################################### # 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_nmr_parameters_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode nmr_parameters_1 _Assigned_chem_shift_list.Entry_ID 6235 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $Ex-cond_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _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 $sample_1 . 6235 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 4 4 LEU CA C 13 58.500 0.12 . 1 . . . . 32 . . . 6235 1 2 . 1 1 5 5 GLN N N 15 118.100 0.15 . 1 . . . . 33 . . . 6235 1 3 . 1 1 5 5 GLN H H 1 8.050 0.03 . 1 . . . . 33 . . . 6235 1 4 . 1 1 5 5 GLN CA C 13 59.100 0.12 . 1 . . . . 33 . . . 6235 1 5 . 1 1 6 6 GLN N N 15 119.400 0.15 . 1 . . . . 34 . . . 6235 1 6 . 1 1 6 6 GLN H H 1 8.360 0.03 . 1 . . . . 34 . . . 6235 1 7 . 1 1 6 6 GLN CA C 13 58.900 0.12 . 1 . . . . 34 . . . 6235 1 8 . 1 1 7 7 THR N N 15 118.300 0.15 . 1 . . . . 35 . . . 6235 1 9 . 1 1 7 7 THR H H 1 8.190 0.03 . 1 . . . . 35 . . . 6235 1 10 . 1 1 7 7 THR CA C 13 66.800 0.12 . 1 . . . . 35 . . . 6235 1 11 . 1 1 8 8 GLN N N 15 122.100 0.15 . 1 . . . . 36 . . . 6235 1 12 . 1 1 8 8 GLN H H 1 8.650 0.03 . 1 . . . . 36 . . . 6235 1 13 . 1 1 8 8 GLN CA C 13 58.900 0.12 . 1 . . . . 36 . . . 6235 1 14 . 1 1 9 9 ALA N N 15 119.700 0.15 . 1 . . . . 37 . . . 6235 1 15 . 1 1 9 9 ALA H H 1 7.790 0.03 . 1 . . . . 37 . . . 6235 1 16 . 1 1 9 9 ALA CA C 13 55.100 0.12 . 1 . . . . 37 . . . 6235 1 17 . 1 1 10 10 GLN N N 15 117.900 0.15 . 1 . . . . 38 . . . 6235 1 18 . 1 1 10 10 GLN H H 1 7.960 0.03 . 1 . . . . 38 . . . 6235 1 19 . 1 1 10 10 GLN CA C 13 59.000 0.12 . 1 . . . . 38 . . . 6235 1 20 . 1 1 11 11 VAL N N 15 120.800 0.15 . 1 . . . . 39 . . . 6235 1 21 . 1 1 11 11 VAL H H 1 8.510 0.03 . 1 . . . . 39 . . . 6235 1 22 . 1 1 11 11 VAL CA C 13 67.200 0.12 . 1 . . . . 39 . . . 6235 1 23 . 1 1 12 12 ASP N N 15 119.900 0.15 . 1 . . . . 40 . . . 6235 1 24 . 1 1 12 12 ASP H H 1 8.620 0.03 . 1 . . . . 40 . . . 6235 1 25 . 1 1 12 12 ASP CA C 13 57.700 0.12 . 1 . . . . 40 . . . 6235 1 26 . 1 1 13 13 GLU N N 15 118.300 0.15 . 1 . . . . 41 . . . 6235 1 27 . 1 1 13 13 GLU H H 1 7.650 0.03 . 1 . . . . 41 . . . 6235 1 28 . 1 1 13 13 GLU CA C 13 59.400 0.12 . 1 . . . . 41 . . . 6235 1 29 . 1 1 14 14 VAL N N 15 118.300 0.15 . 1 . . . . 42 . . . 6235 1 30 . 1 1 14 14 VAL H H 1 7.860 0.03 . 1 . . . . 42 . . . 6235 1 31 . 1 1 14 14 VAL CA C 13 66.600 0.12 . 1 . . . . 42 . . . 6235 1 32 . 1 1 15 15 VAL N N 15 122.100 0.15 . 1 . . . . 43 . . . 6235 1 33 . 1 1 15 15 VAL H H 1 8.920 0.03 . 1 . . . . 43 . . . 6235 1 34 . 1 1 15 15 VAL CA C 13 67.500 0.12 . 1 . . . . 43 . . . 6235 1 35 . 1 1 16 16 ASP N N 15 118.800 0.15 . 1 . . . . 44 . . . 6235 1 36 . 1 1 16 16 ASP H H 1 7.700 0.03 . 1 . . . . 44 . . . 6235 1 37 . 1 1 16 16 ASP CA C 13 57.900 0.12 . 1 . . . . 44 . . . 6235 1 38 . 1 1 17 17 ILE N N 15 119.700 0.15 . 1 . . . . 45 . . . 6235 1 39 . 1 1 17 17 ILE H H 1 7.900 0.03 . 1 . . . . 45 . . . 6235 1 40 . 1 1 17 17 ILE CA C 13 65.200 0.12 . 1 . . . . 45 . . . 6235 1 41 . 1 1 18 18 MET N N 15 117.000 0.15 . 1 . . . . 46 . . . 6235 1 42 . 1 1 18 18 MET H H 1 8.730 0.03 . 1 . . . . 46 . . . 6235 1 43 . 1 1 18 18 MET CA C 13 56.400 0.12 . 1 . . . . 46 . . . 6235 1 44 . 1 1 19 19 ARG N N 15 121.300 0.15 . 1 . . . . 47 . . . 6235 1 45 . 1 1 19 19 ARG H H 1 8.800 0.03 . 1 . . . . 47 . . . 6235 1 46 . 1 1 19 19 ARG CA C 13 60.200 0.12 . 1 . . . . 47 . . . 6235 1 47 . 1 1 20 20 VAL N N 15 119.800 0.15 . 1 . . . . 48 . . . 6235 1 48 . 1 1 20 20 VAL H H 1 7.270 0.03 . 1 . . . . 48 . . . 6235 1 49 . 1 1 20 20 VAL CA C 13 65.700 0.12 . 1 . . . . 48 . . . 6235 1 50 . 1 1 21 21 ASN N N 15 119.900 0.15 . 1 . . . . 49 . . . 6235 1 51 . 1 1 21 21 ASN H H 1 8.330 0.03 . 1 . . . . 49 . . . 6235 1 52 . 1 1 21 21 ASN CA C 13 55.800 0.12 . 1 . . . . 49 . . . 6235 1 53 . 1 1 22 22 VAL N N 15 121.800 0.15 . 1 . . . . 50 . . . 6235 1 54 . 1 1 22 22 VAL H H 1 8.550 0.03 . 1 . . . . 50 . . . 6235 1 55 . 1 1 22 22 VAL CA C 13 66.600 0.12 . 1 . . . . 50 . . . 6235 1 56 . 1 1 23 23 ASP N N 15 119.900 0.15 . 1 . . . . 51 . . . 6235 1 57 . 1 1 23 23 ASP H H 1 7.270 0.03 . 1 . . . . 51 . . . 6235 1 58 . 1 1 23 23 ASP CA C 13 58.300 0.12 . 1 . . . . 51 . . . 6235 1 59 . 1 1 24 24 LYS N N 15 119.900 0.15 . 1 . . . . 52 . . . 6235 1 60 . 1 1 24 24 LYS H H 1 8.390 0.03 . 1 . . . . 52 . . . 6235 1 61 . 1 1 24 24 LYS CA C 13 59.800 0.12 . 1 . . . . 52 . . . 6235 1 62 . 1 1 25 25 VAL N N 15 123.100 0.15 . 1 . . . . 53 . . . 6235 1 63 . 1 1 25 25 VAL H H 1 8.820 0.03 . 1 . . . . 53 . . . 6235 1 64 . 1 1 25 25 VAL CA C 13 64.800 0.12 . 1 . . . . 53 . . . 6235 1 65 . 1 1 26 26 LEU N N 15 127.100 0.15 . 1 . . . . 54 . . . 6235 1 66 . 1 1 26 26 LEU H H 1 8.510 0.03 . 1 . . . . 54 . . . 6235 1 67 . 1 1 26 26 LEU CA C 13 57.700 0.12 . 1 . . . . 54 . . . 6235 1 68 . 1 1 27 27 GLU N N 15 123.600 0.15 . 1 . . . . 55 . . . 6235 1 69 . 1 1 27 27 GLU H H 1 7.790 0.03 . 1 . . . . 55 . . . 6235 1 70 . 1 1 27 27 GLU CA C 13 59.700 0.12 . 1 . . . . 55 . . . 6235 1 71 . 1 1 28 28 ARG N N 15 121.900 0.15 . 1 . . . . 56 . . . 6235 1 72 . 1 1 28 28 ARG H H 1 8.070 0.03 . 1 . . . . 56 . . . 6235 1 73 . 1 1 32 32 LEU N N 15 118.300 0.15 . 1 . . . . 60 . . . 6235 1 74 . 1 1 32 32 LEU H H 1 8.980 0.03 . 1 . . . . 60 . . . 6235 1 75 . 1 1 32 32 LEU CA C 13 57.800 0.12 . 1 . . . . 60 . . . 6235 1 76 . 1 1 33 33 SER N N 15 116.300 0.15 . 1 . . . . 61 . . . 6235 1 77 . 1 1 33 33 SER H H 1 8.320 0.03 . 1 . . . . 61 . . . 6235 1 78 . 1 1 33 33 SER CA C 13 62.000 0.12 . 1 . . . . 61 . . . 6235 1 79 . 1 1 34 34 GLU N N 15 122.300 0.15 . 1 . . . . 62 . . . 6235 1 80 . 1 1 34 34 GLU H H 1 7.690 0.03 . 1 . . . . 62 . . . 6235 1 81 . 1 1 34 34 GLU CA C 13 59.100 0.12 . 1 . . . . 62 . . . 6235 1 82 . 1 1 35 35 LEU N N 15 122.400 0.15 . 1 . . . . 63 . . . 6235 1 83 . 1 1 35 35 LEU H H 1 8.650 0.03 . 1 . . . . 63 . . . 6235 1 84 . 1 1 35 35 LEU CA C 13 57.600 0.12 . 1 . . . . 63 . . . 6235 1 85 . 1 1 36 36 ASP N N 15 122.000 0.15 . 1 . . . . 64 . . . 6235 1 86 . 1 1 36 36 ASP H H 1 9.090 0.03 . 1 . . . . 64 . . . 6235 1 87 . 1 1 36 36 ASP CA C 13 56.200 0.12 . 