################################### # 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 27094 _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 1 '2D 1H-15N HSQC' . . . 27094 1 2 '3D HNCACB' . . . 27094 1 3 '3D CBCA(CO)NH' . . . 27094 1 4 '3D HNCO' . . . 27094 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 3 $Analysis . . 27094 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 3 3 ASP H H 1 8.619 0.001 . 1 . . . . . 78 ASP H . 27094 1 2 . 1 . 1 3 3 ASP C C 13 176.179 0.000 . 1 . . . . . 78 ASP C . 27094 1 3 . 1 . 1 3 3 ASP CA C 13 54.709 0.033 . 1 . . . . . 78 ASP CA . 27094 1 4 . 1 . 1 3 3 ASP CB C 13 41.082 0.031 . 1 . . . . . 78 ASP CB . 27094 1 5 . 1 . 1 3 3 ASP N N 15 122.484 0.014 . 1 . . . . . 78 ASP N . 27094 1 6 . 1 . 1 4 4 THR H H 1 8.008 0.001 . 1 . . . . . 79 THR H . 27094 1 7 . 1 . 1 4 4 THR C C 13 174.208 0.000 . 1 . . . . . 79 THR C . 27094 1 8 . 1 . 1 4 4 THR CA C 13 61.899 0.014 . 1 . . . . . 79 THR CA . 27094 1 9 . 1 . 1 4 4 THR CB C 13 69.883 0.003 . 1 . . . . . 79 THR CB . 27094 1 10 . 1 . 1 4 4 THR N N 15 113.311 0.005 . 1 . . . . . 79 THR N . 27094 1 11 . 1 . 1 5 5 ASP H H 1 8.229 0.001 . 1 . . . . . 80 ASP H . 27094 1 12 . 1 . 1 5 5 ASP C C 13 176.169 0.000 . 1 . . . . . 80 ASP C . 27094 1 13 . 1 . 1 5 5 ASP CA C 13 54.806 0.010 . 1 . . . . . 80 ASP CA . 27094 1 14 . 1 . 1 5 5 ASP CB C 13 41.589 0.041 . 1 . . . . . 80 ASP CB . 27094 1 15 . 1 . 1 5 5 ASP N N 15 122.466 0.005 . 1 . . . . . 80 ASP N . 27094 1 16 . 1 . 1 6 6 SER H H 1 8.485 0.001 . 1 . . . . . 81 SER H . 27094 1 17 . 1 . 1 6 6 SER C C 13 175.041 0.000 . 1 . . . . . 81 SER C . 27094 1 18 . 1 . 1 6 6 SER CA C 13 58.719 0.039 . 1 . . . . . 81 SER CA . 27094 1 19 . 1 . 1 6 6 SER CB C 13 64.286 0.016 . 1 . . . . . 81 SER CB . 27094 1 20 . 1 . 1 6 6 SER N N 15 116.816 0.016 . 1 . . . . . 81 SER N . 27094 1 21 . 1 . 1 7 7 GLU H H 1 8.758 0.001 . 1 . . . . . 82 GLU H . 27094 1 22 . 1 . 1 7 7 GLU C C 13 177.684 0.000 . 1 . . . . . 82 GLU C . 27094 1 23 . 1 . 1 7 7 GLU CA C 13 60.105 0.051 . 1 . . . . . 82 GLU CA . 27094 1 24 . 1 . 1 7 7 GLU CB C 13 29.759 0.033 . 1 . . . . . 82 GLU CB . 27094 1 25 . 1 . 1 7 7 GLU N N 15 122.488 0.014 . 1 . . . . . 82 GLU N . 27094 1 26 . 1 . 1 8 8 GLU H H 1 8.357 0.001 . 1 . . . . . 83 GLU H . 27094 1 27 . 1 . 1 8 8 GLU C C 13 178.447 0.000 . 1 . . . . . 83 GLU C . 27094 1 28 . 1 . 1 8 8 GLU CA C 13 59.515 0.047 . 1 . . . . . 83 GLU CA . 27094 1 29 . 1 . 1 8 8 GLU CB C 13 29.326 0.078 . 1 . . . . . 83 GLU CB . 27094 1 30 . 1 . 1 8 8 GLU N N 15 117.939 0.006 . 1 . . . . . 83 GLU N . 27094 1 31 . 1 . 1 9 9 GLU H H 1 7.872 0.001 . 1 . . . . . 84 GLU H . 27094 1 32 . 1 . 1 9 9 GLU C C 13 179.370 0.000 . 1 . . . . . 84 GLU C . 27094 1 33 . 1 . 1 9 9 GLU CA C 13 59.372 0.044 . 1 . . . . . 84 GLU CA . 27094 1 34 . 1 . 1 9 9 GLU CB C 13 29.948 0.062 . 1 . . . . . 84 GLU CB . 27094 1 35 . 1 . 1 9 9 GLU N N 15 119.013 0.007 . 1 . . . . . 84 GLU N . 27094 1 36 . 1 . 1 10 10 ILE H H 1 8.036 0.002 . 1 . . . . . 85 ILE H . 27094 1 37 . 1 . 1 10 10 ILE C C 13 177.594 0.000 . 1 . . . . . 85 ILE C . 27094 1 38 . 1 . 1 10 10 ILE CA C 13 64.824 0.022 . 1 . . . . . 85 ILE CA . 27094 1 39 . 1 . 1 10 10 ILE CB C 13 38.086 0.106 . 1 . . . . . 85 ILE CB . 27094 1 40 . 1 . 1 10 10 ILE N N 15 119.570 0.011 . 1 . . . . . 85 ILE N . 27094 1 41 . 1 . 1 11 11 ARG H H 1 8.516 0.003 . 1 . . . . . 86 ARG H . 27094 1 42 . 1 . 1 11 11 ARG C C 13 178.386 0.000 . 1 . . . . . 86 ARG C . 27094 1 43 . 1 . 1 11 11 ARG CA C 13 61.508 0.012 . 1 . . . . . 86 ARG CA . 27094 1 44 . 1 . 1 11 11 ARG CB C 13 30.509 0.053 . 1 . . . . . 86 ARG CB . 27094 1 45 . 1 . 1 11 11 ARG N N 15 120.593 0.014 . 1 . . . . . 86 ARG N . 27094 1 46 . 1 . 1 12 12 GLU H H 1 8.385 0.001 . 1 . . . . . 87 GLU H . 27094 1 47 . 1 . 1 12 12 GLU C C 13 178.219 0.000 . 1 . . . . . 87 GLU C . 27094 1 48 . 1 . 1 12 12 GLU CA C 13 58.826 0.030 . 1 . . . . . 87 GLU CA . 27094 1 49 . 1 . 1 12 12 GLU CB C 13 29.208 0.059 . 1 . . . . . 87 GLU CB . 27094 1 50 . 1 . 1 12 12 GLU N N 15 116.434 0.011 . 1 . . . . . 87 GLU N . 27094 1 51 . 1 . 1 13 13 ALA H H 1 7.579 0.001 . 1 . . . . . 88 ALA H . 27094 1 52 . 1 . 1 13 13 ALA C C 13 178.899 0.000 . 1 . . . . . 88 ALA C . 27094 1 53 . 1 . 1 13 13 ALA CA C 13 54.916 0.016 . 1 . . . . . 88 ALA CA . 27094 1 54 . 1 . 1 13 13 ALA CB C 13 18.381 0.047 . 1 . . . . . 88 ALA CB . 27094 1 55 . 1 . 1 13 13 ALA N N 15 122.220 0.011 . 1 . . . . . 88 ALA N . 27094 1 56 . 1 . 1 14 14 PHE H H 1 7.686 0.002 . 1 . . . . . 89 PHE H . 27094 1 57 . 1 . 1 14 14 PHE C C 13 178.698 0.000 . 1 . . . . . 89 PHE C . 27094 1 58 . 1 . 1 14 14 PHE CA C 13 62.883 0.014 . 1 . . . . . 89 PHE CA . 27094 1 59 . 1 . 1 14 14 PHE CB C 13 39.988 0.058 . 