 27493 1 93 . 1 1 49 49 ASP H H 1 8.238 . . . . . . . . 128 D H . 27493 1 94 . 1 1 49 49 ASP N N 15 125.708 . . . . . . . . 128 D N . 27493 1 95 . 1 1 50 50 HIS H H 1 9.361 . . . . . . . . 129 H H . 27493 1 96 . 1 1 50 50 HIS N N 15 122.422 . . . . . . . . 129 H N . 27493 1 97 . 1 1 51 51 HIS H H 1 9.540 . . . . . . . . 130 H H . 27493 1 98 . 1 1 51 51 HIS N N 15 120.234 . . . . . . . . 130 H N . 27493 1 99 . 1 1 52 52 LYS H H 1 6.867 . . . . . . . . 131 K H . 27493 1 100 . 1 1 52 52 LYS N N 15 128.300 . . . . . . . . 131 K N . 27493 1 101 . 1 1 53 53 TRP H H 1 7.111 . . . . . . . . 132 W H . 27493 1 102 . 1 1 53 53 TRP N N 15 119.296 . . . . . . . . 132 W N . 27493 1 103 . 1 1 54 54 VAL H H 1 9.043 . . . . . . . . 133 V H . 27493 1 104 . 1 1 54 54 VAL N N 15 115.648 . . . . . . . . 133 V N . 27493 1 105 . 1 1 55 55 ILE H H 1 8.681 . . . . . . . . 134 I H . 27493 1 106 . 1 1 55 55 ILE N N 15 116.293 . . . . . . . . 134 I N . 27493 1 107 . 1 1 56 56 GLN H H 1 7.941 . . . . . . . . 135 Q H . 27493 1 108 . 1 1 56 56 GLN HE21 H 1 6.979 . . . . . . . . 135 Q HE21 . 27493 1 109 . 1 1 56 56 GLN HE22 H 1 7.523 . . . . . . . . 135 Q HE22 . 27493 1 110 . 1 1 56 56 GLN N N 15 122.076 . . . . . . . . 135 Q N . 27493 1 111 . 1 1 56 56 GLN NE2 N 15 111.276 . . . . . . . . 135 Q NE2 . 27493 1 112 . 1 1 57 57 GLU H H 1 9.160 . . . . . . . . 136 E H . 27493 1 113 . 1 1 57 57 GLU N N 15 113.662 . . . . . . . . 136 E N . 27493 1 114 . 1 1 58 58 GLU H H 1 8.356 . . . . . . . . 137 E H . 27493 1 115 . 1 1 58 58 GLU N N 15 117.902 . . . . . . . . 137 E N . 27493 1 116 . 1 1 59 59 ILE H H 1 7.505 . . . . . . . . 138 I H . 27493 1 117 . 1 1 59 59 ILE N N 15 122.006 . . . . . . . . 138 I N . 27493 1 118 . 1 1 60 60 LYS H H 1 8.611 . . . . . . . . 139 K H . 27493 1 119 . 1 1 60 60 LYS N N 15 129.788 . . . . . . . . 139 K N . 27493 1 120 . 1 1 61 61 ASP H H 1 9.187 . . . . . . . . 140 D H . 27493 1 121 . 1 1 61 61 ASP N N 15 121.961 . . . . . . . . 140 D N . 27493 1 122 . 1 1 62 62 ALA H H 1 7.446 . . . . . . . . 141 A H . 27493 1 123 . 1 1 62 62 ALA N N 15 121.090 . . . . . . . . 141 A N . 27493 1 124 . 1 1 63 63 GLY H H 1 8.423 . . . . . . . . 142 G H . 27493 1 125 . 1 1 63 63 GLY N N 15 104.663 . . . . . . . . 142 G N . 27493 1 126 . 1 1 64 64 ASP H H 1 8.583 . . . . . . . . 143 D H . 27493 1 127 . 1 1 64 64 ASP N N 15 124.873 . . . . . . . . 143 D N . 27493 1 128 . 1 1 65 65 LYS H H 1 7.832 . . . . . . . . 144 K H . 27493 1 129 . 1 1 65 65 LYS N N 15 120.632 . . . . . . . . 144 K N . 27493 1 130 . 1 1 66 66 THR H H 1 8.562 . . . . . . . . 145 T H . 27493 1 131 . 1 1 66 66 THR N N 15 120.121 . . . . . . . . 145 T N . 27493 1 132 . 1 1 67 67 LEU H H 1 8.331 . . . . . . . . 146 L H . 27493 1 133 . 1 1 67 67 LEU N N 15 130.800 . . . . . . . . 146 L N . 27493 1 134 . 1 1 68 68 GLN H H 1 8.764 . . . . . . . . 147 Q H . 27493 1 135 . 1 1 68 68 GLN HE21 H 1 7.446 . . . . . . . . 147 Q HE21 . 27493 1 136 . 