1 . . . . 64 . . . 6235 1 88 . 1 1 37 37 ASP N N 15 119.700 0.15 . 1 . . . . 65 . . . 6235 1 89 . 1 1 37 37 ASP H H 1 7.490 0.03 . 1 . . . . 65 . . . 6235 1 90 . 1 1 37 37 ASP CA C 13 57.700 0.12 . 1 . . . . 65 . . . 6235 1 91 . 1 1 38 38 ARG N N 15 119.100 0.15 . 1 . . . . 66 . . . 6235 1 92 . 1 1 38 38 ARG H H 1 8.430 0.03 . 1 . . . . 66 . . . 6235 1 93 . 1 1 38 38 ARG CA C 13 58.800 0.12 . 1 . . . . 66 . . . 6235 1 94 . 1 1 39 39 ALA N N 15 121.800 0.15 . 1 . . . . 67 . . . 6235 1 95 . 1 1 39 39 ALA H H 1 9.650 0.03 . 1 . . . . 67 . . . 6235 1 96 . 1 1 39 39 ALA CA C 13 55.200 0.12 . 1 . . . . 67 . . . 6235 1 97 . 1 1 40 40 ASP N N 15 119.400 0.15 . 1 . . . . 68 . . . 6235 1 98 . 1 1 40 40 ASP H H 1 7.860 0.03 . 1 . . . . 68 . . . 6235 1 99 . 1 1 40 40 ASP CA C 13 57.400 0.12 . 1 . . . . 68 . . . 6235 1 100 . 1 1 41 41 ALA N N 15 120.700 0.15 . 1 . . . . 69 . . . 6235 1 101 . 1 1 41 41 ALA H H 1 7.930 0.03 . 1 . . . . 69 . . . 6235 1 102 . 1 1 41 41 ALA CA C 13 54.900 0.12 . 1 . . . . 69 . . . 6235 1 103 . 1 1 42 42 LEU N N 15 119.700 0.15 . 1 . . . . 70 . . . 6235 1 104 . 1 1 42 42 LEU H H 1 8.650 0.03 . 1 . . . . 70 . . . 6235 1 105 . 1 1 42 42 LEU CA C 13 58.100 0.12 . 1 . . . . 70 . . . 6235 1 106 . 1 1 43 43 GLN N N 15 117.100 0.15 . 1 . . . . 71 . . . 6235 1 107 . 1 1 43 43 GLN H H 1 8.110 0.03 . 1 . . . . 71 . . . 6235 1 108 . 1 1 43 43 GLN CA C 13 59.800 0.12 . 1 . . . . 71 . . . 6235 1 109 . 1 1 44 44 ALA N N 15 123.600 0.15 . 1 . . . . 72 . . . 6235 1 110 . 1 1 44 44 ALA H H 1 7.910 0.03 . 1 . . . . 72 . . . 6235 1 111 . 1 1 44 44 ALA CA C 13 55.000 0.12 . 1 . . . . 72 . . . 6235 1 112 . 1 1 45 45 GLY N N 15 107.2 0.15 . 1 . . . . 73 . . . 6235 1 113 . 1 1 45 45 GLY H H 1 8.540 0.03 . 1 . . . . 73 . . . 6235 1 114 . 1 1 45 45 GLY CA C 13 47.000 0.12 . 1 . . . . 73 . . . 6235 1 115 . 1 1 46 46 ALA N N 15 125.500 0.15 . 1 . . . . 74 . . . 6235 1 116 . 1 1 46 46 ALA H H 1 8.970 0.03 . 1 . . . . 74 . . . 6235 1 117 . 1 1 46 46 ALA CA C 13 55.500 0.12 . 1 . . . . 74 . . . 6235 1 118 . 1 1 47 47 SER N N 15 114.200 0.15 . 1 . . . . 75 . . . 6235 1 119 . 1 1 47 47 SER H H 1 8.380 0.03 . 1 . . . . 75 . . . 6235 1 120 . 1 1 47 47 SER CA C 13 60.700 0.12 . 1 . . . . 75 . . . 6235 1 121 . 1 1 48 48 GLN N N 15 120.800 0.15 . 1 . . . . 76 . . . 6235 1 122 . 1 1 48 48 GLN H H 1 7.600 0.03 . 1 . . . . 76 . . . 6235 1 123 . 1 1 48 48 GLN CA C 13 58.700 0.12 . 1 . . . . 76 . . . 6235 1 124 . 1 1 49 49 PHE N N 15 121.200 0.15 . 1 . . . . 77 . . . 6235 1 125 . 1 1 49 49 PHE H H 1 8.200 0.03 . 1 . . . . 77 . . . 6235 1 126 . 1 1 49 49 PHE CA C 13 59.200 0.12 . 1 . . . . 77 . . . 6235 1 127 . 1 1 50 50 GLU N N 15 120.500 0.15 . 1 . . . . 78 . . . 6235 1 128 . 1 1 50 50 GLU H H 1 8.460 0.03 . 1 . . . . 78 . . . 6235 1 129 . 1 1 50 50 GLU CA C 13 60.600 0.12 . 1 . . . . 78 . . . 6235 1 130 . 1 1 51 51 THR N N 15 115.500 0.15 . 1 . . . . 79 . . . 6235 1 131 . 1 1 51 51 THR H H 1 7.940 0.03 . 1 . . . . 79 . . . 6235 1 132 . 1 1 51 51 THR CA C 13 66.600 0.12 . 1 . . . . 79 . . . 6235 1 133 . 1 1 52 52 SER N N 15 119.600 0.15 . 1 . . . . 80 . . . 6235 1 134 . 1 1 52 52 SER H H 1 8.540 0.03 . 1 . . . . 80 . . . 6235 1 135 . 1 1 52 52 SER CA C 13 62.200 0.12 . 1 . . . . 80 . . . 6235 1 136 . 1 1 53 53 ALA N N 15 124.900 0.15 . 1 . . . . 81 . . . 6235 1 137 . 1 1 53 53 ALA H H 1 9.070 0.03 . 1 . . . . 81 . . . 6235 1 138 . 1 1 53 53 ALA CA C 13 55.200 0.12 . 1 . . . . 81 . . . 6235 1 139 . 1 1 54 54 ALA N N 15 119.600 0.15 . 1 . . . . 82 . . . 6235 1 140 . 1 1 54 54 ALA H H 1 7.990 0.03 . 1 . . . . 82 . . . 6235 1 141 . 1 1 54 54 ALA CA C 13 55.100 0.12 . 1 . . . . 82 . . . 6235 1 142 . 1 1 55 55 LYS N N 15 117.900 0.15 . 1 . . . . 83 . . . 6235 1 143 . 1 1 55 55 LYS H H 1 7.670 0.03 . 1 . . . . 83 . . . 6235 1 144 . 1 1 55 55 LYS CA C 13 59.500 0.12 . 1 . . . . 83 . . . 6235 1 145 . 1 1 56 56 LEU N N 15 121.800 0.15 . 1 . . . . 84 . . . 6235 1 146 . 1 1 56 56 LEU H H 1 8.280 0.03 . 1 . . . . 84 . . . 6235 1 147 . 1 1 56 56 LEU CA C 13 57.900 0.12 . 1 . . . . 84 . . . 6235 1 148 . 1 1 57 57 LYS N N 15 119.200 0.15 . 1 . . . . 85 . . . 6235 1 149 . 1 1 57 57 LYS H H 1 8.080 0.03 . 1 . . . . 85 . . . 6235 1 150 . 1 1 57 57 LYS CA C 13 59.100 0.12 . 1 . . . . 85 . . . 6235 1 151 . 1 1 58 58 ARG N N 15 116.000 0.15 . 1 . . . . 86 . . . 6235 1 152 . 1 1 58 58 ARG H H 1 7.430 0.03 . 1 . . . . 86 . . . 6235 1 153 . 1 1 58 58 ARG CA C 13 58.200 0.12 . 1 . . . . 86 . . . 6235 1 154 . 1 1 59 59 LYS N N 15 118.800 0.15 . 1 . . . . 87 . . . 6235 1 155 . 1 1 59 59 LYS H H 1 7.830 0.03 . 1 . . . . 87 . . . 6235 1 156 . 1 1 59 59 LYS CA C 13 58.300 0.12 . 1 . . . . 87 . . . 6235 1 157 . 1 1 61 61 TRP N N 15 119.500 0.15 . 1 . . . . 89 . . . 6235 1 158 . 1 1 61 61 TRP H H 1 7.820 0.03 . 1 . . . . 89 . . . 6235 1 159 . 1 1 61 61 TRP CA C 13 58.100 0.12 . 1 . . . . 89 . . . 6235 1 160 . 1 1 62 62 TRP N N 15 119.900 0.15 . 1 . . . . 90 . . . 6235 1 161 . 1 1 62 62 TRP H H 1 7.460 0.03 . 1 . . . . 90 . . . 6235 1 162 . 1 1 62 62 TRP CA C 13 57.600 0.12 . 1 . . . . 90 . . . 6235 1 163 . 1 1 65 65 LEU N N 15 127.300 0.15 . 1 . . . . 93 . . . 6235 1 164 . 1 1 65 65 LEU H H 1 7.610 0.03 . 1 . . . . 93 . . . 6235 1 165 . 1 1 65 65 LEU CA C 13 56.900 0.12 . 1 . . . . 93 . . . 6235 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_nmr_parameters_2 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode nmr_parameters_2 _Assigned_chem_shift_list.Entry_ID 6235 _Assigned_chem_shift_list.ID 2 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $Ex-cond_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _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 $sample_1 . 6235 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.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 5 5 ILE N N 15 121.790 0.15 . 1 . . . . 195 . . . 6235 2 2 . 2 2 5 5 ILE H H 1 7.930 0.03 . 1 . . . . 195 . . . 6235 2 3 . 2 2 5 5 ILE CA C 13 64.100 0.12 . 1 . . . . 195 . . . 6235 2 4 . 2 2 6 6 GLU N N 15 122.650 0.15 . 1 . . . . 196 . . . 6235 2 5 . 2 2 6 6 GLU H H 1 8.720 0.03 . 1 . . . . 196 . . . 6235 2 6 . 2 2 6 6 GLU CA C 13 60.000 0.12 . 1 . . . . 196 . . . 6235 2 7 . 