################################### # 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_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 52206 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name rmGR2-CTD _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 $chem_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' . . . 52206 1 2 '3D HNCA' . . . 52206 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $software_1 . . 52206 1 2 $software_2 . . 52206 1 3 $software_3 . . 52206 1 4 $software_4 . . 52206 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_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 1 1 PRO CA C 13 63.179 0.00 . . . . . . . 821 PRO CA . 52206 1 2 . 1 . 1 2 2 GLN H H 1 8.659 0.00 . . . . . . . 822 GLN H . 52206 1 3 . 1 . 1 2 2 GLN CA C 13 55.777 0.01 . . . . . . . 822 GLN CA . 52206 1 4 . 1 . 1 2 2 GLN N N 15 121.785 0.01 . . . . . . . 822 GLN N . 52206 1 5 . 1 . 1 3 3 LYS H H 1 8.505 0.00 . . . . . . . 823 LYS H . 52206 1 6 . 1 . 1 3 3 LYS CA C 13 56.432 0.01 . . . . . . . 823 LYS CA . 52206 1 7 . 1 . 1 3 3 LYS N N 15 123.151 0.00 . . . . . . . 823 LYS N . 52206 1 8 . 1 . 1 4 4 ASN H H 1 8.607 0.00 . . . . . . . 824 ASN H . 52206 1 9 . 1 . 1 4 4 ASN CA C 13 53.282 0.00 . . . . . . . 824 ASN CA . 52206 1 10 . 1 . 1 4 4 ASN N N 15 120.378 0.00 . . . . . . . 824 ASN N . 52206 1 11 . 1 . 1 5 5 VAL H H 1 8.202 0.00 . . . . . . . 825 VAL H . 52206 1 12 . 1 . 1 5 5 VAL CA C 13 62.379 0.01 . . . . . . . 825 VAL CA . 52206 1 13 . 1 . 1 5 5 VAL N N 15 121.280 0.01 . . . . . . . 825 VAL N . 52206 1 14 . 1 . 1 6 6 VAL H H 1 8.366 0.00 . . . . . . . 826 VAL H . 52206 1 15 . 1 . 1 6 6 VAL CA C 13 62.306 0.01 . . . . . . . 826 VAL CA . 52206 1 16 . 1 . 1 6 6 VAL N N 15 125.037 0.01 . . . . . . . 826 VAL N . 52206 1 17 . 1 . 1 7 7 SER H H 1 8.443 0.00 . . . . . . . 827 SER H . 52206 1 18 . 1 . 1 7 7 SER CA C 13 58.110 0.00 . . . . . . . 827 SER CA . 52206 1 19 . 1 . 1 7 7 SER N N 15 120.001 0.00 . . . . . . . 827 SER N . 52206 1 20 . 1 . 1 8 8 HIS H H 1 8.440 0.00 . . . . . . . 828 HIS H . 52206 1 21 . 1 . 1 8 8 HIS CA C 13 56.176 0.00 . . . . . . . 828 HIS CA . 52206 1 22 . 1 . 1 8 8 HIS N N 15 122.273 0.00 . . . . . . . 828 HIS N . 52206 1 23 . 1 . 1 9 9 ARG H H 1 8.271 0.00 . . . . . . . 829 ARG H . 52206 1 24 . 1 . 1 9 9 ARG CA C 13 55.653 0.01 . . . . . . . 829 ARG CA . 52206 1 25 . 1 . 1 9 9 ARG N N 15 122.790 0.00 . . . . . . . 829 ARG N . 52206 1 26 . 1 . 1 10 10 ALA H H 1 8.501 0.00 . . . . . . . 830 ALA H . 52206 1 27 . 1 . 1 10 10 ALA CA C 13 50.619 0.00 . . . . . . . 830 ALA CA . 52206 1 28 . 1 . 1 10 10 ALA N N 15 127.468 0.01 . . . . . . . 830 ALA N . 52206 1 29 . 1 . 1 11 11 PRO CA C 13 63.227 0.00 . . . . . . . 831 PRO CA . 52206 1 30 . 1 . 1 12 12 THR H H 1 8.289 0.00 . . . . . . . 832 THR H . 52206 1 31 . 1 . 1 12 12 THR CA C 13 61.895 0.01 . . . . . . . 832 THR CA . 