1 1 68 68 GLN HE22 H 1 6.861 . . . . . . . . 147 Q HE22 . 27493 1 137 . 1 1 68 68 GLN N N 15 118.937 . . . . . . . . 147 Q N . 27493 1 138 . 1 1 68 68 GLN NE2 N 15 113.257 . . . . . . . . 147 Q NE2 . 27493 1 139 . 1 1 70 70 GLY H H 1 9.548 . . . . . . . . 149 G H . 27493 1 140 . 1 1 70 70 GLY N N 15 115.212 . . . . . . . . 149 G N . 27493 1 141 . 1 1 71 71 ASP H H 1 8.396 . . . . . . . . 150 D H . 27493 1 142 . 1 1 71 71 ASP N N 15 123.355 . . . . . . . . 150 D N . 27493 1 143 . 1 1 72 72 GLN H H 1 8.359 . . . . . . . . 151 Q H . 27493 1 144 . 1 1 72 72 GLN HE21 H 1 7.536 . . . . . . . . 151 Q HE21 . 27493 1 145 . 1 1 72 72 GLN HE22 H 1 6.869 . . . . . . . . 151 Q HE22 . 27493 1 146 . 1 1 72 72 GLN N N 15 119.986 . . . . . . . . 151 Q N . 27493 1 147 . 1 1 72 72 GLN NE2 N 15 112.614 . . . . . . . . 151 Q NE2 . 27493 1 148 . 1 1 73 73 VAL H H 1 9.138 . . . . . . . . 152 V H . 27493 1 149 . 1 1 73 73 VAL N N 15 117.730 . . . . . . . . 152 V N . 27493 1 150 . 1 1 74 74 ILE H H 1 8.810 . . . . . . . . 153 I H . 27493 1 151 . 1 1 74 74 ILE N N 15 121.168 . . . . . . . . 153 I N . 27493 1 152 . 1 1 75 75 LEU H H 1 8.438 . . . . . . . . 154 L H . 27493 1 153 . 1 1 75 75 LEU N N 15 123.494 . . . . . . . . 154 L N . 27493 1 154 . 1 1 76 76 GLU H H 1 8.986 . . . . . . . . 155 E H . 27493 1 155 . 1 1 76 76 GLU N N 15 121.459 . . . . . . . . 155 E N . 27493 1 156 . 1 1 77 77 ALA H H 1 6.353 . . . . . . . . 156 A H . 27493 1 157 . 1 1 77 77 ALA N N 15 121.034 . . . . . . . . 156 A N . 27493 1 158 . 1 1 78 78 SER H H 1 8.081 . . . . . . . . 157 S H . 27493 1 159 . 1 1 78 78 SER N N 15 109.973 . . . . . . . . 157 S N . 27493 1 160 . 1 1 79 79 HIS H H 1 7.138 . . . . . . . . 158 H H . 27493 1 161 . 1 1 79 79 HIS N N 15 119.930 . . . . . . . . 158 H N . 27493 1 162 . 1 1 80 80 MET H H 1 7.008 . . . . . . . . 159 M H . 27493 1 163 . 1 1 80 80 MET N N 15 111.004 . . . . . . . . 159 M N . 27493 1 164 . 1 1 83 83 MET H H 1 7.437 . . . . . . . . 162 M H . 27493 1 165 . 1 1 83 83 MET N N 15 119.078 . . . . . . . . 162 M N . 27493 1 166 . 1 1 84 84 LYS H H 1 8.141 . . . . . . . . 163 K H . 27493 1 167 . 1 1 84 84 LYS N N 15 119.449 . . . . . . . . 163 K N . 27493 1 168 . 1 1 85 85 GLY H H 1 9.017 . . . . . . . . 164 G H . 27493 1 169 . 1 1 85 85 GLY N N 15 116.599 . . . . . . . . 164 G N . 27493 1 170 . 1 1 86 86 ALA H H 1 8.234 . . . . . . . . 165 A H . 27493 1 171 . 1 1 86 86 ALA N N 15 124.331 . . . . . . . . 165 A N . 27493 1 172 . 1 1 87 87 THR H H 1 8.516 . . . . . . . . 166 T H . 27493 1 173 . 1 1 87 87 THR N N 15 116.554 . . . . . . . . 166 T N . 27493 1 174 . 1 1 88 88 ALA H H 1 9.617 . . . . . . . . 167 A H . 27493 1 175 . 1 1 88 88 ALA N N 15 130.934 . . . . . . . . 167 A N . 27493 1 176 . 1 1 89 89 GLU H H 1 9.050 . . . . . . . . 168 E H . 27493 1 177 . 1 1 89 89 GLU N N 15 119.705 . . . . . . . . 168 E N . 27493 1 178 . 1 1 90 90 ILE H H 1 8.419 . . . . . . . . 169 I H . 27493 1 179 . 