2 2 7 7 THR N N 15 117.900 0.15 . 1 . . . . 197 . . . 6235 2 8 . 2 2 7 7 THR H H 1 8.260 0.03 . 1 . . . . 197 . . . 6235 2 9 . 2 2 7 7 THR CA C 13 66.500 0.12 . 1 . . . . 197 . . . 6235 2 10 . 2 2 8 8 ARG N N 15 123.180 0.15 . 1 . . . . 198 . . . 6235 2 11 . 2 2 8 8 ARG H H 1 8.080 0.03 . 1 . . . . 198 . . . 6235 2 12 . 2 2 8 8 ARG CA C 13 59.400 0.12 . 1 . . . . 198 . . . 6235 2 13 . 2 2 9 9 HIS N N 15 119.300 0.15 . 1 . . . . 199 . . . 6235 2 14 . 2 2 9 9 HIS H H 1 8.400 0.03 . 1 . . . . 199 . . . 6235 2 15 . 2 2 9 9 HIS CA C 13 60.400 0.12 . 1 . . . . 199 . . . 6235 2 16 . 2 2 10 10 SER N N 15 113.620 0.15 . 1 . . . . 200 . . . 6235 2 17 . 2 2 10 10 SER H H 1 8.020 0.03 . 1 . . . . 200 . . . 6235 2 18 . 2 2 10 10 SER CA C 13 61.900 0.12 . 1 . . . . 200 . . . 6235 2 19 . 2 2 11 11 GLU N N 15 122.230 0.15 . 1 . . . . 201 . . . 6235 2 20 . 2 2 11 11 GLU H H 1 7.890 0.03 . 1 . . . . 201 . . . 6235 2 21 . 2 2 11 11 GLU CA C 13 59.600 0.12 . 1 . . . . 201 . . . 6235 2 22 . 2 2 12 12 ILE N N 15 125.220 0.15 . 1 . . . . 202 . . . 6235 2 23 . 2 2 12 12 ILE H H 1 8.530 0.03 . 1 . . . . 202 . . . 6235 2 24 . 2 2 12 12 ILE CA C 13 65.400 0.12 . 1 . . . . 202 . . . 6235 2 25 . 2 2 13 13 ILE N N 15 120.540 0.15 . 1 . . . . 203 . . . 6235 2 26 . 2 2 13 13 ILE H H 1 8.270 0.03 . 1 . . . . 203 . . . 6235 2 27 . 2 2 13 13 ILE CA C 13 62.700 0.12 . 1 . . . . 203 . . . 6235 2 28 . 2 2 14 14 LYS N N 15 121.590 0.15 . 1 . . . . 204 . . . 6235 2 29 . 2 2 14 14 LYS H H 1 7.650 0.03 . 1 . . . . 204 . . . 6235 2 30 . 2 2 14 14 LYS CA C 13 59.900 0.12 . 1 . . . . 204 . . . 6235 2 31 . 2 2 15 15 LEU N N 15 123.600 0.15 . 1 . . . . 205 . . . 6235 2 32 . 2 2 15 15 LEU H H 1 7.850 0.03 . 1 . . . . 205 . . . 6235 2 33 . 2 2 15 15 LEU CA C 13 57.900 0.12 . 1 . . . . 205 . . . 6235 2 34 . 2 2 16 16 GLU N N 15 123.030 0.15 . 1 . . . . 206 . . . 6235 2 35 . 2 2 16 16 GLU H H 1 9.000 0.03 . 1 . . . . 206 . . . 6235 2 36 . 2 2 16 16 GLU CA C 13 60.500 0.12 . 1 . . . . 206 . . . 6235 2 37 . 2 2 17 17 ASN N N 15 118.330 0.15 . 1 . . . . 207 . . . 6235 2 38 . 2 2 17 17 ASN H H 1 8.600 0.03 . 1 . . . . 207 . . . 6235 2 39 . 2 2 17 17 ASN CA C 13 56.700 0.12 . 1 . . . . 207 . . . 6235 2 40 . 2 2 18 18 SER N N 15 119.500 0.15 . 1 . . . . 208 . . . 6235 2 41 . 2 2 18 18 SER H H 1 8.290 0.03 . 1 . . . . 208 . . . 6235 2 42 . 2 2 18 18 SER CA C 13 62.700 0.12 . 1 . . . . 208 . . . 6235 2 43 . 2 2 19 19 ILE N N 15 124.520 0.15 . 1 . . . . 209 . . . 6235 2 44 . 2 2 19 19 ILE H H 1 8.700 0.03 . 1 . . . . 209 . . . 6235 2 45 . 2 2 19 19 ILE CA C 13 65.500 0.12 . 1 . . . . 209 . . . 6235 2 46 . 2 2 20 20 ARG N N 15 124.520 0.15 . 1 . . . . 210 . . . 6235 2 47 . 2 2 20 20 ARG H H 1 9.080 0.03 . 1 . . . . 210 . . . 6235 2 48 . 2 2 20 20 ARG CA C 13 60.700 0.12 . 1 . . . . 210 . . . 6235 2 49 . 2 2 21 21 GLU N N 15 120.850 0.15 . 1 . . . . 211 . . . 6235 2 50 . 2 2 21 21 GLU H H 1 7.720 0.03 . 1 . . . . 211 . . . 6235 2 51 . 2 2 21 21 GLU CA C 13 59.800 0.12 . 1 . . . . 211 . . . 6235 2 52 . 2 2 22 22 LEU N N 15 121.080 0.15 . 1 . . . . 212 . . . 6235 2 53 . 2 2 22 22 LEU H H 1 8.170 0.03 . 1 . . . . 212 . . . 6235 2 54 . 2 2 22 22 LEU CA C 13 58.400 0.12 . 1 . . . . 212 . . . 6235 2 55 . 2 2 23 23 HIS N N 15 120.570 0.15 . 1 . . . . 213 . . . 6235 2 56 . 2 2 23 23 HIS H H 1 9.190 0.03 . 1 . . . . 213 . . . 6235 2 57 . 2 2 23 23 HIS CA C 13 58.600 0.12 . 1 . . . . 213 . . . 6235 2 58 . 2 2 24 24 ASP N N 15 121.810 0.15 . 1 . . . . 214 . . . 6235 2 59 . 2 2 24 24 ASP H H 1 8.780 0.03 . 1 . . . . 214 . . . 6235 2 60 . 2 2 24 24 ASP CA C 13 57.700 0.12 . 1 . . . . 214 . . . 6235 2 61 . 2 2 25 25 MET N N 15 119.030 0.15 . 1 . . . . 215 . . . 6235 2 62 . 2 2 25 25 MET H H 1 7.900 0.03 . 1 . . . . 215 . . . 6235 2 63 . 2 2 25 25 MET CA C 13 59.800 0.12 . 1 . . . . 215 . . . 6235 2 64 . 2 2 26 26 PHE N N 15 118.820 0.15 . 1 . . . . 216 . . . 6235 2 65 . 2 2 26 26 PHE H H 1 8.290 0.03 . 1 . . . . 216 . . . 6235 2 66 . 2 2 26 26 PHE CA C 13 63.300 0.12 . 1 . . . . 216 . . . 6235 2 67 . 2 2 27 27 MET N N 15 118.690 0.15 . 1 . . . . 217 . . . 6235 2 68 . 2 2 27 27 MET H H 1 8.470 0.03 . 1 . . . . 217 . . . 6235 2 69 . 2 2 27 27 MET CA C 13 57.000 0.12 . 1 . . . . 217 . . . 6235 2 70 . 2 2 28 28 ASP N N 15 122.900 0.15 . 1 . . . . 218 . . . 6235 2 71 . 2 2 28 28 ASP H H 1 8.630 0.03 . 1 . . . . 218 . . . 6235 2 72 . 2 2 28 28 ASP CA C 13 57.300 0.12 . 1 . . . . 218 . . . 6235 2 73 . 2 2 29 29 MET N N 15 119.080 0.15 . 1 . . . . 219 . . . 6235 2 74 . 2 2 29 29 MET H H 1 8.300 0.03 . 1 . . . . 219 . . . 6235 2 75 . 2 2 29 29 MET CA C 13 57.600 0.12 . 1 . . . . 219 . . . 6235 2 76 . 2 2 30 30 ALA N N 15 120.540 0.15 . 1 . . . . 220 . . . 6235 2 77 . 2 2 30 30 ALA H H 1 7.500 0.03 . 1 . . . . 220 . . . 6235 2 78 . 2 2 30 30 ALA CA C 13 55.300 0.12 . 1 . . . . 220 . . . 6235 2 79 . 2 2 31 31 MET N N 15 118.630 0.15 . 1 . . . . 221 . . . 6235 2 80 . 2 2 31 31 MET H H 1 7.750 0.03 . 1 . . . . 221 . . . 6235 2 81 . 2 2 31 31 MET CA C 13 58.700 0.12 . 1 . . . . 221 . . . 6235 2 82 . 2 2 32 32 LEU N N 15 123.810 0.15 . 1 . . . . 222 . . . 6235 2 83 . 2 2 32 32 LEU H H 1 8.730 0.03 . 1 . . . . 222 . . . 6235 2 84 . 2 2 32 32 LEU CA C 13 58.300 0.12 . 1 . . . . 222 . . . 6235 2 85 . 2 2 33 33 VAL N N 15 120.210 0.15 . 1 . . . . 223 . . . 6235 2 86 . 2 2 33 33 VAL H H 1 8.550 0.03 . 1 . . . . 223 . . . 6235 2 87 . 2 2 33 33 VAL CA C 13 67.500 0.12 . 1 . . . . 223 . . . 6235 2 88 . 2 2 37 37 GLY N N 15 108.2 0.15 . 1 . . . . 227 . . . 6235 2 89 . 2 2 37 37 GLY H H 1 8.040 0.03 . 1 . . . . 227 . . . 6235 2 90 . 2 2 37 37 GLY CA C 13 47.600 0.12 . 1 . . . . 227 . . . 6235 2 91 . 2 2 38 38 GLU N N 15 120.970 0.15 . 1 . . . . 228 . . . 6235 2 92 . 2 2 38 38 GLU H H 1 7.480 0.03 . 1 . . . . 228 . . . 6235 2 93 . 2 2 38 38 GLU CA C 13 59.400 0.12 . 1 . . . . 228 . . . 6235 2 94 . 2 2 39 39 MET N N 15 118.030 0.15 . 1 . . . . 229 . . . 6235 2 95 . 2 2 39 39 MET H H 1 7.120 0.03 . 1 . . . . 229 . . . 6235 2 96 . 2 2 39 39 MET CA C 13 59.100 0.12 . 1 . . . . 229 . . . 6235 2 97 . 2 2 40 40 ILE N N 15 119.960 0.15 . 1 . . . . 230 . . . 6235 2 98 . 2 2 40 40 ILE H H 1 7.910 0.03 . 1 . . . . 230 . . . 6235 2 99 . 