52206 1 32 . 1 . 1 12 12 THR N N 15 114.063 0.00 . . . . . . . 832 THR N . 52206 1 33 . 1 . 1 13 13 SER H H 1 8.352 0.00 . . . . . . . 833 SER H . 52206 1 34 . 1 . 1 13 13 SER CA C 13 58.183 0.01 . . . . . . . 833 SER CA . 52206 1 35 . 1 . 1 13 13 SER N N 15 118.330 0.01 . . . . . . . 833 SER N . 52206 1 36 . 1 . 1 14 14 ARG H H 1 8.442 0.00 . . . . . . . 834 ARG H . 52206 1 37 . 1 . 1 14 14 ARG CA C 13 56.454 0.01 . . . . . . . 834 ARG CA . 52206 1 38 . 1 . 1 14 14 ARG N N 15 123.316 0.00 . . . . . . . 834 ARG N . 52206 1 39 . 1 . 1 15 15 PHE H H 1 8.331 0.00 . . . . . . . 835 PHE H . 52206 1 40 . 1 . 1 15 15 PHE CA C 13 57.850 0.00 . . . . . . . 835 PHE CA . 52206 1 41 . 1 . 1 15 15 PHE N N 15 120.697 0.01 . . . . . . . 835 PHE N . 52206 1 42 . 1 . 1 16 16 GLY H H 1 8.348 0.00 . . . . . . . 836 GLY H . 52206 1 43 . 1 . 1 16 16 GLY CA C 13 45.355 0.02 . . . . . . . 836 GLY CA . 52206 1 44 . 1 . 1 16 16 GLY N N 15 110.886 0.00 . . . . . . . 836 GLY N . 52206 1 45 . 1 . 1 17 17 SER H H 1 8.269 0.01 . . . . . . . 837 SER H . 52206 1 46 . 1 . 1 17 17 SER CA C 13 58.382 0.03 . . . . . . . 837 SER CA . 52206 1 47 . 1 . 1 17 17 SER N N 15 115.923 0.00 . . . . . . . 837 SER N . 52206 1 48 . 1 . 1 18 18 ALA H H 1 8.395 0.00 . . . . . . . 838 ALA H . 52206 1 49 . 1 . 1 18 18 ALA CA C 13 52.143 0.00 . . . . . . . 838 ALA CA . 52206 1 50 . 1 . 1 18 18 ALA N N 15 125.908 0.01 . . . . . . . 838 ALA N . 52206 1 51 . 1 . 1 19 19 ALA H H 1 8.278 0.00 . . . . . . . 839 ALA H . 52206 1 52 . 1 . 1 19 19 ALA CA C 13 50.579 0.00 . . . . . . . 839 ALA CA . 52206 1 53 . 1 . 1 19 19 ALA N N 15 125.005 0.00 . . . . . . . 839 ALA N . 52206 1 54 . 1 . 1 20 20 PRO CA C 13 63.061 0.00 . . . . . . . 840 PRO CA . 52206 1 55 . 1 . 1 21 21 ARG H H 1 8.503 0.00 . . . . . . . 841 ARG H . 52206 1 56 . 1 . 1 21 21 ARG CA C 13 56.045 0.00 . . . . . . . 841 ARG CA . 52206 1 57 . 1 . 1 21 21 ARG N N 15 121.728 0.01 . . . . . . . 841 ARG N . 52206 1 58 . 1 . 1 22 22 ALA H H 1 8.491 0.00 . . . . . . . 842 ALA H . 52206 1 59 . 1 . 1 22 22 ALA CA C 13 52.719 0.01 . . . . . . . 842 ALA CA . 52206 1 60 . 1 . 1 22 22 ALA N N 15 125.802 0.01 . . . . . . . 842 ALA N . 52206 1 61 . 1 . 1 23 23 SER H H 1 8.344 0.00 . . . . . . . 843 SER H . 52206 1 62 . 1 . 1 23 23 SER CA C 13 58.358 0.01 . . . . . . . 843 SER CA . 52206 1 63 . 1 . 1 23 23 SER N N 15 115.108 0.01 . . . . . . . 843 SER N . 52206 1 64 . 1 . 1 24 24 ALA H H 1 8.382 0.01 . . . . . . . 844 ALA H . 52206 1 65 . 1 . 1 24 24 ALA CA C 13 52.960 0.08 . . . . . . . 844 ALA CA . 52206 1 66 . 1 . 1 24 24 ALA N N 15 125.875 0.01 . . . . . . . 844 ALA N . 52206 1 67 . 1 . 1 25 25 ASN H H 1 8.429 0.00 . . . . . . . 845 ASN H . 52206 1 68 . 1 . 1 25 25 ASN CA C 13 53.164 0.01 . . . . . . . 845 ASN CA . 52206 1 69 . 1 . 1 25 25 ASN N N 15 117.536 0.00 . . . . . . . 845 ASN N . 52206 1 70 . 1 . 1 26 26 LEU H H 1 8.298 0.00 . . . . . . . 