1 . . . . . 89 PHE CB . 27094 1 60 . 1 . 1 14 14 PHE N N 15 114.159 0.005 . 1 . . . . . 89 PHE N . 27094 1 61 . 1 . 1 15 15 ARG H H 1 8.014 0.001 . 1 . . . . . 90 ARG H . 27094 1 62 . 1 . 1 15 15 ARG C C 13 178.899 0.000 . 1 . . . . . 90 ARG C . 27094 1 63 . 1 . 1 15 15 ARG CA C 13 59.458 0.023 . 1 . . . . . 90 ARG CA . 27094 1 64 . 1 . 1 15 15 ARG CB C 13 30.098 0.067 . 1 . . . . . 90 ARG CB . 27094 1 65 . 1 . 1 15 15 ARG N N 15 117.548 0.010 . 1 . . . . . 90 ARG N . 27094 1 66 . 1 . 1 16 16 VAL H H 1 7.059 0.002 . 1 . . . . . 91 VAL H . 27094 1 67 . 1 . 1 16 16 VAL C C 13 176.611 0.000 . 1 . . . . . 91 VAL C . 27094 1 68 . 1 . 1 16 16 VAL CA C 13 65.515 0.015 . 1 . . . . . 91 VAL CA . 27094 1 69 . 1 . 1 16 16 VAL CB C 13 31.433 0.044 . 1 . . . . . 91 VAL CB . 27094 1 70 . 1 . 1 16 16 VAL N N 15 118.906 0.012 . 1 . . . . . 91 VAL N . 27094 1 71 . 1 . 1 17 17 PHE H H 1 7.352 0.001 . 1 . . . . . 92 PHE H . 27094 1 72 . 1 . 1 17 17 PHE C C 13 174.327 0.000 . 1 . . . . . 92 PHE C . 27094 1 73 . 1 . 1 17 17 PHE CA C 13 58.102 0.011 . 1 . . . . . 92 PHE CA . 27094 1 74 . 1 . 1 17 17 PHE CB C 13 39.413 0.041 . 1 . . . . . 92 PHE CB . 27094 1 75 . 1 . 1 17 17 PHE N N 15 116.553 0.006 . 1 . . . . . 92 PHE N . 27094 1 76 . 1 . 1 18 18 ASP H H 1 7.536 0.000 . 1 . . . . . 93 ASP H . 27094 1 77 . 1 . 1 18 18 ASP C C 13 176.230 0.000 . 1 . . . . . 93 ASP C . 27094 1 78 . 1 . 1 18 18 ASP CA C 13 52.520 0.027 . 1 . . . . . 93 ASP CA . 27094 1 79 . 1 . 1 18 18 ASP CB C 13 40.600 0.040 . 1 . . . . . 93 ASP CB . 27094 1 80 . 1 . 1 18 18 ASP N N 15 120.645 0.004 . 1 . . . . . 93 ASP N . 27094 1 81 . 1 . 1 19 19 LYS H H 1 8.443 0.001 . 1 . . . . . 94 LYS H . 27094 1 82 . 1 . 1 19 19 LYS C C 13 178.097 0.000 . 1 . . . . . 94 LYS C . 27094 1 83 . 1 . 1 19 19 LYS CA C 13 58.627 0.019 . 1 . . . . . 94 LYS CA . 27094 1 84 . 1 . 1 19 19 LYS CB C 13 32.569 0.034 . 1 . . . . . 94 LYS CB . 27094 1 85 . 1 . 1 19 19 LYS N N 15 125.280 0.010 . 1 . . . . . 94 LYS N . 27094 1 86 . 1 . 1 20 20 ASP H H 1 8.485 0.001 . 1 . . . . . 95 ASP H . 27094 1 87 . 1 . 1 20 20 ASP C C 13 176.957 0.000 . 1 . . . . . 95 ASP C . 27094 1 88 . 1 . 1 20 20 ASP CA C 13 55.103 0.020 . 1 . . . . . 95 ASP CA . 27094 1 89 . 1 . 1 20 20 ASP CB C 13 41.622 0.021 . 1 . . . . . 95 ASP CB . 27094 1 90 . 1 . 1 20 20 ASP N N 15 116.968 0.018 . 1 . . . . . 95 ASP N . 27094 1 91 . 1 . 1 21 21 GLY H H 1 8.330 0.001 . 1 . . . . . 96 GLY H . 27094 1 92 . 1 . 1 21 21 GLY C C 13 175.012 0.000 . 1 . . . . . 96 GLY C . 27094 1 93 . 1 . 1 21 21 GLY CA C 13 46.693 0.021 . 1 . . . . . 96 GLY CA . 27094 1 94 . 1 . 1 21 21 GLY N N 15 109.794 0.006 . 1 . . . . . 96 GLY N . 27094 1 95 . 1 . 1 22 22 ASN H H 1 8.773 0.001 . 1 . . . . . 97 ASN H . 27094 1 96 . 1 . 1 22 22 ASN C C 13 175.874 0.000 . 1 . . . . . 97 ASN C . 27094 1 97 . 1 . 1 22 22 ASN CA C 13 53.248 0.014 . 1 . . . . . 97 ASN CA . 27094 1 98 . 1 . 1 22 22 ASN CB C 13 39.652 0.039 . 1 . . . . . 97 ASN CB . 27094 1 99 . 1 . 1 22 22 ASN N N 15 117.947 0.007 . 1 . . . . . 97 ASN N . 27094 1 100 . 1 . 1 23 23 GLY H H 1 9.659 0.002 . 1 . . . . . 98 GLY H . 27094 1 101 . 1 . 1 23 23 GLY C C 13 172.537 0.000 . 1 . . . . . 98 GLY C . 27094 1 102 . 1 . 1 23 23 GLY CA C 13 45.317 0.038 . 1 . . . . . 98 GLY CA . 27094 1 103 . 1 . 1 23 23 GLY N N 15 109.828 0.007 . 1 . . . . . 98 GLY N . 27094 1 104 . 1 . 1 24 24 TYR H H 1 7.985 0.002 . 1 . . . . . 99 TYR H . 27094 1 105 . 1 . 1 24 24 TYR C C 13 174.949 0.000 . 1 . . . . . 99 TYR C . 27094 1 106 . 1 . 1 24 24 TYR CA C 13 56.035 0.018 . 1 . . . . . 99 TYR CA . 27094 1 107 . 1 . 1 24 24 TYR CB C 13 42.076 0.055 . 1 . . . . . 99 TYR CB . 27094 1 108 . 1 . 1 24 24 TYR N N 15 117.734 0.012 . 1 . . . . . 99 TYR N . 27094 1 109 . 1 . 1 25 25 ILE H H 1 8.706 0.002 . 1 . . . . . 100 ILE H . 27094 1 110 . 1 . 1 25 25 ILE C C 13 174.519 0.000 . 1 . . . . . 100 ILE C . 27094 1 111 . 1 . 1 25 25 ILE CA C 13 59.368 0.019 . 1 . . . . . 100 ILE CA . 27094 1 112 . 1 . 1 25 25 ILE CB C 13 43.240 0.045 . 1 . . . . . 100 ILE CB . 27094 1 113 . 1 . 1 25 25 ILE N N 15 116.271 0.017 . 1 . . . . . 100 ILE N . 27094 1 114 . 1 . 1 26 26 SER H H 1 9.114 0.002 . 1 . . . . . 101 SER H . 27094 1 115 . 1 . 1 26 26 SER C C 13 175.653 0.000 . 1 . . . . . 101 SER C . 27094 1 116 . 1 . 1 26 26 SER CA C 13 58.338 0.020 . 1 . . . . . 101 SER CA . 27094 1 117 . 1 . 1 26 26 SER CB C 13 63.799 0.009 . 1 . . . . . 101 SER CB . 27094 1 118 . 1 . 1 26 26 SER N N 15 122.470 0.011 . 1 . . . . . 101 SER N . 27094 1 119 . 1 . 1 27 27 ALA H H 1 9.035 0.002 . 1 . . . . . 102 ALA H . 27094 1 120 . 1 . 1 27 27 ALA C C 13 179.243 0.000 . 1 . . . . . 102 ALA C . 27094 1 121 . 1 . 1 27 27 ALA CA C 13 55.560 0.037 . 