2 2 40 40 ILE CA C 13 66.200 0.12 . 1 . . . . 230 . . . 6235 2 100 . 2 2 41 41 ASP N N 15 120.240 0.15 . 1 . . . . 231 . . . 6235 2 101 . 2 2 41 41 ASP H H 1 8.460 0.03 . 1 . . . . 231 . . . 6235 2 102 . 2 2 41 41 ASP CA C 13 57.900 0.12 . 1 . . . . 231 . . . 6235 2 103 . 2 2 42 42 ARG N N 15 121.960 0.15 . 1 . . . . 232 . . . 6235 2 104 . 2 2 42 42 ARG H H 1 7.270 0.03 . 1 . . . . 232 . . . 6235 2 105 . 2 2 42 42 ARG CA C 13 59.900 0.12 . 1 . . . . 232 . . . 6235 2 106 . 2 2 43 43 ILE N N 15 121.730 0.15 . 1 . . . . 233 . . . 6235 2 107 . 2 2 43 43 ILE H H 1 8.600 0.03 . 1 . . . . 233 . . . 6235 2 108 . 2 2 43 43 ILE CA C 13 65.300 0.12 . 1 . . . . 233 . . . 6235 2 109 . 2 2 44 44 GLU N N 15 119.950 0.15 . 1 . . . . 234 . . . 6235 2 110 . 2 2 44 44 GLU H H 1 9.000 0.03 . 1 . . . . 234 . . . 6235 2 111 . 2 2 44 44 GLU CA C 13 60.000 0.12 . 1 . . . . 234 . . . 6235 2 112 . 2 2 45 45 TYR N N 15 120.270 0.15 . 1 . . . . 235 . . . 6235 2 113 . 2 2 45 45 TYR H H 1 8.020 0.03 . 1 . . . . 235 . . . 6235 2 114 . 2 2 45 45 TYR CA C 13 60.900 0.12 . 1 . . . . 235 . . . 6235 2 115 . 2 2 46 46 ASN N N 15 121.070 0.15 . 1 . . . . 236 . . . 6235 2 116 . 2 2 46 46 ASN H H 1 8.860 0.03 . 1 . . . . 236 . . . 6235 2 117 . 2 2 46 46 ASN CA C 13 56.400 0.12 . 1 . . . . 236 . . . 6235 2 118 . 2 2 47 47 VAL N N 15 122.950 0.15 . 1 . . . . 237 . . . 6235 2 119 . 2 2 47 47 VAL H H 1 9.140 0.03 . 1 . . . . 237 . . . 6235 2 120 . 2 2 47 47 VAL CA C 13 67.800 0.12 . 1 . . . . 237 . . . 6235 2 121 . 2 2 48 48 GLU N N 15 120.670 0.15 . 1 . . . . 238 . . . 6235 2 122 . 2 2 48 48 GLU H H 1 8.610 0.03 . 1 . . . . 238 . . . 6235 2 123 . 2 2 48 48 GLU CA C 13 60.100 0.12 . 1 . . . . 238 . . . 6235 2 124 . 2 2 49 49 HIS N N 15 116.640 0.15 . 1 . . . . 239 . . . 6235 2 125 . 2 2 49 49 HIS H H 1 7.800 0.03 . 1 . . . . 239 . . . 6235 2 126 . 2 2 49 49 HIS CA C 13 59.300 0.12 . 1 . . . . 239 . . . 6235 2 127 . 2 2 50 50 ALA N N 15 121.730 0.15 . 1 . . . . 240 . . . 6235 2 128 . 2 2 50 50 ALA H H 1 8.360 0.03 . 1 . . . . 240 . . . 6235 2 129 . 2 2 50 50 ALA CA C 13 56.100 0.12 . 1 . . . . 240 . . . 6235 2 130 . 2 2 51 51 VAL N N 15 118.160 0.15 . 1 . . . . 241 . . . 6235 2 131 . 2 2 51 51 VAL H H 1 8.670 0.03 . 1 . . . . 241 . . . 6235 2 132 . 2 2 51 51 VAL CA C 13 65.900 0.12 . 1 . . . . 241 . . . 6235 2 133 . 2 2 52 52 ASP N N 15 119.750 0.15 . 1 . . . . 242 . . . 6235 2 134 . 2 2 52 52 ASP H H 1 7.280 0.03 . 1 . . . . 242 . . . 6235 2 135 . 2 2 52 52 ASP CA C 13 57.300 0.12 . 1 . . . . 242 . . . 6235 2 136 . 2 2 53 53 TYR N N 15 118.420 0.15 . 1 . . . . 243 . . . 6235 2 137 . 2 2 53 53 TYR H H 1 8.450 0.03 . 1 . . . . 243 . . . 6235 2 138 . 2 2 53 53 TYR CA C 13 60.100 0.12 . 1 . . . . 243 . . . 6235 2 139 . 2 2 54 54 VAL CA C 13 67.700 0.12 . 1 . . . . 244 . . . 6235 2 140 . 2 2 55 55 GLU N N 15 120.660 0.15 . 1 . . . . 245 . . . 6235 2 141 . 2 2 55 55 GLU H H 1 8.590 0.03 . 1 . . . . 245 . . . 6235 2 142 . 2 2 55 55 GLU CA C 13 60.100 0.12 . 1 . . . . 245 . . . 6235 2 143 . 2 2 56 56 ARG N N 15 119.960 0.15 . 1 . . . . 246 . . . 6235 2 144 . 2 2 56 56 ARG H H 1 8.180 0.03 . 1 . . . . 246 . . . 6235 2 145 . 2 2 56 56 ARG CA C 13 59.800 0.12 . 1 . . . . 246 . . . 6235 2 146 . 2 2 57 57 ALA N N 15 123.260 0.15 . 1 . . . . 247 . . . 6235 2 147 . 2 2 57 57 ALA H H 1 8.240 0.03 . 1 . . . . 247 . . . 6235 2 148 . 2 2 57 57 ALA CA C 13 54.700 0.12 . 1 . . . . 247 . . . 6235 2 149 . 2 2 62 62 LYS CA C 13 56.400 0.12 . 1 . . . . 252 . . . 6235 2 150 . 2 2 63 63 LYS N N 15 112.360 0.15 . 1 . . . . 253 . . . 6235 2 151 . 2 2 63 63 LYS H H 1 7.850 0.03 . 1 . . . . 253 . . . 6235 2 152 . 2 2 63 63 LYS CA C 13 58.000 0.12 . 1 . . . . 253 . . . 6235 2 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_nmr_parameters_3 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode nmr_parameters_3 _Assigned_chem_shift_list.Entry_ID 6235 _Assigned_chem_shift_list.ID 3 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $Ex-cond_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _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 $sample_1 . 6235 3 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 3 3 2 2 GLU CA C 13 57.900 0.12 . 1 . . . . 12 . . . 6235 3 2 . 3 3 3 3 GLU CA C 13 59.700 0.12 . 1 . . . . 13 . . . 6235 3 3 . 3 3 3 3 GLU N N 15 119.200 0.15 . 1 . . . . 13 . . . 6235 3 4 . 3 3 3 3 GLU H H 1 8.520 0.03 . 1 . . . . 13 . . . 6235 3 5 . 3 3 4 4 MET N N 15 120.000 0.15 . 1 . . . . 14 . . . 6235 3 6 . 3 3 4 4 MET H H 1 8.050 0.03 . 1 . . . . 14 . . . 6235 3 7 . 3 3 4 4 MET CA C 13 58.900 0.12 . 1 . . . . 14 . . . 6235 3 8 . 3 3 5 5 GLN N N 15 119.500 0.15 . 1 . . . . 15 . . . 6235 3 9 . 3 3 5 5 GLN H H 1 8.200 0.03 . 1 . . . . 15 . . . 6235 3 10 . 3 3 5 5 GLN CA C 13 58.500 0.12 . 1 . . . . 15 . . . 6235 3 11 . 3 3 6 6 ARG N N 15 119.300 0.15 . 1 . . . . 16 . . . 6235 3 12 . 3 3 6 6 ARG H H 1 8.060 0.03 . 1 . . . . 16 . . . 6235 3 13 . 3 3 6 6 ARG CA C 13 59.100 0.12 . 1 . . . . 16 . . . 6235 3 14 . 3 3 7 7 ARG N N 15 120.000 0.15 . 1 . . . . 17 . . . 6235 3 15 . 3 3 7 7 ARG H H 1 7.990 0.03 . 1 . . . . 17 . . . 6235 3 16 . 3 3 7 7 ARG CA C 13 58.700 0.12 . 1 . . . . 17 . . . 6235 3 17 . 3 3 8 8 ALA N N 15 121.600 0.15 . 1 . . . . 18 . . . 6235 3 18 . 3 3 8 8 ALA H H 1 8.260 0.03 . 1 . . . . 18 . . . 6235 3 19 . 3 3 8 8 ALA CA C 13 55.400 0.12 . 1 . . . . 18 . . . 6235 3 20 . 3 3 9 9 ASP N N 15 118.200 0.15 . 1 . . . . 19 . . . 6235 3 21 . 3 3 9 9 ASP H H 1 8.210 0.03 . 1 . . . . 19 . . . 6235 3 22 . 3 3 9 9 ASP CA C 13 57.500 0.12 . 1 . . . . 19 . . . 6235 3 23 . 3 3 10 10 GLN N N 15 119.500 0.15 . 1 . . . . 20 . . . 6235 3 24 . 3 3 10 10 GLN H H 1 8.020 0.03 . 1 . . . . 20 . . . 6235 3 25 . 3 3 10 10 GLN CA C 13 58.900 0.12 . 1 . . . . 20 . . . 6235 3 26 . 3 3 11 11 LEU N N 15 118.900 0.15 . 1 . . . . 21 . . . 6235 3 27 . 3 3 11 11 LEU H H 1 8.370 0.03 . 1 . . . . 21 . . . 6235 3 28 . 3 3 11 11 LEU CA C 13 57.500 0.12 . 1 . . . . 21 . . . 6235 3 29 . 3 3 12 12 ALA N N 15 123.200 0.15 . 1 . . . . 22 . . . 6235 3 30 . 3 3 12 12 ALA H H 1 8.350 0.03 . 1 . . . . 22 . . . 6235 3 31 . 3 3 12 12 ALA CA C 13 55.700 0.12 . 1 . . . . 22 . . . 6235 3 32 . 