846 LEU H . 52206 1 71 . 1 . 1 26 26 LEU CA C 13 55.433 0.01 . . . . . . . 846 LEU CA . 52206 1 72 . 1 . 1 26 26 LEU N N 15 122.601 0.02 . . . . . . . 846 LEU N . 52206 1 73 . 1 . 1 27 27 GLY H H 1 8.505 0.00 . . . . . . . 847 GLY H . 52206 1 74 . 1 . 1 27 27 GLY CA C 13 45.441 0.01 . . . . . . . 847 GLY CA . 52206 1 75 . 1 . 1 27 27 GLY N N 15 109.462 0.01 . . . . . . . 847 GLY N . 52206 1 76 . 1 . 1 28 28 GLN H H 1 8.359 0.00 . . . . . . . 848 GLN H . 52206 1 77 . 1 . 1 28 28 GLN CA C 13 55.985 0.01 . . . . . . . 848 GLN CA . 52206 1 78 . 1 . 1 28 28 GLN N N 15 119.938 0.00 . . . . . . . 848 GLN N . 52206 1 79 . 1 . 1 29 29 GLY H H 1 8.600 0.00 . . . . . . . 849 GLY H . 52206 1 80 . 1 . 1 29 29 GLY CA C 13 45.311 0.00 . . . . . . . 849 GLY CA . 52206 1 81 . 1 . 1 29 29 GLY N N 15 110.475 0.01 . . . . . . . 849 GLY N . 52206 1 82 . 1 . 1 30 30 SER H H 1 8.418 0.00 . . . . . . . 850 SER H . 52206 1 83 . 1 . 1 30 30 SER CA C 13 58.688 0.00 . . . . . . . 850 SER CA . 52206 1 84 . 1 . 1 30 30 SER N N 15 116.010 0.03 . . . . . . . 850 SER N . 52206 1 85 . 1 . 1 31 31 GLY H H 1 8.626 0.00 . . . . . . . 851 GLY H . 52206 1 86 . 1 . 1 31 31 GLY CA C 13 45.442 0.01 . . . . . . . 851 GLY CA . 52206 1 87 . 1 . 1 31 31 GLY N N 15 111.321 0.01 . . . . . . . 851 GLY N . 52206 1 88 . 1 . 1 32 32 SER H H 1 8.278 0.00 . . . . . . . 852 SER H . 52206 1 89 . 1 . 1 32 32 SER CA C 13 58.488 0.01 . . . . . . . 852 SER CA . 52206 1 90 . 1 . 1 32 32 SER N N 15 115.930 0.01 . . . . . . . 852 SER N . 52206 1 91 . 1 . 1 33 33 GLN H H 1 8.512 0.00 . . . . . . . 853 GLN H . 52206 1 92 . 1 . 1 33 33 GLN CA C 13 55.723 0.00 . . . . . . . 853 GLN CA . 52206 1 93 . 1 . 1 33 33 GLN N N 15 122.154 0.01 . . . . . . . 853 GLN N . 52206 1 94 . 1 . 1 34 34 LEU H H 1 8.307 0.00 . . . . . . . 854 LEU H . 52206 1 95 . 1 . 1 34 34 LEU CA C 13 55.251 0.00 . . . . . . . 854 LEU CA . 52206 1 96 . 1 . 1 34 34 LEU N N 15 123.536 0.00 . . . . . . . 854 LEU N . 52206 1 97 . 1 . 1 35 35 VAL H H 1 8.239 0.00 . . . . . . . 855 VAL H . 52206 1 98 . 1 . 1 35 35 VAL CA C 13 59.772 0.00 . . . . . . . 855 VAL CA . 52206 1 99 . 1 . 1 35 35 VAL N N 15 123.114 0.01 . . . . . . . 855 VAL N . 52206 1 100 . 1 . 1 36 36 PRO CA C 13 63.184 0.00 . . . . . . . 856 PRO CA . 52206 1 101 . 1 . 1 37 37 THR H H 1 8.408 0.00 . . . . . . . 857 THR H . 52206 1 102 . 1 . 1 37 37 THR CA C 13 62.158 0.00 . . . . . . . 857 THR CA . 52206 1 103 . 1 . 1 37 37 THR N N 15 116.046 0.01 . . . . . . . 857 THR N . 52206 1 104 . 1 . 1 38 38 VAL CA C 13 62.137 0.00 . . . . . . . 858 VAL CA . 52206 1 105 . 1 . 1 39 39 CYS H H 1 8.635 0.00 . . . . . . . 859 CYS H . 52206 1 106 . 1 . 1 39 39 CYS CA C 13 58.552 0.01 . . . . . . . 859 CYS CA . 52206 1 107 . 1 . 1 39 39 CYS N N 15 124.183 0.02 . . . . . . . 859 CYS N . 52206 1 108 . 1 . 1 40 40 ASN H H 1 8.786 0.00 . . . . . . . 860 ASN H . 52206 1 109 . 