1 . . . . . 102 ALA CA . 27094 1 122 . 1 . 1 27 27 ALA CB C 13 18.030 0.067 . 1 . . . . . 102 ALA CB . 27094 1 123 . 1 . 1 27 27 ALA N N 15 128.621 0.014 . 1 . . . . . 102 ALA N . 27094 1 124 . 1 . 1 28 28 ALA H H 1 8.475 0.001 . 1 . . . . . 103 ALA H . 27094 1 125 . 1 . 1 28 28 ALA C C 13 180.875 0.000 . 1 . . . . . 103 ALA C . 27094 1 126 . 1 . 1 28 28 ALA CA C 13 55.171 0.028 . 1 . . . . . 103 ALA CA . 27094 1 127 . 1 . 1 28 28 ALA CB C 13 18.288 0.029 . 1 . . . . . 103 ALA CB . 27094 1 128 . 1 . 1 28 28 ALA N N 15 119.741 0.006 . 1 . . . . . 103 ALA N . 27094 1 129 . 1 . 1 29 29 GLU H H 1 7.872 0.001 . 1 . . . . . 104 GLU H . 27094 1 130 . 1 . 1 29 29 GLU C C 13 178.457 0.000 . 1 . . . . . 104 GLU C . 27094 1 131 . 1 . 1 29 29 GLU CA C 13 58.928 0.036 . 1 . . . . . 104 GLU CA . 27094 1 132 . 1 . 1 29 29 GLU CB C 13 29.544 0.056 . 1 . . . . . 104 GLU CB . 27094 1 133 . 1 . 1 29 29 GLU N N 15 120.953 0.006 . 1 . . . . . 104 GLU N . 27094 1 134 . 1 . 1 30 30 LEU H H 1 8.533 0.001 . 1 . . . . . 105 LEU H . 27094 1 135 . 1 . 1 30 30 LEU C C 13 177.746 0.000 . 1 . . . . . 105 LEU C . 27094 1 136 . 1 . 1 30 30 LEU CA C 13 57.750 0.036 . 1 . . . . . 105 LEU CA . 27094 1 137 . 1 . 1 30 30 LEU CB C 13 41.430 0.052 . 1 . . . . . 105 LEU CB . 27094 1 138 . 1 . 1 30 30 LEU N N 15 120.062 0.008 . 1 . . . . . 105 LEU N . 27094 1 139 . 1 . 1 31 31 ARG H H 1 8.406 0.003 . 1 . . . . . 106 ARG H . 27094 1 140 . 1 . 1 31 31 ARG C C 13 178.440 0.000 . 1 . . . . . 106 ARG C . 27094 1 141 . 1 . 1 31 31 ARG CA C 13 59.851 0.017 . 1 . . . . . 106 ARG CA . 27094 1 142 . 1 . 1 31 31 ARG CB C 13 30.189 0.013 . 1 . . . . . 106 ARG CB . 27094 1 143 . 1 . 1 31 31 ARG N N 15 117.512 0.017 . 1 . . . . . 106 ARG N . 27094 1 144 . 1 . 1 32 32 HIS H H 1 7.810 0.003 . 1 . . . . . 107 HIS H . 27094 1 145 . 1 . 1 32 32 HIS C C 13 177.726 0.000 . 1 . . . . . 107 HIS C . 27094 1 146 . 1 . 1 32 32 HIS CA C 13 60.500 0.025 . 1 . . . . . 107 HIS CA . 27094 1 147 . 1 . 1 32 32 HIS CB C 13 29.982 0.059 . 1 . . . . . 107 HIS CB . 27094 1 148 . 1 . 1 32 32 HIS N N 15 118.847 0.020 . 1 . . . . . 107 HIS N . 27094 1 149 . 1 . 1 33 33 VAL H H 1 8.608 0.001 . 1 . . . . . 108 VAL H . 27094 1 150 . 1 . 1 33 33 VAL C C 13 177.696 0.000 . 1 . . . . . 108 VAL C . 27094 1 151 . 1 . 1 33 33 VAL CA C 13 66.473 0.029 . 1 . . . . . 108 VAL CA . 27094 1 152 . 1 . 1 33 33 VAL CB C 13 31.943 0.016 . 1 . . . . . 108 VAL CB . 27094 1 153 . 1 . 1 33 33 VAL N N 15 117.951 0.010 . 1 . . . . . 108 VAL N . 27094 1 154 . 1 . 1 34 34 MET H H 1 8.183 0.001 . 1 . . . . . 109 MET H . 27094 1 155 . 1 . 1 34 34 MET C C 13 178.220 0.000 . 1 . . . . . 109 MET C . 27094 1 156 . 1 . 1 34 34 MET CA C 13 56.406 0.015 . 1 . . . . . 109 MET CA . 27094 1 157 . 1 . 1 34 34 MET CB C 13 36.750 0.052 . 1 . . . . . 109 MET CB . 27094 1 158 . 1 . 1 34 34 MET N N 15 112.306 0.007 . 1 . . . . . 109 MET N . 27094 1 159 . 1 . 1 35 35 THR H H 1 7.483 0.002 . 1 . . . . . 110 THR H . 27094 1 160 . 1 . 1 35 35 THR C C 13 174.930 0.000 . 1 . . . . . 110 THR C . 27094 1 161 . 1 . 1 35 35 THR CA C 13 61.881 0.027 . 1 . . . . . 110 THR CA . 27094 1 162 . 1 . 1 35 35 THR CB C 13 70.847 0.048 . 1 . . . . . 110 THR CB . 27094 1 163 . 1 . 1 35 35 THR N N 15 103.899 0.008 . 1 . . . . . 110 THR N . 27094 1 164 . 1 . 1 36 36 ASN H H 1 7.440 0.002 . 1 . . . . . 111 ASN H . 27094 1 165 . 1 . 1 36 36 ASN C C 13 173.598 0.000 . 1 . . . . . 111 ASN C . 27094 1 166 . 1 . 1 36 36 ASN CA C 13 54.756 0.032 . 1 . . . . . 111 ASN CA . 27094 1 167 . 1 . 1 36 36 ASN CB C 13 41.222 0.039 . 1 . . . . . 111 ASN CB . 27094 1 168 . 1 . 1 36 36 ASN N N 15 116.561 0.013 . 1 . . . . . 111 ASN N . 27094 1 169 . 1 . 1 37 37 LEU H H 1 7.665 0.001 . 1 . . . . . 112 LEU H . 27094 1 170 . 1 . 1 37 37 LEU C C 13 176.619 0.000 . 1 . . . . . 112 LEU C . 27094 1 171 . 1 . 1 37 37 LEU CA C 13 53.580 0.022 . 1 . . . . . 112 LEU CA . 27094 1 172 . 1 . 1 37 37 LEU CB C 13 45.722 0.031 . 1 . . . . . 112 LEU CB . 27094 1 173 . 1 . 1 37 37 LEU N N 15 120.010 0.009 . 1 . . . . . 112 LEU N . 27094 1 174 . 1 . 1 38 38 GLY H H 1 9.024 0.001 . 1 . . . . . 113 GLY H . 27094 1 175 . 1 . 1 38 38 GLY C C 13 175.891 0.000 . 1 . . . . . 113 GLY C . 27094 1 176 . 1 . 1 38 38 GLY CA C 13 47.183 0.020 . 1 . . . . . 113 GLY CA . 27094 1 177 . 1 . 1 38 38 GLY N N 15 106.204 0.010 . 1 . . . . . 113 GLY N . 27094 1 178 . 1 . 1 39 39 GLU H H 1 9.317 0.001 . 1 . . . . . 114 GLU H . 27094 1 179 . 1 . 1 39 39 GLU C C 13 175.428 0.000 . 1 . . . . . 114 GLU C . 27094 1 180 . 1 . 1 39 39 GLU CA C 13 54.876 0.018 . 1 . . . . . 114 GLU CA . 27094 1 181 . 1 . 1 39 39 GLU CB C 13 26.698 0.063 . 1 . . . . . 114 GLU CB . 27094 1 182 . 1 . 1 39 39 GLU N N 15 129.910 0.023 . 