3 3 13 13 ASP N N 15 120.200 0.15 . 1 . . . . 23 . . . 6235 3 33 . 3 3 13 13 ASP H H 1 8.220 0.03 . 1 . . . . 23 . . . 6235 3 34 . 3 3 13 13 ASP CA C 13 57.800 0.12 . 1 . . . . 23 . . . 6235 3 35 . 3 3 14 14 GLU N N 15 120.200 0.15 . 1 . . . . 24 . . . 6235 3 36 . 3 3 14 14 GLU H H 1 8.390 0.03 . 1 . . . . 24 . . . 6235 3 37 . 3 3 14 14 GLU CA C 13 59.600 0.12 . 1 . . . . 24 . . . 6235 3 38 . 3 3 15 15 SER N N 15 119.700 0.15 . 1 . . . . 25 . . . 6235 3 39 . 3 3 15 15 SER H H 1 8.950 0.03 . 1 . . . . 25 . . . 6235 3 40 . 3 3 15 15 SER CA C 13 62.700 0.12 . 1 . . . . 25 . . . 6235 3 41 . 3 3 16 16 LEU N N 15 123.000 0.15 . 1 . . . . 26 . . . 6235 3 42 . 3 3 16 16 LEU H H 1 8.220 0.03 . 1 . . . . 26 . . . 6235 3 43 . 3 3 16 16 LEU CA C 13 58.500 0.12 . 1 . . . . 26 . . . 6235 3 44 . 3 3 17 17 GLU N N 15 120.700 0.15 . 1 . . . . 27 . . . 6235 3 45 . 3 3 17 17 GLU H H 1 8.550 0.03 . 1 . . . . 27 . . . 6235 3 46 . 3 3 17 17 GLU CA C 13 59.600 0.12 . 1 . . . . 27 . . . 6235 3 47 . 3 3 18 18 SER N N 15 113.800 0.15 . 1 . . . . 28 . . . 6235 3 48 . 3 3 18 18 SER H H 1 8.060 0.03 . 1 . . . . 28 . . . 6235 3 49 . 3 3 18 18 SER CA C 13 62.400 0.12 . 1 . . . . 28 . . . 6235 3 50 . 3 3 19 19 THR N N 15 108.600 0.15 . 1 . . . . 29 . . . 6235 3 51 . 3 3 19 19 THR H H 1 8.050 0.03 . 1 . . . . 29 . . . 6235 3 52 . 3 3 19 19 THR CA C 13 65.900 0.12 . 1 . . . . 29 . . . 6235 3 53 . 3 3 20 20 ARG N N 15 121.400 0.15 . 1 . . . . 30 . . . 6235 3 54 . 3 3 20 20 ARG H H 1 7.580 0.03 . 1 . . . . 30 . . . 6235 3 55 . 3 3 20 20 ARG CA C 13 59.900 0.12 . 1 . . . . 30 . . . 6235 3 56 . 3 3 21 21 ARG N N 15 121.100 0.15 . 1 . . . . 31 . . . 6235 3 57 . 3 3 21 21 ARG H H 1 8.210 0.03 . 1 . . . . 31 . . . 6235 3 58 . 3 3 21 21 ARG CA C 13 60.200 0.12 . 1 . . . . 31 . . . 6235 3 59 . 3 3 22 22 MET N N 15 116.600 0.15 . 1 . . . . 32 . . . 6235 3 60 . 3 3 22 22 MET H H 1 8.830 0.03 . 1 . . . . 32 . . . 6235 3 61 . 3 3 22 22 MET CA C 13 60.300 0.12 . 1 . . . . 32 . . . 6235 3 62 . 3 3 23 23 LEU N N 15 118.300 0.15 . 1 . . . . 33 . . . 6235 3 63 . 3 3 23 23 LEU H H 1 7.400 0.03 . 1 . . . . 33 . . . 6235 3 64 . 3 3 23 23 LEU CA C 13 57.800 0.12 . 1 . . . . 33 . . . 6235 3 65 . 3 3 24 24 GLN N N 15 118.000 0.15 . 1 . . . . 34 . . . 6235 3 66 . 3 3 24 24 GLN H H 1 7.240 0.03 . 1 . . . . 34 . . . 6235 3 67 . 3 3 24 24 GLN CA C 13 59.100 0.12 . 1 . . . . 34 . . . 6235 3 68 . 3 3 25 25 LEU N N 15 117.600 0.15 . 1 . . . . 35 . . . 6235 3 69 . 3 3 25 25 LEU H H 1 8.340 0.03 . 1 . . . . 35 . . . 6235 3 70 . 3 3 25 25 LEU CA C 13 57.900 0.12 . 1 . . . . 35 . . . 6235 3 71 . 3 3 26 26 VAL N N 15 116.200 0.15 . 1 . . . . 36 . . . 6235 3 72 . 3 3 26 26 VAL H H 1 8.910 0.03 . 1 . . . . 36 . . . 6235 3 73 . 3 3 26 26 VAL CA C 13 65.800 0.12 . 1 . . . . 36 . . . 6235 3 74 . 3 3 27 27 GLU N N 15 124.500 0.15 . 1 . . . . 37 . . . 6235 3 75 . 3 3 27 27 GLU H H 1 8.210 0.03 . 1 . . . . 37 . . . 6235 3 76 . 3 3 27 27 GLU CA C 13 60.300 0.12 . 1 . . . . 37 . . . 6235 3 77 . 3 3 28 28 GLU N N 15 118.500 0.15 . 1 . . . . 38 . . . 6235 3 78 . 3 3 28 28 GLU H H 1 8.190 0.03 . 1 . . . . 38 . . . 6235 3 79 . 3 3 28 28 GLU CA C 13 59.600 0.12 . 1 . . . . 38 . . . 6235 3 80 . 3 3 29 29 SER N N 15 115.400 0.15 . 1 . . . . 39 . . . 6235 3 81 . 3 3 29 29 SER H H 1 7.830 0.03 . 1 . . . . 39 . . . 6235 3 82 . 3 3 29 29 SER CA C 13 62.900 0.12 . 1 . . . . 39 . . . 6235 3 83 . 3 3 30 30 LYS N N 15 122.500 0.15 . 1 . . . . 40 . . . 6235 3 84 . 3 3 30 30 LYS H H 1 8.030 0.03 . 1 . . . . 40 . . . 6235 3 85 . 3 3 30 30 LYS CA C 13 59.400 0.12 . 1 . . . . 40 . . . 6235 3 86 . 3 3 31 31 ASP N N 15 118.600 0.15 . 1 . . . . 41 . . . 6235 3 87 . 3 3 31 31 ASP H H 1 7.720 0.03 . 1 . . . . 41 . . . 6235 3 88 . 3 3 31 31 ASP CA C 13 57.800 0.12 . 1 . . . . 41 . . . 6235 3 89 . 3 3 32 32 ALA N N 15 121.900 0.15 . 1 . . . . 42 . . . 6235 3 90 . 3 3 32 32 ALA H H 1 7.980 0.03 . 1 . . . . 42 . . . 6235 3 91 . 3 3 32 32 ALA CA C 13 55.200 0.12 . 1 . . . . 42 . . . 6235 3 92 . 3 3 33 33 GLY N N 15 110.800 0.15 . 1 . . . . 43 . . . 6235 3 93 . 3 3 33 33 GLY H H 1 9.110 0.03 . 1 . . . . 43 . . . 6235 3 94 . 3 3 33 33 GLY CA C 13 48.100 0.12 . 1 . . . . 43 . . . 6235 3 95 . 3 3 34 34 ILE N N 15 122.800 0.15 . 1 . . . . 44 . . . 6235 3 96 . 3 3 34 34 ILE H H 1 8.500 0.03 . 1 . . . . 44 . . . 6235 3 97 . 3 3 34 34 ILE CA C 13 65.300 0.12 . 1 . . . . 44 . . . 6235 3 98 . 3 3 35 35 ARG N N 15 117.800 0.15 . 1 . . . . 45 . . . 6235 3 99 . 3 3 35 35 ARG H H 1 8.000 0.03 . 1 . . . . 45 . . . 6235 3 100 . 3 3 35 35 ARG CA C 13 59.500 0.12 . 1 . . . . 45 . . . 6235 3 101 . 3 3 36 36 THR N N 15 116.900 0.15 . 1 . . . . 46 . . . 6235 3 102 . 3 3 36 36 THR H H 1 8.360 0.03 . 1 . . . . 46 . . . 6235 3 103 . 3 3 36 36 THR CA C 13 68.000 0.12 . 1 . . . . 46 . . . 6235 3 104 . 3 3 37 37 LEU N N 15 122.600 0.15 . 1 . . . . 47 . . . 6235 3 105 . 3 3 37 37 LEU H H 1 8.260 0.03 . 1 . . . . 47 . . . 6235 3 106 . 3 3 37 37 LEU CA C 13 59.000 0.12 . 1 . . . . 47 . . . 6235 3 107 . 3 3 38 38 VAL N N 15 120.600 0.15 . 1 . . . . 48 . . . 6235 3 108 . 3 3 38 38 VAL H H 1 8.200 0.03 . 1 . . . . 48 . . . 6235 3 109 . 3 3 38 38 VAL CA C 13 66.800 0.12 . 1 . . . . 48 . . . 6235 3 110 . 3 3 39 39 MET N N 15 118.800 0.15 . 1 . . . . 49 . . . 6235 3 111 . 3 3 39 39 MET H H 1 8.200 0.03 . 1 . . . . 49 . . . 6235 3 112 . 3 3 39 39 MET CA C 13 59.900 0.12 . 1 . . . . 49 . . . 6235 3 113 . 3 3 40 40 LEU N N 15 118.000 0.15 . 1 . . . . 50 . . . 6235 3 114 . 3 3 40 40 LEU H H 1 8.850 0.03 . 1 . . . . 50 . . . 6235 3 115 . 3 3 40 40 LEU CA C 13 58.500 0.12 . 1 . . . . 50 . . . 6235 3 116 . 3 3 41 41 ASP N N 15 120.900 0.15 . 1 . . . . 51 . . . 6235 3 117 . 3 3 41 41 ASP H H 1 7.950 0.03 . 1 . . . . 51 . . . 6235 3 118 . 3 3 41 41 ASP CA C 13 57.400 0.12 . 1 . . . . 51 . . . 6235 3 119 . 3 3 42 42 GLU N N 15 121.200 0.15 . 1 . . . . 52 . . . 6235 3 120 . 3 3 42 42 GLU H H 1 8.320 0.03 . 1 . . . . 52 . . . 6235 3 121 . 3 3 42 42 GLU CA C 13 59.800 0.12 . 1 . . . . 52 . . . 6235 3 122 . 3 3 43 43 GLN N N 15 119.700 0.15 . 1 . . . . 53 . . . 6235 3 123 . 3 3 43 43 GLN H H 1 9.100 0.03 . 1 . . . . 53 . . . 6235 3 124 . 3 3 43 43 GLN CA C 13 58.200 0.12 . 1 . . . . 