1 1 90 90 ILE N N 15 122.663 . . . . . . . . 169 I N . 27493 1 180 . 1 1 91 91 ASP H H 1 9.734 . . . . . . . . 170 D H . 27493 1 181 . 1 1 91 91 ASP N N 15 129.385 . . . . . . . . 170 D N . 27493 1 182 . 1 1 92 92 SER H H 1 7.834 . . . . . . . . 171 S H . 27493 1 183 . 1 1 92 92 SER N N 15 110.827 . . . . . . . . 171 S N . 27493 1 184 . 1 1 93 93 ALA H H 1 8.561 . . . . . . . . 172 A H . 27493 1 185 . 1 1 93 93 ALA N N 15 123.866 . . . . . . . . 172 A N . 27493 1 186 . 1 1 94 94 GLU H H 1 8.939 . . . . . . . . 173 E H . 27493 1 187 . 1 1 94 94 GLU N N 15 121.042 . . . . . . . . 173 E N . 27493 1 188 . 1 1 95 95 LYS H H 1 8.692 . . . . . . . . 174 K H . 27493 1 189 . 1 1 95 95 LYS N N 15 127.630 . . . . . . . . 174 K N . 27493 1 190 . 1 1 96 96 THR H H 1 8.118 . . . . . . . . 175 T H . 27493 1 191 . 1 1 96 96 THR N N 15 122.328 . . . . . . . . 175 T N . 27493 1 192 . 1 1 97 97 THR H H 1 8.079 . . . . . . . . 176 T H . 27493 1 193 . 1 1 97 97 THR N N 15 119.077 . . . . . . . . 176 T N . 27493 1 194 . 1 1 98 98 VAL H H 1 8.665 . . . . . . . . 177 V H . 27493 1 195 . 1 1 98 98 VAL N N 15 120.945 . . . . . . . . 177 V N . 27493 1 196 . 1 1 99 99 TYR H H 1 9.437 . . . . . . . . 178 Y H . 27493 1 197 . 1 1 99 99 TYR N N 15 119.154 . . . . . . . . 178 Y N . 27493 1 198 . 1 1 100 100 MET H H 1 8.615 . . . . . . . . 179 M H . 27493 1 199 . 1 1 100 100 MET N N 15 123.625 . . . . . . . . 179 M N . 27493 1 200 . 1 1 101 101 VAL H H 1 8.239 . . . . . . . . 180 V H . 27493 1 201 . 1 1 101 101 VAL N N 15 114.149 . . . . . . . . 180 V N . 27493 1 202 . 1 1 102 102 ASP H H 1 8.536 . . . . . . . . 181 D H . 27493 1 203 . 1 1 102 102 ASP N N 15 121.963 . . . . . . . . 181 D N . 27493 1 204 . 1 1 103 103 TYR H H 1 8.922 . . . . . . . . 182 Y H . 27493 1 205 . 1 1 103 103 TYR N N 15 118.706 . . . . . . . . 182 Y N . 27493 1 206 . 1 1 104 104 THR H H 1 7.963 . . . . . . . . 183 T H . 27493 1 207 . 1 1 104 104 THR N N 15 117.421 . . . . . . . . 183 T N . 27493 1 208 . 1 1 105 105 SER H H 1 8.751 . . . . . . . . 184 S H . 27493 1 209 . 1 1 105 105 SER N N 15 121.996 . . . . . . . . 184 S N . 27493 1 210 . 1 1 106 106 THR H H 1 9.926 . . . . . . . . 185 T H . 27493 1 211 . 1 1 106 106 THR N N 15 121.296 . . . . . . . . 185 T N . 27493 1 212 . 1 1 107 107 THR H H 1 8.072 . . . . . . . . 186 T H . 27493 1 213 . 1 1 107 107 THR N N 15 112.167 . . . . . . . . 186 T N . 27493 1 214 . 1 1 109 109 GLY H H 1 7.629 . . . . . . . . 188 G H . 27493 1 215 . 1 1 109 109 GLY N N 15 110.970 . . . . . . . . 188 G N . 27493 1 216 . 1 1 110 110 GLU H H 1 7.970 . . . . . . . . 189 E H . 27493 1 217 . 1 1 110 110 GLU N N 15 120.476 . . . . . . . . 189 E N . 27493 1 218 . 1 1 111 111 LYS H H 1 8.516 . . . . . . . . 190 K H . 27493 1 219 . 1 1 111 111 LYS N N 15 123.688 . . . . . . . . 190 K N . 27493 1 220 . 1 1 112 112 VAL H H 1 8.998 . . . . . . . . 191 V H . 27493 1 221 . 1 1 112 112 VAL N N 15 130.745 . . . . . . . . 191 V N . 