1 . . . . . 114 GLU N . 27094 1 183 . 1 . 1 40 40 LYS H H 1 6.831 0.001 . 1 . . . . . 115 LYS H . 27094 1 184 . 1 . 1 40 40 LYS C C 13 177.810 0.000 . 1 . . . . . 115 LYS C . 27094 1 185 . 1 . 1 40 40 LYS CA C 13 57.788 0.063 . 1 . . . . . 115 LYS CA . 27094 1 186 . 1 . 1 40 40 LYS CB C 13 33.678 0.014 . 1 . . . . . 115 LYS CB . 27094 1 187 . 1 . 1 40 40 LYS N N 15 115.895 0.007 . 1 . . . . . 115 LYS N . 27094 1 188 . 1 . 1 41 41 LEU H H 1 8.460 0.002 . 1 . . . . . 116 LEU H . 27094 1 189 . 1 . 1 41 41 LEU C C 13 177.494 0.000 . 1 . . . . . 116 LEU C . 27094 1 190 . 1 . 1 41 41 LEU CA C 13 54.332 0.027 . 1 . . . . . 116 LEU CA . 27094 1 191 . 1 . 1 41 41 LEU CB C 13 42.223 0.047 . 1 . . . . . 116 LEU CB . 27094 1 192 . 1 . 1 41 41 LEU N N 15 122.515 0.023 . 1 . . . . . 116 LEU N . 27094 1 193 . 1 . 1 42 42 THR H H 1 9.311 0.002 . 1 . . . . . 117 THR H . 27094 1 194 . 1 . 1 42 42 THR C C 13 175.387 0.000 . 1 . . . . . 117 THR C . 27094 1 195 . 1 . 1 42 42 THR CA C 13 60.699 0.046 . 1 . . . . . 117 THR CA . 27094 1 196 . 1 . 1 42 42 THR CB C 13 71.186 0.033 . 1 . . . . . 117 THR CB . 27094 1 197 . 1 . 1 42 42 THR N N 15 112.021 0.010 . 1 . . . . . 117 THR N . 27094 1 198 . 1 . 1 43 43 ASP H H 1 8.752 0.001 . 1 . . . . . 118 ASP H . 27094 1 199 . 1 . 1 43 43 ASP C C 13 177.752 0.000 . 1 . . . . . 118 ASP C . 27094 1 200 . 1 . 1 43 43 ASP CA C 13 57.868 0.055 . 1 . . . . . 118 ASP CA . 27094 1 201 . 1 . 1 43 43 ASP CB C 13 40.306 0.056 . 1 . . . . . 118 ASP CB . 27094 1 202 . 1 . 1 43 43 ASP N N 15 120.521 0.009 . 1 . . . . . 118 ASP N . 27094 1 203 . 1 . 1 44 44 GLU H H 1 8.413 0.003 . 1 . . . . . 119 GLU H . 27094 1 204 . 1 . 1 44 44 GLU C C 13 180.096 0.000 . 1 . . . . . 119 GLU C . 27094 1 205 . 1 . 1 44 44 GLU CA C 13 59.905 0.107 . 1 . . . . . 119 GLU CA . 27094 1 206 . 1 . 1 44 44 GLU CB C 13 29.557 0.032 . 1 . . . . . 119 GLU CB . 27094 1 207 . 1 . 1 44 44 GLU N N 15 117.492 0.017 . 1 . . . . . 119 GLU N . 27094 1 208 . 1 . 1 45 45 GLU H H 1 7.848 0.001 . 1 . . . . . 120 GLU H . 27094 1 209 . 1 . 1 45 45 GLU C C 13 179.178 0.000 . 1 . . . . . 120 GLU C . 27094 1 210 . 1 . 1 45 45 GLU CA C 13 59.255 0.042 . 1 . . . . . 120 GLU CA . 27094 1 211 . 1 . 1 45 45 GLU CB C 13 31.973 0.065 . 1 . . . . . 120 GLU CB . 27094 1 212 . 1 . 1 45 45 GLU N N 15 119.696 0.009 . 1 . . . . . 120 GLU N . 27094 1 213 . 1 . 1 46 46 VAL H H 1 8.710 0.002 . 1 . . . . . 121 VAL H . 27094 1 214 . 1 . 1 46 46 VAL C C 13 176.345 0.000 . 1 . . . . . 121 VAL C . 27094 1 215 . 1 . 1 46 46 VAL CA C 13 64.893 0.013 . 1 . . . . . 121 VAL CA . 27094 1 216 . 1 . 1 46 46 VAL CB C 13 31.248 0.080 . 1 . . . . . 121 VAL CB . 27094 1 217 . 1 . 1 46 46 VAL N N 15 119.248 0.016 . 1 . . . . . 121 VAL N . 27094 1 218 . 1 . 1 47 47 ASP H H 1 8.351 0.002 . 1 . . . . . 122 ASP H . 27094 1 219 . 1 . 1 47 47 ASP C C 13 179.452 0.000 . 1 . . . . . 122 ASP C . 27094 1 220 . 1 . 1 47 47 ASP CA C 13 57.511 0.023 . 1 . . . . . 122 ASP CA . 27094 1 221 . 1 . 1 47 47 ASP CB C 13 39.953 0.024 . 1 . . . . . 122 ASP CB . 27094 1 222 . 1 . 1 47 47 ASP N N 15 123.035 0.020 . 1 . . . . . 122 ASP N . 27094 1 223 . 1 . 1 48 48 GLU H H 1 7.395 0.001 . 1 . . . . . 123 GLU H . 27094 1 224 . 1 . 1 48 48 GLU C C 13 177.472 0.000 . 1 . . . . . 123 GLU C . 27094 1 225 . 1 . 1 48 48 GLU CA C 13 58.924 0.035 . 1 . . . . . 123 GLU CA . 27094 1 226 . 1 . 1 48 48 GLU CB C 13 28.769 0.056 . 1 . . . . . 123 GLU CB . 27094 1 227 . 1 . 1 48 48 GLU N N 15 120.264 0.008 . 1 . . . . . 123 GLU N . 27094 1 228 . 1 . 1 49 49 MET H H 1 7.998 0.002 . 1 . . . . . 124 MET H . 27094 1 229 . 1 . 1 49 49 MET C C 13 177.724 0.000 . 1 . . . . . 124 MET C . 27094 1 230 . 1 . 1 49 49 MET CA C 13 60.021 0.039 . 1 . . . . . 124 MET CA . 27094 1 231 . 1 . 1 49 49 MET CB C 13 33.664 0.044 . 1 . . . . . 124 MET CB . 27094 1 232 . 1 . 1 49 49 MET N N 15 121.954 0.006 . 1 . . . . . 124 MET N . 27094 1 233 . 1 . 1 50 50 ILE H H 1 8.290 0.003 . 1 . . . . . 125 ILE H . 27094 1 234 . 1 . 1 50 50 ILE C C 13 177.628 0.000 . 1 . . . . . 125 ILE C . 27094 1 235 . 1 . 1 50 50 ILE CA C 13 63.028 0.036 . 1 . . . . . 125 ILE CA . 27094 1 236 . 1 . 1 50 50 ILE CB C 13 36.307 0.053 . 1 . . . . . 125 ILE CB . 27094 1 237 . 1 . 1 50 50 ILE N N 15 115.590 0.011 . 1 . . . . . 125 ILE N . 27094 1 238 . 1 . 1 51 51 ARG H H 1 7.782 0.001 . 1 . . . . . 126 ARG H . 27094 1 239 . 1 . 1 51 51 ARG C C 13 178.481 0.000 . 1 . . . . . 126 ARG C . 27094 1 240 . 1 . 1 51 51 ARG CA C 13 59.337 0.062 . 1 . . . . . 126 ARG CA . 27094 1 241 . 1 . 1 51 51 ARG CB C 13 30.229 0.089 . 1 . . . . . 126 ARG CB . 27094 1 242 . 1 . 1 51 51 ARG N N 15 119.976 0.010 . 1 . . . . . 126 ARG N . 27094 1 243 . 1 . 1 52 52 GLU H H 1 7.823 0.002 . 