53 . . . 6235 3 125 . 3 3 44 44 GLY N N 15 108.600 0.15 . 1 . . . . 54 . . . 6235 3 126 . 3 3 44 44 GLY H H 1 8.590 0.03 . 1 . . . . 54 . . . 6235 3 127 . 3 3 44 44 GLY CA C 13 47.300 0.12 . 1 . . . . 54 . . . 6235 3 128 . 3 3 45 45 GLU N N 15 122.100 0.15 . 1 . . . . 55 . . . 6235 3 129 . 3 3 45 45 GLU H H 1 7.640 0.03 . 1 . . . . 55 . . . 6235 3 130 . 3 3 45 45 GLU CA C 13 59.500 0.12 . 1 . . . . 55 . . . 6235 3 131 . 3 3 46 46 GLN N N 15 118.400 0.15 . 1 . . . . 56 . . . 6235 3 132 . 3 3 46 46 GLN H H 1 7.470 0.03 . 1 . . . . 56 . . . 6235 3 133 . 3 3 46 46 GLN CA C 13 59.800 0.12 . 1 . . . . 56 . . . 6235 3 134 . 3 3 47 47 LEU N N 15 119.000 0.15 . 1 . . . . 57 . . . 6235 3 135 . 3 3 47 47 LEU H H 1 8.500 0.03 . 1 . . . . 57 . . . 6235 3 136 . 3 3 47 47 LEU CA C 13 58.300 0.12 . 1 . . . . 57 . . . 6235 3 137 . 3 3 48 48 ASP N N 15 119.700 0.15 . 1 . . . . 58 . . . 6235 3 138 . 3 3 48 48 ASP H H 1 8.110 0.03 . 1 . . . . 58 . . . 6235 3 139 . 3 3 48 48 ASP CA C 13 57.800 0.12 . 1 . . . . 58 . . . 6235 3 140 . 3 3 49 49 ARG N N 15 120.900 0.15 . 1 . . . . 59 . . . 6235 3 141 . 3 3 49 49 ARG H H 1 7.760 0.03 . 1 . . . . 59 . . . 6235 3 142 . 3 3 49 49 ARG CA C 13 60.100 0.12 . 1 . . . . 59 . . . 6235 3 143 . 3 3 50 50 VAL N N 15 123.000 0.15 . 1 . . . . 60 . . . 6235 3 144 . 3 3 50 50 VAL H H 1 8.660 0.03 . 1 . . . . 60 . . . 6235 3 145 . 3 3 50 50 VAL CA C 13 66.400 0.12 . 1 . . . . 60 . . . 6235 3 146 . 3 3 51 51 GLU N N 15 122.100 0.15 . 1 . . . . 61 . . . 6235 3 147 . 3 3 51 51 GLU H H 1 8.950 0.03 . 1 . . . . 61 . . . 6235 3 148 . 3 3 51 51 GLU CA C 13 61.300 0.12 . 1 . . . . 61 . . . 6235 3 149 . 3 3 52 52 GLU N N 15 119.000 0.15 . 1 . . . . 62 . . . 6235 3 150 . 3 3 52 52 GLU H H 1 8.320 0.03 . 1 . . . . 62 . . . 6235 3 151 . 3 3 52 52 GLU CA C 13 59.100 0.12 . 1 . . . . 62 . . . 6235 3 152 . 3 3 53 53 GLY N N 15 109.300 0.15 . 1 . . . . 63 . . . 6235 3 153 . 3 3 53 53 GLY H H 1 8.430 0.03 . 1 . . . . 63 . . . 6235 3 154 . 3 3 53 53 GLY CA C 13 47.500 0.12 . 1 . . . . 63 . . . 6235 3 155 . 3 3 54 54 MET N N 15 118.100 0.15 . 1 . . . . 64 . . . 6235 3 156 . 3 3 54 54 MET H H 1 8.350 0.03 . 1 . . . . 64 . . . 6235 3 157 . 3 3 54 54 MET CA C 13 56.900 0.12 . 1 . . . . 64 . . . 6235 3 158 . 3 3 55 55 ASN N N 15 121.100 0.15 . 1 . . . . 65 . . . 6235 3 159 . 3 3 55 55 ASN H H 1 8.330 0.03 . 1 . . . . 65 . . . 6235 3 160 . 3 3 55 55 ASN CA C 13 55.600 0.12 . 1 . . . . 65 . . . 6235 3 161 . 3 3 56 56 HIS N N 15 122.800 0.15 . 1 . . . . 66 . . . 6235 3 162 . 3 3 56 56 HIS H H 1 8.770 0.03 . 1 . . . . 66 . . . 6235 3 163 . 3 3 56 56 HIS CA C 13 59.100 0.12 . 1 . . . . 66 . . . 6235 3 164 . 3 3 57 57 ILE N N 15 119.300 0.15 . 1 . . . . 67 . . . 6235 3 165 . 3 3 57 57 ILE H H 1 8.450 0.03 . 1 . . . . 67 . . . 6235 3 166 . 3 3 57 57 ILE CA C 13 65.500 0.12 . 1 . . . . 67 . . . 6235 3 167 . 3 3 58 58 ASN N N 15 118.000 0.15 . 1 . . . . 68 . . . 6235 3 168 . 3 3 58 58 ASN H H 1 7.670 0.03 . 1 . . . . 68 . . . 6235 3 169 . 3 3 58 58 ASN CA C 13 57.900 0.12 . 1 . . . . 68 . . . 6235 3 170 . 3 3 59 59 GLN N N 15 116.700 0.15 . 1 . . . . 69 . . . 6235 3 171 . 3 3 59 59 GLN H H 1 7.900 0.03 . 1 . . . . 69 . . . 6235 3 172 . 3 3 59 59 GLN CA C 13 58.800 0.12 . 1 . . . . 69 . . . 6235 3 173 . 3 3 60 60 ASP N N 15 121.600 0.15 . 1 . . . . 70 . . . 6235 3 174 . 3 3 60 60 ASP H H 1 8.540 0.03 . 1 . . . . 70 . . . 6235 3 175 . 3 3 60 60 ASP CA C 13 57.400 0.12 . 1 . . . . 70 . . . 6235 3 176 . 3 3 61 61 MET N N 15 117.100 0.15 . 1 . . . . 71 . . . 6235 3 177 . 3 3 61 61 MET H H 1 8.770 0.03 . 1 . . . . 71 . . . 6235 3 178 . 3 3 61 61 MET CA C 13 55.200 0.12 . 1 . . . . 71 . . . 6235 3 179 . 3 3 62 62 LYS N N 15 120.900 0.15 . 1 . . . . 72 . . . 6235 3 180 . 3 3 62 62 LYS H H 1 7.760 0.03 . 1 . . . . 72 . . . 6235 3 181 . 3 3 62 62 LYS CA C 13 60.100 0.12 . 1 . . . . 72 . . . 6235 3 182 . 3 3 63 63 GLU N N 15 119.900 0.15 . 1 . . . . 73 . . . 6235 3 183 . 3 3 63 63 GLU H H 1 7.440 0.03 . 1 . . . . 73 . . . 6235 3 184 . 3 3 63 63 GLU CA C 13 58.800 0.12 . 1 . . . . 73 . . . 6235 3 185 . 3 3 64 64 ALA N N 15 121.100 0.15 . 1 . . . . 74 . . . 6235 3 186 . 3 3 64 64 ALA H H 1 8.510 0.03 . 1 . . . . 74 . . . 6235 3 187 . 3 3 64 64 ALA CA C 13 55.300 0.12 . 1 . . . . 74 . . . 6235 3 188 . 3 3 65 65 GLU N N 15 115.500 0.15 . 1 . . . . 75 . . . 6235 3 189 . 3 3 65 65 GLU H H 1 8.310 0.03 . 1 . . . . 75 . . . 6235 3 190 . 3 3 65 65 GLU CA C 13 59.700 0.12 . 1 . . . . 75 . . . 6235 3 191 . 3 3 66 66 LYS N N 15 120.000 0.15 . 1 . . . . 76 . . . 6235 3 192 . 3 3 66 66 LYS H H 1 7.470 0.03 . 1 . . . . 76 . . . 6235 3 193 . 3 3 66 66 LYS CA C 13 59.400 0.12 . 1 . . . . 76 . . . 6235 3 194 . 3 3 67 67 ASN N N 15 118.600 0.15 . 1 . . . . 77 . . . 6235 3 195 . 3 3 67 67 ASN H H 1 8.400 0.03 . 1 . . . . 77 . . . 6235 3 196 . 3 3 67 67 ASN CA C 13 55.400 0.12 . 1 . . . . 77 . . . 6235 3 197 . 3 3 68 68 LEU N N 15 118.600 0.15 . 1 . . . . 78 . . . 6235 3 198 . 3 3 68 68 LEU H H 1 8.360 0.03 . 1 . . . . 78 . . . 6235 3 199 . 3 3 68 68 LEU CA C 13 57.400 0.12 . 1 . . . . 78 . . . 6235 3 200 . 3 3 69 69 LYS N N 15 119.700 0.15 . 1 . . . . 79 . . . 6235 3 201 . 3 3 69 69 LYS H H 1 7.710 0.03 . 1 . . . . 79 . . . 6235 3 202 . 3 3 69 69 LYS CA C 13 59.000 0.12 . 1 . . . . 79 . . . 6235 3 203 . 3 3 70 70 ASP N N 15 119.500 0.15 . 1 . . . . 80 . . . 6235 3 204 . 3 3 70 70 ASP H H 1 8.100 0.03 . 1 . . . . 80 . . . 6235 3 205 . 3 3 70 70 ASP CA C 13 56.000 0.12 . 1 . . . . 80 . . . 6235 3 206 . 3 3 71 71 LEU N N 15 119.300 0.15 . 1 . . . . 81 . . . 6235 3 207 . 3 3 71 71 LEU H H 1 7.590 0.03 . 1 . . . . 81 . . . 6235 3 208 . 3 3 71 71 LEU CA C 13 55.800 0.12 . 1 . . . . 81 . . . 6235 3 209 . 3 3 72 72 GLY N N 15 105.8 0.15 . 1 . . . . 82 . . . 6235 3 210 . 3 3 72 72 GLY H H 1 7.770 0.03 . 1 . . . . 82 . . . 6235 3 211 . 3 3 72 72 GLY CA C 13 45.500 0.12 . 1 . . . . 82 . . . 6235 3 212 . 3 3 73 73 TRP N N 15 126.300 0.15 . 1 . . . . 83 . . . 6235 3 213 . 3 3 73 73 TRP H H 1 7.600 0.03 . 1 . . . . 83 . . . 6235 3 214 . 3 3 73 73 TRP CA C 13 58.300 0.12 . 1 . . . . 83 . . . 