1 . 1 40 40 ASN CA C 13 53.433 0.01 . . . . . . . 860 ASN CA . 52206 1 110 . 1 . 1 40 40 ASN N N 15 122.637 0.01 . . . . . . . 860 ASN N . 52206 1 111 . 1 . 1 41 41 GLY H H 1 8.553 0.00 . . . . . . . 861 GLY H . 52206 1 112 . 1 . 1 41 41 GLY CA C 13 45.515 0.01 . . . . . . . 861 GLY CA . 52206 1 113 . 1 . 1 41 41 GLY N N 15 109.478 0.03 . . . . . . . 861 GLY N . 52206 1 114 . 1 . 1 42 42 ARG H H 1 8.182 0.00 . . . . . . . 862 ARG H . 52206 1 115 . 1 . 1 42 42 ARG CA C 13 55.904 0.01 . . . . . . . 862 ARG CA . 52206 1 116 . 1 . 1 42 42 ARG N N 15 120.502 0.01 . . . . . . . 862 ARG N . 52206 1 117 . 1 . 1 43 43 GLU H H 1 8.607 0.00 . . . . . . . 863 GLU H . 52206 1 118 . 1 . 1 43 43 GLU CA C 13 56.613 0.00 . . . . . . . 863 GLU CA . 52206 1 119 . 1 . 1 43 43 GLU N N 15 122.449 0.01 . . . . . . . 863 GLU N . 52206 1 120 . 1 . 1 44 44 VAL H H 1 8.352 0.00 . . . . . . . 864 VAL H . 52206 1 121 . 1 . 1 44 44 VAL CA C 13 62.361 0.01 . . . . . . . 864 VAL CA . 52206 1 122 . 1 . 1 44 44 VAL N N 15 122.784 0.01 . . . . . . . 864 VAL N . 52206 1 123 . 1 . 1 45 45 VAL H H 1 8.319 0.00 . . . . . . . 865 VAL H . 52206 1 124 . 1 . 1 45 45 VAL CA C 13 62.137 0.01 . . . . . . . 865 VAL CA . 52206 1 125 . 1 . 1 45 45 VAL N N 15 123.248 0.04 . . . . . . . 865 VAL N . 52206 1 126 . 1 . 1 46 46 ASP H H 1 8.560 0.00 . . . . . . . 866 ASP H . 52206 1 127 . 1 . 1 46 46 ASP CA C 13 54.104 0.00 . . . . . . . 866 ASP CA . 52206 1 128 . 1 . 1 46 46 ASP N N 15 124.985 0.00 . . . . . . . 866 ASP N . 52206 1 129 . 1 . 1 47 47 SER H H 1 8.541 0.00 . . . . . . . 867 SER H . 52206 1 130 . 1 . 1 47 47 SER CA C 13 58.682 0.01 . . . . . . . 867 SER CA . 52206 1 131 . 1 . 1 47 47 SER N N 15 117.826 0.01 . . . . . . . 867 SER N . 52206 1 132 . 1 . 1 48 48 THR H H 1 8.473 0.00 . . . . . . . 868 THR H . 52206 1 133 . 1 . 1 48 48 THR CA C 13 62.651 0.01 . . . . . . . 868 THR CA . 52206 1 134 . 1 . 1 48 48 THR N N 15 115.881 0.00 . . . . . . . 868 THR N . 52206 1 135 . 1 . 1 49 49 THR H H 1 8.167 0.00 . . . . . . . 869 THR H . 52206 1 136 . 1 . 1 49 49 THR CA C 13 62.034 0.00 . . . . . . . 869 THR CA . 52206 1 137 . 1 . 1 49 49 THR N N 15 116.058 0.00 . . . . . . . 869 THR N . 52206 1 138 . 1 . 1 50 50 SER H H 1 8.355 0.00 . . . . . . . 870 SER H . 52206 1 139 . 1 . 1 50 50 SER CA C 13 58.335 0.01 . . . . . . . 870 SER CA . 52206 1 140 . 1 . 1 50 50 SER N N 15 118.331 0.01 . . . . . . . 870 SER N . 52206 1 141 . 1 . 1 51 51 SER H H 1 8.447 0.00 . . . . . . . 871 SER H . 52206 1 142 . 1 . 1 51 51 SER CA C 13 58.285 0.00 . . . . . . . 871 SER CA . 52206 1 143 . 1 . 1 51 51 SER N N 15 118.801 0.00 . . . . . . . 871 SER N . 52206 1 144 . 1 . 1 52 52 LEU H H 1 7.993 0.00 . . . . . . . 872 LEU H . 52206 1 145 . 1 . 1 52 52 LEU CA C 13 56.914 0.00 . . . . . . . 872 LEU CA . 52206 1 146 . 1 . 1 52 52 LEU N N 15 129.513 0.01 . . . . . . . 872 LEU N . 52206 1 stop_ save_