1 . . . . . 127 GLU H . 27094 1 244 . 1 . 1 52 52 GLU C C 13 176.762 0.000 . 1 . . . . . 127 GLU C . 27094 1 245 . 1 . 1 52 52 GLU CA C 13 58.052 0.036 . 1 . . . . . 127 GLU CA . 27094 1 246 . 1 . 1 52 52 GLU CB C 13 30.348 0.028 . 1 . . . . . 127 GLU CB . 27094 1 247 . 1 . 1 52 52 GLU N N 15 115.589 0.013 . 1 . . . . . 127 GLU N . 27094 1 248 . 1 . 1 53 53 ALA H H 1 7.985 0.003 . 1 . . . . . 128 ALA H . 27094 1 249 . 1 . 1 53 53 ALA C C 13 177.103 0.000 . 1 . . . . . 128 ALA C . 27094 1 250 . 1 . 1 53 53 ALA CA C 13 52.699 0.029 . 1 . . . . . 128 ALA CA . 27094 1 251 . 1 . 1 53 53 ALA CB C 13 19.500 0.024 . 1 . . . . . 128 ALA CB . 27094 1 252 . 1 . 1 53 53 ALA N N 15 120.103 0.025 . 1 . . . . . 128 ALA N . 27094 1 253 . 1 . 1 54 54 ASP H H 1 8.365 0.002 . 1 . . . . . 129 ASP H . 27094 1 254 . 1 . 1 54 54 ASP C C 13 176.180 0.000 . 1 . . . . . 129 ASP C . 27094 1 255 . 1 . 1 54 54 ASP CA C 13 52.861 0.000 . 1 . . . . . 129 ASP CA . 27094 1 256 . 1 . 1 54 54 ASP CB C 13 39.835 0.000 . 1 . . . . . 129 ASP CB . 27094 1 257 . 1 . 1 54 54 ASP N N 15 119.263 0.011 . 1 . . . . . 129 ASP N . 27094 1 258 . 1 . 1 55 55 ILE H H 1 7.835 0.006 . 1 . . . . . 130 ILE H . 27094 1 259 . 1 . 1 55 55 ILE N N 15 122.481 0.013 . 1 . . . . . 130 ILE N . 27094 1 260 . 1 . 1 56 56 ASP C C 13 177.693 0.000 . 1 . . . . . 131 ASP C . 27094 1 261 . 1 . 1 56 56 ASP CA C 13 53.927 0.000 . 1 . . . . . 131 ASP CA . 27094 1 262 . 1 . 1 56 56 ASP CB C 13 41.243 0.000 . 1 . . . . . 131 ASP CB . 27094 1 263 . 1 . 1 57 57 GLY H H 1 8.214 0.004 . 1 . . . . . 132 GLY H . 27094 1 264 . 1 . 1 57 57 GLY C C 13 174.729 0.000 . 1 . . . . . 132 GLY C . 27094 1 265 . 1 . 1 57 57 GLY CA C 13 46.743 0.032 . 1 . . . . . 132 GLY CA . 27094 1 266 . 1 . 1 57 57 GLY N N 15 108.333 0.005 . 1 . . . . . 132 GLY N . 27094 1 267 . 1 . 1 58 58 ASP H H 1 8.391 0.002 . 1 . . . . . 133 ASP H . 27094 1 268 . 1 . 1 58 58 ASP CA C 13 53.589 0.000 . 1 . . . . . 133 ASP CA . 27094 1 269 . 1 . 1 58 58 ASP CB C 13 41.560 0.000 . 1 . . . . . 133 ASP CB . 27094 1 270 . 1 . 1 58 58 ASP N N 15 119.532 0.009 . 1 . . . . . 133 ASP N . 27094 1 271 . 1 . 1 59 59 GLY C C 13 174.296 0.000 . 1 . . . . . 134 GLY C . 27094 1 272 . 1 . 1 59 59 GLY CA C 13 46.070 0.012 . 1 . . . . . 134 GLY CA . 27094 1 273 . 1 . 1 60 60 GLN H H 1 8.311 0.004 . 1 . . . . . 135 GLN H . 27094 1 274 . 1 . 1 60 60 GLN C C 13 174.401 0.000 . 1 . . . . . 135 GLN C . 27094 1 275 . 1 . 1 60 60 GLN CA C 13 54.625 0.012 . 1 . . . . . 135 GLN CA . 27094 1 276 . 1 . 1 60 60 GLN CB C 13 30.536 0.019 . 1 . . . . . 135 GLN CB . 27094 1 277 . 1 . 1 60 60 GLN N N 15 120.657 0.008 . 1 . . . . . 135 GLN N . 27094 1 278 . 1 . 1 61 61 VAL H H 1 9.103 0.009 . 1 . . . . . 136 VAL H . 27094 1 279 . 1 . 1 61 61 VAL C C 13 174.936 0.000 . 1 . . . . . 136 VAL C . 27094 1 280 . 1 . 1 61 61 VAL CA C 13 61.524 0.024 . 1 . . . . . 136 VAL CA . 27094 1 281 . 1 . 1 61 61 VAL CB C 13 33.356 0.000 . 1 . . . . . 136 VAL CB . 27094 1 282 . 1 . 1 61 61 VAL N N 15 120.937 0.012 . 1 . . . . . 136 VAL N . 27094 1 283 . 1 . 1 62 62 ASN H H 1 9.038 0.002 . 1 . . . . . 137 ASN H . 27094 1 284 . 1 . 1 62 62 ASN C C 13 175.963 0.000 . 1 . . . . . 137 ASN C . 27094 1 285 . 1 . 1 62 62 ASN CA C 13 51.885 0.052 . 1 . . . . . 137 ASN CA . 27094 1 286 . 1 . 1 62 62 ASN CB C 13 37.222 0.040 . 1 . . . . . 137 ASN CB . 27094 1 287 . 1 . 1 62 62 ASN N N 15 126.833 0.009 . 1 . . . . . 137 ASN N . 27094 1 288 . 1 . 1 63 63 TYR H H 1 7.222 0.001 . 1 . . . . . 138 TYR H . 27094 1 289 . 1 . 1 63 63 TYR C C 13 176.359 0.000 . 1 . . . . . 138 TYR C . 27094 1 290 . 1 . 1 63 63 TYR CA C 13 59.227 0.008 . 1 . . . . . 138 TYR CA . 27094 1 291 . 1 . 1 63 63 TYR CB C 13 36.917 0.107 . 1 . . . . . 138 TYR CB . 27094 1 292 . 1 . 1 63 63 TYR N N 15 122.607 0.011 . 1 . . . . . 138 TYR N . 27094 1 293 . 1 . 1 64 64 GLU H H 1 8.204 0.001 . 1 . . . . . 139 GLU H . 27094 1 294 . 1 . 1 64 64 GLU C C 13 178.979 0.000 . 1 . . . . . 139 GLU C . 27094 1 295 . 1 . 1 64 64 GLU CA C 13 59.582 0.007 . 1 . . . . . 139 GLU CA . 27094 1 296 . 1 . 1 64 64 GLU CB C 13 28.249 0.028 . 1 . . . . . 139 GLU CB . 27094 1 297 . 1 . 1 64 64 GLU N N 15 126.491 0.011 . 1 . . . . . 139 GLU N . 27094 1 298 . 1 . 1 65 65 GLU H H 1 7.346 0.002 . 1 . . . . . 140 GLU H . 27094 1 299 . 1 . 1 65 65 GLU C C 13 179.292 0.000 . 1 . . . . . 140 GLU C . 27094 1 300 . 1 . 1 65 65 GLU CA C 13 58.880 0.033 . 1 . . . . . 140 GLU CA . 27094 1 301 . 1 . 1 65 65 GLU CB C 13 29.132 0.037 . 1 . . . . . 140 GLU CB . 27094 1 302 . 1 . 1 65 65 GLU N N 15 117.520 0.006 . 1 . . . . . 140 GLU N . 27094 1 303 . 1 . 1 66 66 PHE H H 1 7.344 0.004 . 1 . . . . . 141 PHE H . 27094 1 304 . 1 . 1 66 66 PHE C C 13 177.477 0.000 . 