6235 3 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_nmr_parameters_4 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode nmr_parameters_4 _Assigned_chem_shift_list.Entry_ID 6235 _Assigned_chem_shift_list.ID 4 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $Ex-cond_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _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 $sample_1 . 6235 4 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 4 4 3 3 GLU N N 15 119.400 0.15 . 1 . . . . 143 . . . 6235 4 2 . 4 4 3 3 GLU H H 1 7.960 0.03 . 1 . . . . 143 . . . 6235 4 3 . 4 4 3 3 GLU CA C 13 59.200 0.12 . 1 . . . . 143 . . . 6235 4 4 . 4 4 4 4 ASN N N 15 117.400 0.15 . 1 . . . . 144 . . . 6235 4 5 . 4 4 4 4 ASN H H 1 8.420 0.03 . 1 . . . . 144 . . . 6235 4 6 . 4 4 4 4 ASN CA C 13 55.500 0.12 . 1 . . . . 144 . . . 6235 4 7 . 4 4 5 5 GLU N N 15 120.800 0.15 . 1 . . . . 145 . . . 6235 4 8 . 4 4 5 5 GLU H H 1 8.050 0.03 . 1 . . . . 145 . . . 6235 4 9 . 4 4 5 5 GLU CA C 13 59.300 0.12 . 1 . . . . 145 . . . 6235 4 10 . 4 4 6 6 MET N N 15 118.300 0.15 . 1 . . . . 146 . . . 6235 4 11 . 4 4 6 6 MET H H 1 8.220 0.03 . 1 . . . . 146 . . . 6235 4 12 . 4 4 6 6 MET CA C 13 60.200 0.12 . 1 . . . . 146 . . . 6235 4 13 . 4 4 7 7 ASP N N 15 117.800 0.15 . 1 . . . . 147 . . . 6235 4 14 . 4 4 7 7 ASP H H 1 7.900 0.03 . 1 . . . . 147 . . . 6235 4 15 . 4 4 7 7 ASP CA C 13 57.800 0.12 . 1 . . . . 147 . . . 6235 4 16 . 4 4 8 8 GLU N N 15 120.600 0.15 . 1 . . . . 148 . . . 6235 4 17 . 4 4 8 8 GLU H H 1 8.110 0.03 . 1 . . . . 148 . . . 6235 4 18 . 4 4 8 8 GLU CA C 13 59.300 0.12 . 1 . . . . 148 . . . 6235 4 19 . 4 4 9 9 ASN N N 15 120.000 0.15 . 1 . . . . 149 . . . 6235 4 20 . 4 4 9 9 ASN H H 1 9.020 0.03 . 1 . . . . 149 . . . 6235 4 21 . 4 4 9 9 ASN CA C 13 55.800 0.12 . 1 . . . . 149 . . . 6235 4 22 . 4 4 10 10 LEU N N 15 119.600 0.15 . 1 . . . . 150 . . . 6235 4 23 . 4 4 10 10 LEU H H 1 8.360 0.03 . 1 . . . . 150 . . . 6235 4 24 . 4 4 10 10 LEU CA C 13 58.200 0.12 . 1 . . . . 150 . . . 6235 4 25 . 4 4 11 11 GLU N N 15 121.600 0.15 . 1 . . . . 151 . . . 6235 4 26 . 4 4 11 11 GLU H H 1 8.310 0.03 . 1 . . . . 151 . . . 6235 4 27 . 4 4 11 11 GLU CA C 13 59.600 0.12 . 1 . . . . 151 . . . 6235 4 28 . 4 4 12 12 GLN N N 15 120.500 0.15 . 1 . . . . 152 . . . 6235 4 29 . 4 4 12 12 GLN H H 1 8.170 0.03 . 1 . . . . 152 . . . 6235 4 30 . 4 4 12 12 GLN CA C 13 59.000 0.12 . 1 . . . . 152 . . . 6235 4 31 . 4 4 13 13 VAL N N 15 120.000 0.15 . 1 . . . . 153 . . . 6235 4 32 . 4 4 13 13 VAL H H 1 8.690 0.03 . 1 . . . . 153 . . . 6235 4 33 . 4 4 13 13 VAL CA C 13 67.100 0.12 . 1 . . . . 153 . . . 6235 4 34 . 4 4 14 14 SER N N 15 112.600 0.15 . 1 . . . . 154 . . . 6235 4 35 . 4 4 14 14 SER H H 1 8.320 0.03 . 1 . . . . 154 . . . 6235 4 36 . 4 4 14 14 SER CA C 13 61.800 0.12 . 1 . . . . 154 . . . 6235 4 37 . 4 4 15 15 GLY N N 15 107.3 0.15 . 1 . . . . 155 . . . 6235 4 38 . 4 4 15 15 GLY H H 1 8.060 0.03 . 1 . . . . 155 . . . 6235 4 39 . 4 4 15 15 GLY CA C 13 47.100 0.12 . 1 . . . . 155 . . . 6235 4 40 . 4 4 16 16 ILE N N 15 122.900 0.15 . 1 . . . . 156 . . . 6235 4 41 . 4 4 16 16 ILE H H 1 8.090 0.03 . 1 . . . . 156 . . . 6235 4 42 . 4 4 16 16 ILE CA C 13 64.900 0.12 . 1 . . . . 156 . . . 6235 4 43 . 4 4 17 17 ILE N N 15 120.900 0.15 . 1 . . . . 157 . . . 6235 4 44 . 4 4 17 17 ILE H H 1 8.790 0.03 . 1 . . . . 157 . . . 6235 4 45 . 4 4 17 17 ILE CA C 13 63.900 0.12 . 1 . . . . 157 . . . 6235 4 46 . 4 4 18 18 GLY N N 15 105.8 0.15 . 1 . . . . 158 . . . 6235 4 47 . 4 4 18 18 GLY H H 1 7.790 0.03 . 1 . . . . 158 . . . 6235 4 48 . 4 4 18 18 GLY CA C 13 47.400 0.12 . 1 . . . . 158 . . . 6235 4 49 . 4 4 19 19 ASN N N 15 120.500 0.15 . 1 . . . . 159 . . . 6235 4 50 . 4 4 19 19 ASN H H 1 7.470 0.03 . 1 . . . . 159 . . . 6235 4 51 . 4 4 19 19 ASN CA C 13 56.300 0.12 . 1 . . . . 159 . . . 6235 4 52 . 4 4 20 20 LEU N N 15 120.000 0.15 . 1 . . . . 160 . . . 6235 4 53 . 4 4 20 20 LEU H H 1 8.820 0.03 . 1 . . . . 160 . . . 6235 4 54 . 4 4 20 20 LEU CA C 13 58.000 0.12 . 1 . . . . 160 . . . 6235 4 55 . 4 4 21 21 ARG N N 15 119.600 0.15 . 1 . . . . 161 . . . 6235 4 56 . 4 4 21 21 ARG H H 1 8.700 0.03 . 1 . . . . 161 . . . 6235 4 57 . 4 4 21 21 ARG CA C 13 60.500 0.12 . 1 . . . . 161 . . . 6235 4 58 . 4 4 22 22 HIS N N 15 116.500 0.15 . 1 . . . . 162 . . . 6235 4 59 . 4 4 22 22 HIS H H 1 7.320 0.03 . 1 . . . . 162 . . . 6235 4 60 . 4 4 22 22 HIS CA C 13 59.900 0.12 . 1 . . . . 162 . . . 6235 4 61 . 4 4 23 23 MET N N 15 117.300 0.15 . 1 . . . . 163 . . . 6235 4 62 . 4 4 23 23 MET H H 1 8.320 0.03 . 1 . . . . 163 . . . 6235 4 63 . 4 4 23 23 MET CA C 13 59.800 0.12 . 1 . . . . 163 . . . 6235 4 64 . 4 4 24 24 ALA N N 15 121.700 0.15 . 1 . . . . 164 . . . 6235 4 65 . 4 4 24 24 ALA H H 1 9.000 0.03 . 1 . . . . 164 . . . 6235 4 66 . 4 4 24 24 ALA CA C 13 55.200 0.12 . 1 . . . . 164 . . . 6235 4 67 . 4 4 25 25 LEU N N 15 121.000 0.15 . 1 . . . . 165 . . . 6235 4 68 . 4 4 25 25 LEU H H 1 8.300 0.03 . 1 . . . . 165 . . . 6235 4 69 . 4 4 25 25 LEU CA C 13 57.900 0.12 . 1 . . . . 165 . . . 6235 4 70 . 4 4 26 26 ASP N N 15 121.600 0.15 . 1 . . . . 166 . . . 6235 4 71 . 4 4 26 26 ASP H H 1 8.390 0.03 . 1 . . . . 166 . . . 6235 4 72 . 4 4 26 26 ASP CA C 13 57.800 0.12 . 1 . . . . 166 . . . 6235 4 73 . 4 4 27 27 MET N N 15 119.000 0.15 . 1 . . . . 167 . . . 6235 4 74 . 4 4 27 27 MET H H 1 8.940 0.03 . 1 . . . . 167 . . . 6235 4 75 . 4 4 27 27 MET CA C 13 59.600 0.12 . 1 . . . . 167 . . . 6235 4 76 . 4 4 28 28 GLY N N 15 105.8 0.15 . 1 . . . . 168 . . . 6235 4 77 . 4 4 28 28 GLY H H 1 7.730 0.03 . 1 . . . . 168 . . . 6235 4 78 . 4 4 28 28 GLY CA C 13 48.400 0.12 . 1 . . . . 168 . . . 6235 4 79 . 4 4 29 29 ASN N N 15 118.800 0.15 . 1 . . . . 169 . . . 6235 4 80 . 4 4 29 29 ASN H H 1 7.760 0.03 . 1 . . . . 169 . . . 6235 4 81 . 4 4 29 29 ASN CA C 13 56.400 0.12 . 1 . . . . 169 . . . 6235 4 82 . 4 4 30 30 GLU N N 15 121.600 0.15 . 1 . . . . 170 . . . 6235 4 83 . 4 4 30 30 GLU H H 1 8.260 0.03 . 1 . . . . 170 . . . 6235 4 84 . 4 4 30 30 GLU CA C 13 58.800 0.12 . 1 . . . . 170 . . . 6235 4 85 . 4 4 31 31 ILE N N 15 119.000 0.15 . 1 . . . . 171 . . . 6235 4 86 . 4 4 31 31 ILE H H 1 8.590 0.03 . 1 . . . . 171 . . . 6235 4 87 . 4 4 31 31 ILE CA C 13 66.100 0.12 . 1 . . . . 