27493 1 222 . 1 1 113 113 LYS H H 1 8.353 . . . . . . . . 192 K H . 27493 1 223 . 1 1 113 113 LYS N N 15 125.547 . . . . . . . . 192 K N . 27493 1 224 . 1 1 114 114 ASN H H 1 9.573 . . . . . . . . 193 N H . 27493 1 225 . 1 1 114 114 ASN HD21 H 1 7.575 . . . . . . . . 193 N HD21 . 27493 1 226 . 1 1 114 114 ASN HD22 H 1 6.900 . . . . . . . . 193 N HD22 . 27493 1 227 . 1 1 114 114 ASN N N 15 119.642 . . . . . . . . 193 N N . 27493 1 228 . 1 1 114 114 ASN ND2 N 15 114.066 . . . . . . . . 193 N ND2 . 27493 1 229 . 1 1 115 115 HIS H H 1 9.245 . . . . . . . . 194 H H . 27493 1 230 . 1 1 115 115 HIS N N 15 118.242 . . . . . . . . 194 H N . 27493 1 231 . 1 1 116 116 LYS H H 1 6.679 . . . . . . . . 195 K H . 27493 1 232 . 1 1 116 116 LYS N N 15 128.370 . . . . . . . . 195 K N . 27493 1 233 . 1 1 117 117 TRP H H 1 7.169 . . . . . . . . 196 W H . 27493 1 234 . 1 1 117 117 TRP N N 15 118.537 . . . . . . . . 196 W N . 27493 1 235 . 1 1 118 118 VAL H H 1 8.909 . . . . . . . . 197 V H . 27493 1 236 . 1 1 118 118 VAL N N 15 114.344 . . . . . . . . 197 V N . 27493 1 237 . 1 1 119 119 THR H H 1 9.160 . . . . . . . . 198 T H . 27493 1 238 . 1 1 119 119 THR N N 15 113.662 . . . . . . . . 198 T N . 27493 1 239 . 1 1 120 120 GLU H H 1 8.108 . . . . . . . . 199 E H . 27493 1 240 . 1 1 120 120 GLU N N 15 118.556 . . . . . . . . 199 E N . 27493 1 241 . 1 1 121 121 ASP H H 1 8.085 . . . . . . . . 200 D H . 27493 1 242 . 1 1 121 121 ASP N N 15 113.212 . . . . . . . . 200 D N . 27493 1 243 . 1 1 122 122 GLU H H 1 7.903 . . . . . . . . 201 E H . 27493 1 244 . 1 1 122 122 GLU N N 15 118.573 . . . . . . . . 201 E N . 27493 1 245 . 1 1 123 123 LEU H H 1 7.417 . . . . . . . . 202 L H . 27493 1 246 . 1 1 123 123 LEU N N 15 117.259 . . . . . . . . 202 L N . 27493 1 247 . 1 1 124 124 SER H H 1 8.727 . . . . . . . . 203 S H . 27493 1 248 . 1 1 124 124 SER N N 15 114.296 . . . . . . . . 203 S N . 27493 1 249 . 1 1 125 125 ALA H H 1 8.693 . . . . . . . . 204 A H . 27493 1 250 . 1 1 125 125 ALA N N 15 126.400 . . . . . . . . 204 A N . 27493 1 251 . 1 1 126 126 LYS H H 1 8.118 . . . . . . . . 205 K H . 27493 1 252 . 1 1 126 126 LYS N N 15 122.328 . . . . . . . . 205 K N . 27493 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 27493 _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' . . . 27493 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 8 8 GLN NE2 N 15 112.693 . . . . . . . . 87 Q NE2 . 27493 2 2 . 1 1 12 12 ASN ND2 N 15 112.234 . . . . . . . . 91 N ND2 . 27493 2 3 . 1 1 43 43 ASN ND2 N 15 110.970 . . . . . . . . 122 N ND2 . 27493 2 4 . 1 1 46 46 GLN NE2 N 15 112.722 . . . . . . . . 125 Q NE2 . 27493 2 5 . 1 1 56 56 GLN NE2 N 15 111.320 . . . . . . . . 135 Q NE2 . 27493 2 6 . 1 1 68 68 GLN NE2 N 15 113.254 . . . . . . . . 147 Q NE2 . 27493 2 7 . 1 1 72 72 GLN NE2 N 15 112.610 . . . . . . . . 151 Q NE2 . 27493 2 8 . 1 1 114 114 ASN ND2 N 15 114.063 . . . . . . . . 193 N ND2 . 27493 2 stop_ save_