1 . . . . . 141 PHE C . 27094 1 305 . 1 . 1 66 66 PHE CA C 13 60.012 0.012 . 1 . . . . . 141 PHE CA . 27094 1 306 . 1 . 1 66 66 PHE CB C 13 39.280 0.034 . 1 . . . . . 141 PHE CB . 27094 1 307 . 1 . 1 66 66 PHE N N 15 120.023 0.011 . 1 . . . . . 141 PHE N . 27094 1 308 . 1 . 1 67 67 VAL H H 1 8.436 0.004 . 1 . . . . . 142 VAL H . 27094 1 309 . 1 . 1 67 67 VAL C C 13 178.814 0.000 . 1 . . . . . 142 VAL C . 27094 1 310 . 1 . 1 67 67 VAL CA C 13 67.447 0.000 . 1 . . . . . 142 VAL CA . 27094 1 311 . 1 . 1 67 67 VAL CB C 13 31.476 0.000 . 1 . . . . . 142 VAL CB . 27094 1 312 . 1 . 1 67 67 VAL N N 15 119.379 0.003 . 1 . . . . . 142 VAL N . 27094 1 313 . 1 . 1 68 68 GLN H H 1 7.819 0.002 . 1 . . . . . 143 GLN H . 27094 1 314 . 1 . 1 68 68 GLN C C 13 178.049 0.000 . 1 . . . . . 143 GLN C . 27094 1 315 . 1 . 1 68 68 GLN CA C 13 58.780 0.004 . 1 . . . . . 143 GLN CA . 27094 1 316 . 1 . 1 68 68 GLN CB C 13 27.973 0.058 . 1 . . . . . 143 GLN CB . 27094 1 317 . 1 . 1 68 68 GLN N N 15 118.441 0.015 . 1 . . . . . 143 GLN N . 27094 1 318 . 1 . 1 69 69 MET H H 1 7.771 0.001 . 1 . . . . . 144 MET H . 27094 1 319 . 1 . 1 69 69 MET C C 13 178.375 0.000 . 1 . . . . . 144 MET C . 27094 1 320 . 1 . 1 69 69 MET CA C 13 58.975 0.009 . 1 . . . . . 144 MET CA . 27094 1 321 . 1 . 1 69 69 MET CB C 13 32.849 0.074 . 1 . . . . . 144 MET CB . 27094 1 322 . 1 . 1 69 69 MET N N 15 119.152 0.004 . 1 . . . . . 144 MET N . 27094 1 323 . 1 . 1 70 70 MET H H 1 7.850 0.001 . 1 . . . . . 145 MET H . 27094 1 324 . 1 . 1 70 70 MET C C 13 177.222 0.000 . 1 . . . . . 145 MET C . 27094 1 325 . 1 . 1 70 70 MET CA C 13 58.520 0.027 . 1 . . . . . 145 MET CA . 27094 1 326 . 1 . 1 70 70 MET CB C 13 34.722 0.031 . 1 . . . . . 145 MET CB . 27094 1 327 . 1 . 1 70 70 MET N N 15 114.106 0.009 . 1 . . . . . 145 MET N . 27094 1 328 . 1 . 1 71 71 THR H H 1 7.574 0.002 . 1 . . . . . 146 THR H . 27094 1 329 . 1 . 1 71 71 THR C C 13 174.417 0.000 . 1 . . . . . 146 THR C . 27094 1 330 . 1 . 1 71 71 THR CA C 13 61.854 0.016 . 1 . . . . . 146 THR CA . 27094 1 331 . 1 . 1 71 71 THR CB C 13 69.955 0.034 . 1 . . . . . 146 THR CB . 27094 1 332 . 1 . 1 71 71 THR N N 15 108.080 0.007 . 1 . . . . . 146 THR N . 27094 1 333 . 1 . 1 72 72 ALA H H 1 7.432 0.003 . 1 . . . . . 147 ALA H . 27094 1 334 . 1 . 1 72 72 ALA C C 13 177.243 0.000 . 1 . . . . . 147 ALA C . 27094 1 335 . 1 . 1 72 72 ALA CA C 13 53.365 0.018 . 1 . . . . . 147 ALA CA . 27094 1 336 . 1 . 1 72 72 ALA CB C 13 19.236 0.034 . 1 . . . . . 147 ALA CB . 27094 1 337 . 1 . 1 72 72 ALA N N 15 126.348 0.018 . 1 . . . . . 147 ALA N . 27094 1 338 . 1 . 1 73 73 LYS H H 1 8.075 0.000 . 1 . . . . . 148 LYS H . 27094 1 339 . 1 . 1 73 73 LYS CA C 13 57.934 0.000 . 1 . . . . . 148 LYS CA . 27094 1 340 . 1 . 1 73 73 LYS N N 15 126.190 0.005 . 1 . . . . . 148 LYS N . 27094 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 27094 _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 1 '2D 1H-15N HSQC' . . . 27094 2 2 '3D HNCACB' . . . 27094 2 3 '3D CBCA(CO)NH' . . . 27094 2 4 '3D HNCO' . . . 27094 2 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 3 $Analysis . . 27094 2 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 . 2 . 2 3 3 GLY H H 1 8.655 0.006 . 1 . . . . . -2 GLY H . 27094 2 2 . 2 . 2 3 3 GLY C C 13 174.527 0.000 . 1 . . . . . -2 GLY C . 27094 2 3 . 2 . 2 3 3 GLY CA C 13 45.390 0.023 . 1 . . . . . -2 GLY CA . 27094 2 4 . 2 . 2 3 3 GLY N N 15 109.629 0.010 . 1 . . . . . -2 GLY N . 27094 2 5 . 2 . 2 4 4 SER H H 1 8.192 0.001 . 1 . . . . . -1 SER H . 27094 2 6 . 2 . 2 4 4 SER C C 13 175.245 0.000 . 1 . . . . . -1 SER C . 27094 2 7 . 2 . 2 4 4 SER CA C 13 58.931 0.062 . 1 . . . . . -1 SER CA . 27094 2 8 . 2 . 2 4 4 SER CB C 13 63.724 0.076 . 1 . . . . . -1 SER CB . 27094 2 9 . 2 . 2 4 4 SER N N 15 115.974 0.007 . 1 . . . . . -1 SER N . 27094 2 10 . 2 . 2 5 5 LYS H H 1 8.472 0.001 . 1 . . . . . 1901 LYS H . 27094 2 11 . 2 . 2 5 5 LYS C C 13 177.192 0.000 . 1 . . . . . 1901 LYS C . 27094 2 12 . 2 . 2 5 5 LYS CA C 13 57.479 0.017 . 1 . . . . . 1901 LYS CA . 27094 2 13 . 2 . 2 5 5 LYS CB C 13 32.537 0.034 . 1 . . . . . 1901 LYS CB . 27094 2 14 . 2 . 2 5 5 LYS N N 15 124.240 0.011 . 1 . . . . . 1901 LYS N . 27094 2 15 . 2 . 2 6 6 ARG H H 1 8.176 0.001 . 1 . . . . . 1902 ARG H . 27094 2 16 . 2 . 2 6 6 ARG C C 13 177.763 0.000 . 1 . . . . . 1902 ARG C . 27094 2 17 . 2 . 2 6 6 ARG CA C 13 57.446 0.029 . 1 . . . . . 1902 ARG CA . 27094 2 18 . 2 . 2 6 6 ARG CB C 13 30.258 0.068 . 1 . . . . . 1902 ARG CB . 27094 2 19 . 2 . 2 6 6 ARG N N 15 120.545 0.003 . 1 . . . . . 1902 ARG N . 27094 2 20 . 2 . 2 7 7 LYS H H 1 8.232 0.003 . 1 . . . . . 1903 LYS H . 27094 2 21 . 2 . 2 7 7 LYS C C 13 177.999 0.000 . 