171 . . . 6235 4 88 . 4 4 32 32 ASP N N 15 119.300 0.15 . 1 . . . . 172 . . . 6235 4 89 . 4 4 32 32 ASP H H 1 8.310 0.03 . 1 . . . . 172 . . . 6235 4 90 . 4 4 32 32 ASP CA C 13 58.100 0.12 . 1 . . . . 172 . . . 6235 4 91 . 4 4 33 33 THR N N 15 116.300 0.15 . 1 . . . . 173 . . . 6235 4 92 . 4 4 33 33 THR H H 1 8.080 0.03 . 1 . . . . 173 . . . 6235 4 93 . 4 4 33 33 THR CA C 13 66.800 0.12 . 1 . . . . 173 . . . 6235 4 94 . 4 4 34 34 GLN N N 15 122.600 0.15 . 1 . . . . 174 . . . 6235 4 95 . 4 4 34 34 GLN H H 1 8.520 0.03 . 1 . . . . 174 . . . 6235 4 96 . 4 4 34 34 GLN CA C 13 59.900 0.12 . 1 . . . . 174 . . . 6235 4 97 . 4 4 35 35 ASN N N 15 121.300 0.15 . 1 . . . . 175 . . . 6235 4 98 . 4 4 35 35 ASN H H 1 8.980 0.03 . 1 . . . . 175 . . . 6235 4 99 . 4 4 35 35 ASN CA C 13 56.100 0.12 . 1 . . . . 175 . . . 6235 4 100 . 4 4 36 36 ARG N N 15 118.100 0.15 . 1 . . . . 176 . . . 6235 4 101 . 4 4 36 36 ARG H H 1 7.550 0.03 . 1 . . . . 176 . . . 6235 4 102 . 4 4 36 36 ARG CA C 13 59.100 0.12 . 1 . . . . 176 . . . 6235 4 103 . 4 4 37 37 GLN N N 15 122.100 0.15 . 1 . . . . 177 . . . 6235 4 104 . 4 4 37 37 GLN H H 1 7.930 0.03 . 1 . . . . 177 . . . 6235 4 105 . 4 4 37 37 GLN CA C 13 59.200 0.12 . 1 . . . . 177 . . . 6235 4 106 . 4 4 38 38 ILE N N 15 121.600 0.15 . 1 . . . . 178 . . . 6235 4 107 . 4 4 38 38 ILE H H 1 9.420 0.03 . 1 . . . . 178 . . . 6235 4 108 . 4 4 38 38 ILE CA C 13 66.700 0.12 . 1 . . . . 178 . . . 6235 4 109 . 4 4 39 39 ASP N N 15 119.700 0.15 . 1 . . . . 179 . . . 6235 4 110 . 4 4 39 39 ASP H H 1 7.860 0.03 . 1 . . . . 179 . . . 6235 4 111 . 4 4 39 39 ASP CA C 13 58.100 0.12 . 1 . . . . 179 . . . 6235 4 112 . 4 4 40 40 ARG N N 15 121.300 0.15 . 1 . . . . 180 . . . 6235 4 113 . 4 4 40 40 ARG H H 1 7.680 0.03 . 1 . . . . 180 . . . 6235 4 114 . 4 4 40 40 ARG CA C 13 59.800 0.12 . 1 . . . . 180 . . . 6235 4 115 . 4 4 41 41 ILE N N 15 120.400 0.15 . 1 . . . . 181 . . . 6235 4 116 . 4 4 41 41 ILE H H 1 9.000 0.03 . 1 . . . . 181 . . . 6235 4 117 . 4 4 41 41 ILE CA C 13 66.300 0.12 . 1 . . . . 181 . . . 6235 4 118 . 4 4 42 42 MET N N 15 120.000 0.15 . 1 . . . . 182 . . . 6235 4 119 . 4 4 42 42 MET H H 1 9.020 0.03 . 1 . . . . 182 . . . 6235 4 120 . 4 4 42 42 MET CA C 13 59.400 0.12 . 1 . . . . 182 . . . 6235 4 121 . 4 4 43 43 GLU N N 15 119.300 0.15 . 1 . . . . 183 . . . 6235 4 122 . 4 4 43 43 GLU H H 1 7.670 0.03 . 1 . . . . 183 . . . 6235 4 123 . 4 4 43 43 GLU CA C 13 59.500 0.12 . 1 . . . . 183 . . . 6235 4 124 . 4 4 47 47 SER N N 15 115.100 0.15 . 1 . . . . 187 . . . 6235 4 125 . 4 4 47 47 SER H H 1 7.990 0.03 . 1 . . . . 187 . . . 6235 4 126 . 4 4 47 47 SER CA C 13 61.300 0.12 . 1 . . . . 187 . . . 6235 4 127 . 4 4 48 48 ASN N N 15 118.300 0.15 . 1 . . . . 188 . . . 6235 4 128 . 4 4 48 48 ASN H H 1 8.620 0.03 . 1 . . . . 188 . . . 6235 4 129 . 4 4 48 48 ASN CA C 13 55.700 0.12 . 1 . . . . 188 . . . 6235 4 130 . 4 4 49 49 LYS N N 15 121.800 0.15 . 1 . . . . 189 . . . 6235 4 131 . 4 4 49 49 LYS H H 1 8.720 0.03 . 1 . . . . 189 . . . 6235 4 132 . 4 4 49 49 LYS CA C 13 59.900 0.12 . 1 . . . . 189 . . . 6235 4 133 . 4 4 50 50 THR N N 15 115.500 0.15 . 1 . . . . 190 . . . 6235 4 134 . 4 4 50 50 THR H H 1 8.100 0.03 . 1 . . . . 190 . . . 6235 4 135 . 4 4 50 50 THR CA C 13 66.600 0.12 . 1 . . . . 190 . . . 6235 4 136 . 4 4 51 51 ARG N N 15 120.000 0.15 . 1 . . . . 191 . . . 6235 4 137 . 4 4 51 51 ARG H H 1 7.860 0.03 . 1 . . . . 191 . . . 6235 4 138 . 4 4 51 51 ARG CA C 13 59.400 0.12 . 1 . . . . 191 . . . 6235 4 139 . 4 4 52 52 ILE N N 15 122.200 0.15 . 1 . . . . 192 . . . 6235 4 140 . 4 4 52 52 ILE H H 1 8.480 0.03 . 1 . . . . 192 . . . 6235 4 141 . 4 4 52 52 ILE CA C 13 65.900 0.12 . 1 . . . . 192 . . . 6235 4 142 . 4 4 53 53 ASP N N 15 121.000 0.15 . 1 . . . . 193 . . . 6235 4 143 . 4 4 53 53 ASP H H 1 8.720 0.03 . 1 . . . . 193 . . . 6235 4 144 . 4 4 53 53 ASP CA C 13 57.500 0.12 . 1 . . . . 193 . . . 6235 4 145 . 4 4 54 54 GLU N N 15 119.600 0.15 . 1 . . . . 194 . . . 6235 4 146 . 4 4 54 54 GLU H H 1 8.250 0.03 . 1 . . . . 194 . . . 6235 4 147 . 4 4 54 54 GLU CA C 13 59.600 0.12 . 1 . . . . 194 . . . 6235 4 148 . 4 4 55 55 ALA N N 15 123.200 0.15 . 1 . . . . 195 . . . 6235 4 149 . 4 4 55 55 ALA H H 1 7.990 0.03 . 1 . . . . 195 . . . 6235 4 150 . 4 4 55 55 ALA CA C 13 55.000 0.12 . 1 . . . . 195 . . . 6235 4 151 . 4 4 56 56 ASN N N 15 116.600 0.15 . 1 . . . . 196 . . . 6235 4 152 . 4 4 56 56 ASN H H 1 8.730 0.03 . 1 . . . . 196 . . . 6235 4 153 . 4 4 56 56 ASN CA C 13 57.000 0.12 . 1 . . . . 196 . . . 6235 4 154 . 4 4 57 57 GLN N N 15 120.800 0.15 . 1 . . . . 197 . . . 6235 4 155 . 4 4 57 57 GLN H H 1 8.260 0.03 . 1 . . . . 197 . . . 6235 4 156 . 4 4 57 57 GLN CA C 13 59.200 0.12 . 1 . . . . 197 . . . 6235 4 157 . 4 4 58 58 ARG N N 15 119.800 0.15 . 1 . . . . 198 . . . 6235 4 158 . 4 4 58 58 ARG H H 1 8.000 0.03 . 1 . . . . 198 . . . 6235 4 159 . 4 4 58 58 ARG CA C 13 59.200 0.12 . 1 . . . . 198 . . . 6235 4 160 . 4 4 59 59 ALA N N 15 119.800 0.15 . 1 . . . . 199 . . . 6235 4 161 . 4 4 59 59 ALA H H 1 8.690 0.03 . 1 . . . . 199 . . . 6235 4 162 . 4 4 59 59 ALA CA C 13 55.000 0.12 . 1 . . . . 199 . . . 6235 4 163 . 4 4 60 60 THR N N 15 111.200 0.15 . 1 . . . . 200 . . . 6235 4 164 . 4 4 60 60 THR H H 1 8.180 0.03 . 1 . . . . 200 . . . 6235 4 165 . 4 4 60 60 THR CA C 13 66.400 0.12 . 1 . . . . 200 . . . 6235 4 166 . 4 4 61 61 LYS N N 15 120.100 0.15 . 1 . . . . 201 . . . 6235 4 167 . 4 4 61 61 LYS H H 1 7.410 0.03 . 1 . . . . 201 . . . 6235 4 168 . 4 4 61 61 LYS CA C 13 58.300 0.12 . 1 . . . . 201 . . . 6235 4 169 . 4 4 62 62 MET N N 15 115.800 0.15 . 1 . . . . 202 . . . 6235 4 170 . 4 4 62 62 MET H H 1 7.500 0.03 . 1 . . . . 202 . . . 6235 4 171 . 4 4 62 62 MET CA C 13 56.600 0.12 . 1 . . . . 202 . . . 6235 4 172 . 4 4 63 63 LEU N N 15 119.800 0.15 . 1 . . . . 203 . . . 6235 4 173 . 4 4 63 63 LEU H H 1 7.470 0.03 . 1 . . . . 203 . . . 6235 4 174 . 4 4 63 63 LEU CA C 13 55.400 0.12 . 1 . . . . 203 . . . 6235 4 175 . 4 4 64 64 TRP N N 15 125.300 0.15 . 1 . . . . 204 . . . 6235 4 176 . 4 4 64 64 TRP H H 1 7.250 0.03 . 1 . . . . 204 . . . 6235 4 177 . 4 4 64 64 TRP CA C 13 58.700 0.12 . 1 . . . . 204 . . . 6235 4 stop_ save_