1 . . . . . 1903 LYS C . 27094 2 22 . 2 . 2 7 7 LYS CA C 13 58.127 0.019 . 1 . . . . . 1903 LYS CA . 27094 2 23 . 2 . 2 7 7 LYS CB C 13 32.246 0.063 . 1 . . . . . 1903 LYS CB . 27094 2 24 . 2 . 2 7 7 LYS N N 15 120.968 0.014 . 1 . . . . . 1903 LYS N . 27094 2 25 . 2 . 2 8 8 GLN H H 1 8.261 0.001 . 1 . . . . . 1904 GLN H . 27094 2 26 . 2 . 2 8 8 GLN C C 13 178.916 0.000 . 1 . . . . . 1904 GLN C . 27094 2 27 . 2 . 2 8 8 GLN CA C 13 58.245 0.021 . 1 . . . . . 1904 GLN CA . 27094 2 28 . 2 . 2 8 8 GLN CB C 13 28.619 0.036 . 1 . . . . . 1904 GLN CB . 27094 2 29 . 2 . 2 8 8 GLN N N 15 119.418 0.008 . 1 . . . . . 1904 GLN N . 27094 2 30 . 2 . 2 9 9 GLU H H 1 8.734 0.003 . 1 . . . . . 1905 GLU H . 27094 2 31 . 2 . 2 9 9 GLU C C 13 177.585 0.000 . 1 . . . . . 1905 GLU C . 27094 2 32 . 2 . 2 9 9 GLU CA C 13 60.404 0.020 . 1 . . . . . 1905 GLU CA . 27094 2 33 . 2 . 2 9 9 GLU CB C 13 29.248 0.001 . 1 . . . . . 1905 GLU CB . 27094 2 34 . 2 . 2 9 9 GLU N N 15 120.936 0.007 . 1 . . . . . 1905 GLU N . 27094 2 35 . 2 . 2 10 10 GLU H H 1 8.017 0.001 . 1 . . . . . 1906 GLU H . 27094 2 36 . 2 . 2 10 10 GLU C C 13 177.473 0.000 . 1 . . . . . 1906 GLU C . 27094 2 37 . 2 . 2 10 10 GLU CA C 13 60.567 0.013 . 1 . . . . . 1906 GLU CA . 27094 2 38 . 2 . 2 10 10 GLU CB C 13 29.889 0.057 . 1 . . . . . 1906 GLU CB . 27094 2 39 . 2 . 2 10 10 GLU N N 15 119.269 0.006 . 1 . . . . . 1906 GLU N . 27094 2 40 . 2 . 2 11 11 VAL H H 1 7.836 0.002 . 1 . . . . . 1907 VAL H . 27094 2 41 . 2 . 2 11 11 VAL C C 13 178.728 0.000 . 1 . . . . . 1907 VAL C . 27094 2 42 . 2 . 2 11 11 VAL CA C 13 66.204 0.012 . 1 . . . . . 1907 VAL CA . 27094 2 43 . 2 . 2 11 11 VAL CB C 13 32.057 0.062 . 1 . . . . . 1907 VAL CB . 27094 2 44 . 2 . 2 11 11 VAL N N 15 116.344 0.008 . 1 . . . . . 1907 VAL N . 27094 2 45 . 2 . 2 12 12 SER H H 1 7.947 0.001 . 1 . . . . . 1908 SER H . 27094 2 46 . 2 . 2 12 12 SER C C 13 174.849 0.000 . 1 . . . . . 1908 SER C . 27094 2 47 . 2 . 2 12 12 SER CA C 13 62.953 0.081 . 1 . . . . . 1908 SER CA . 27094 2 48 . 2 . 2 12 12 SER N N 15 115.985 0.012 . 1 . . . . . 1908 SER N . 27094 2 49 . 2 . 2 13 13 ALA H H 1 8.416 0.000 . 1 . . . . . 1909 ALA H . 27094 2 50 . 2 . 2 13 13 ALA C C 13 178.051 0.000 . 1 . . . . . 1909 ALA C . 27094 2 51 . 2 . 2 13 13 ALA CA C 13 56.116 0.009 . 1 . . . . . 1909 ALA CA . 27094 2 52 . 2 . 2 13 13 ALA CB C 13 17.714 0.035 . 1 . . . . . 1909 ALA CB . 27094 2 53 . 2 . 2 13 13 ALA N N 15 123.431 0.008 . 1 . . . . . 1909 ALA N . 27094 2 54 . 2 . 2 14 14 ILE H H 1 7.681 0.001 . 1 . . . . . 1910 ILE H . 27094 2 55 . 2 . 2 14 14 ILE C C 13 178.222 0.000 . 1 . . . . . 1910 ILE C . 27094 2 56 . 2 . 2 14 14 ILE CA C 13 65.095 0.035 . 1 . . . . . 1910 ILE CA . 27094 2 57 . 2 . 2 14 14 ILE CB C 13 38.155 0.026 . 1 . . . . . 1910 ILE CB . 27094 2 58 . 2 . 2 14 14 ILE N N 15 117.145 0.010 . 1 . . . . . 1910 ILE N . 27094 2 59 . 2 . 2 15 15 ILE H H 1 7.664 0.001 . 1 . . . . . 1911 ILE H . 27094 2 60 . 2 . 2 15 15 ILE C C 13 179.286 0.000 . 1 . . . . . 1911 ILE C . 27094 2 61 . 2 . 2 15 15 ILE CA C 13 65.522 0.000 . 1 . . . . . 1911 ILE CA . 27094 2 62 . 2 . 2 15 15 ILE CB C 13 38.159 0.011 . 1 . . . . . 1911 ILE CB . 27094 2 63 . 2 . 2 15 15 ILE N N 15 119.908 0.022 . 1 . . . . . 1911 ILE N . 27094 2 64 . 2 . 2 16 16 ILE H H 1 7.451 0.001 . 1 . . . . . 1912 ILE H . 27094 2 65 . 2 . 2 16 16 ILE C C 13 177.262 0.000 . 1 . . . . . 1912 ILE C . 27094 2 66 . 2 . 2 16 16 ILE CA C 13 66.207 0.021 . 1 . . . . . 1912 ILE CA . 27094 2 67 . 2 . 2 16 16 ILE CB C 13 38.809 0.019 . 1 . . . . . 1912 ILE CB . 27094 2 68 . 2 . 2 16 16 ILE N N 15 119.973 0.009 . 1 . . . . . 1912 ILE N . 27094 2 69 . 2 . 2 17 17 GLN H H 1 9.123 0.001 . 1 . . . . . 1913 GLN H . 27094 2 70 . 2 . 2 17 17 GLN C C 13 179.072 0.000 . 1 . . . . . 1913 GLN C . 27094 2 71 . 2 . 2 17 17 GLN CA C 13 60.227 0.023 . 1 . . . . . 1913 GLN CA . 27094 2 72 . 2 . 2 17 17 GLN CB C 13 26.899 0.041 . 1 . . . . . 1913 GLN CB . 27094 2 73 . 2 . 2 17 17 GLN N N 15 120.443 0.016 . 1 . . . . . 1913 GLN N . 27094 2 74 . 2 . 2 18 18 ARG H H 1 9.085 0.001 . 1 . . . . . 1914 ARG H . 27094 2 75 . 2 . 2 18 18 ARG C C 13 180.125 0.000 . 1 . . . . . 1914 ARG C . 27094 2 76 . 2 . 2 18 18 ARG CA C 13 60.040 0.035 . 1 . . . . . 1914 ARG CA . 27094 2 77 . 2 . 2 18 18 ARG CB C 13 30.252 0.056 . 1 . . . . . 1914 ARG CB . 27094 2 78 . 2 . 2 18 18 ARG N N 15 116.952 0.017 . 1 . . . . . 1914 ARG N . 27094 2 79 . 2 . 2 19 19 ALA H H 1 7.990 0.001 . 1 . . . . . 1915 ALA H . 27094 2 80 . 2 . 2 19 19 ALA C C 13 180.484 0.000 . 1 . . . . . 1915 ALA C . 27094 2 81 . 2 . 2 19 19 ALA CA C 13 55.291 0.013 . 1 . . . . . 1915 ALA CA . 27094 2 82 . 2 . 2 19 19 ALA CB C 13 18.649 0.042 . 1 . . . . . 1915 ALA CB . 27094 2 83 . 2 . 2 19 19 ALA N N 15 122.815 0.008 . 1 . . . . . 1915 ALA N . 27094 2 84 . 2 . 2 20 20 TYR H H 1 9.345 0.001 . 1 . . . . . 1916 TYR H . 27094 2 85 . 2 . 2 20 20 TYR C C 13 177.425 0.000 . 1 . . . . . 1916 TYR C . 27094 2 86 . 2 . 2 20 20 TYR CA C 13 62.075 0.028 . 1 . . . . . 1916 TYR CA . 27094 2 87 . 2 . 2 20 20 TYR CB C 13 38.357 0.037 . 1 . . . . . 1916 TYR CB . 27094 2 88 . 2 . 2 20 20 TYR N N 15 122.273 0.010 . 1 . . . . . 1916 TYR N . 27094 2 89 . 2 . 2 21 21 ARG H H 1 8.656 0.001 . 1 . . . . . 1917 ARG H . 27094 2 90 . 2 . 2 21 21 ARG C C 13 179.507 0.000 . 1 . . . . . 1917 ARG C . 27094 2 91 . 2 . 2 21 21 ARG CA C 13 61.184 0.030 . 1 . . . . . 1917 ARG CA . 27094 2 92 . 2 . 2 21 21 ARG CB C 13 29.681 0.045 . 1 . . . . . 1917 ARG CB . 27094 2 93 . 2 . 2 21 21 ARG N N 15 118.202 0.025 . 1 . . . . . 1917 ARG N . 27094 2 94 . 2 . 2 22 22 ARG H H 1 7.924 0.001 . 1 . . . . . 1918 ARG H . 27094 2 95 . 2 . 2 22 22 ARG C C 13 178.619 0.000 . 1 . . . . . 1918 ARG C . 27094 2 96 . 2 . 2 22 22 ARG CA C 13 59.979 0.013 . 1 . . . . . 1918 ARG CA . 27094 2 97 . 2 . 2 22 22 ARG CB C 13 30.313 0.065 . 1 . . . . . 1918 ARG CB . 27094 2 98 . 2 . 2 22 22 ARG N N 15 119.453 0.004 . 1 . . . . . 1918 ARG N . 27094 2 99 . 2 . 2 23 23 TYR H H 1 7.883 0.001 . 1 . . . . . 1919 TYR H . 27094 2 100 . 2 . 2 23 23 TYR C C 13 177.450 0.000 . 1 . . . . . 1919 TYR C . 27094 2 101 . 2 . 2 23 23 TYR CA C 13 60.832 0.034 . 1 . . . . . 1919 TYR CA . 27094 2 102 . 2 . 2 23 23 TYR CB C 13 37.810 0.038 . 1 . . . . . 1919 TYR CB . 27094 2 103 . 2 . 2 23 23 TYR N N 15 123.157 0.016 . 1 . . . . . 1919 TYR N . 27094 2 104 . 2 . 2 24 24 LEU H H 1 8.451 0.001 . 1 . . . . . 1920 LEU H . 27094 2 105 . 2 . 2 24 24 LEU C C 13 180.016 0.000 . 1 . . . . . 1920 LEU C . 27094 2 106 . 2 . 2 24 24 LEU CA C 13 57.497 0.021 . 1 . . . . . 1920 LEU CA . 27094 2 107 . 2 . 2 24 24 LEU CB C 13 42.200 0.053 . 1 . . . . . 1920 LEU CB . 27094 2 108 . 2 . 2 24 24 LEU N N 15 120.421 0.010 . 1 . . . . . 1920 LEU N . 27094 2 109 . 2 . 2 25 25 LEU H H 1 7.494 0.000 . 1 . . . . . 1921 LEU H . 27094 2 110 . 2 . 2 25 25 LEU C C 13 179.160 0.000 . 1 . . . . . 1921 LEU C . 27094 2 111 . 2 . 2 25 25 LEU CA C 13 57.378 0.068 . 1 . . . . . 1921 LEU CA . 27094 2 112 . 2 . 2 25 25 LEU CB C 13 42.004 0.047 . 1 . . . . . 1921 LEU CB . 27094 2 113 . 2 . 2 25 25 LEU N N 15 118.523 0.008 . 1 . . . . . 1921 LEU N . 27094 2 114 . 2 . 2 26 26 LYS H H 1 7.605 0.001 . 1 . . . . . 1922 LYS H . 27094 2 115 . 2 . 2 26 26 LYS C C 13 178.046 0.000 . 1 . . . . . 1922 LYS C . 27094 2 116 . 2 . 2 26 26 LYS CA C 13 58.174 0.030 . 1 . . . . . 1922 LYS CA . 27094 2 117 . 2 . 2 26 26 LYS CB C 13 32.450 0.060 . 1 . . . . . 1922 LYS CB . 27094 2 118 . 2 . 2 26 26 LYS N N 15 118.823 0.012 . 1 . . . . . 1922 LYS N . 27094 2 119 . 2 . 2 27 27 GLN H H 1 7.738 0.002 . 1 . . . . . 1923 GLN H . 27094 2 120 . 2 . 2 27 27 GLN C C 13 176.952 0.000 . 1 . . . . . 1923 GLN C . 27094 2 121 . 2 . 2 27 27 GLN CA C 13 56.454 0.010 . 1 . . . . . 1923 GLN CA . 27094 2 122 . 2 . 2 27 27 GLN CB C 13 29.119 0.037 . 1 . . . . . 1923 GLN CB . 27094 2 123 . 2 . 2 27 27 GLN N N 15 117.041 0.009 . 1 . . . . . 1923 GLN N . 27094 2 124 . 2 . 2 28 28 LYS H H 1 7.754 0.001 . 1 . . . . . 1924 LYS H . 27094 2 125 . 2 . 2 28 28 LYS C C 13 176.890 0.000 . 1 . . . . . 1924 LYS C . 27094 2 126 . 2 . 2 28 28 LYS CA C 13 56.963 0.010 . 1 . . . . . 1924 LYS CA . 27094 2 127 . 2 . 2 28 28 LYS CB C 13 32.743 0.033 . 1 . . . . . 1924 LYS CB . 27094 2 128 . 2 . 2 28 28 LYS N N 15 119.428 0.010 . 1 . . . . . 1924 LYS N . 27094 2 129 . 2 . 2 29 29 VAL H H 1 7.674 0.001 . 1 . . . . . 1925 VAL H . 27094 2 130 . 2 . 2 29 29 VAL C C 13 175.882 0.000 . 1 . . . . . 1925 VAL C . 27094 2 131 . 2 . 2 29 29 VAL CA C 13 62.472 0.013 . 1 . . . . . 1925 VAL CA . 27094 2 132 . 2 . 2 29 29 VAL CB C 13 32.449 0.064 . 1 . . . . . 1925 VAL CB . 27094 2 133 . 2 . 2 29 29 VAL N N 15 118.692 0.006 . 1 . . . . . 1925 VAL N . 27094 2 134 . 2 . 2 30 30 LYS H H 1 8.100 0.000 . 1 . . . . . 1926 LYS H . 27094 2 135 . 2 . 2 30 30 LYS C C 13 175.450 0.000 . 1 . . . . . 1926 LYS C . 27094 2 136 . 2 . 2 30 30 LYS CA C 13 56.362 0.013 . 1 . . . . . 1926 LYS CA . 27094 2 137 . 2 . 2 30 30 LYS CB C 13 32.953 0.058 . 1 . . . . . 1926 LYS CB . 27094 2 138 . 2 . 2 30 30 LYS N N 15 125.333 0.005 . 1 . . . . . 1926 LYS N . 27094 2 139 . 2 . 2 31 31 LYS H H 1 7.936 0.000 . 1 . . . . . 1927 LYS H . 27094 2 140 . 2 . 2 31 31 LYS CA C 13 57.732 0.000 . 1 . . . . . 1927 LYS CA . 27094 2 141 . 2 . 2 31 31 LYS CB C 13 33.836 0.000 . 1 . . . . . 1927 LYS CB . 27094 2 142 . 2 . 2 31 31 LYS N N 15 128.628 0.003 . 1 . . . . . 1927 LYS N . 27094 2 stop_ save_