################################### # 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_lzjun_coiled_coil_pH_7.1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode lzjun_coiled_coil_pH_7.1 _Assigned_chem_shift_list.Entry_ID 17514 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $pH_7.1_295K _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 '3D CBCA(CO)NH' . . . 17514 1 2 '3D 1H-15N NOESY' . . . 17514 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 3 3 GLU H H 1 9.063 0.020 . 1 . . . . 2 GLU H . 17514 1 2 . 1 1 3 3 GLU N N 15 122.558 0.3 . 1 . . . . 2 GLU N . 17514 1 3 . 1 1 4 4 ARG H H 1 8.237 0.020 . 1 . . . . 3 ARG H . 17514 1 4 . 1 1 4 4 ARG N N 15 120.298 0.3 . 1 . . . . 3 ARG N . 17514 1 5 . 1 1 5 5 ILE H H 1 7.849 0.020 . 1 . . . . 4 ILE H . 17514 1 6 . 1 1 5 5 ILE CA C 13 65.354 0.3 . 1 . . . . 4 ILE CA . 17514 1 7 . 1 1 5 5 ILE CB C 13 37.477 0.3 . 1 . . . . 4 ILE CB . 17514 1 8 . 1 1 5 5 ILE N N 15 118.346 0.3 . 1 . . . . 4 ILE N . 17514 1 9 . 1 1 6 6 ALA H H 1 7.880 0.020 . 1 . . . . 5 ALA H . 17514 1 10 . 1 1 6 6 ALA CA C 13 55.062 0.3 . 1 . . . . 5 ALA CA . 17514 1 11 . 1 1 6 6 ALA CB C 13 18.204 0.3 . 1 . . . . 5 ALA CB . 17514 1 12 . 1 1 6 6 ALA N N 15 121.869 0.3 . 1 . . . . 5 ALA N . 17514 1 13 . 1 1 7 7 ARG H H 1 8.054 0.020 . 1 . . . . 6 ARG H . 17514 1 14 . 1 1 7 7 ARG CA C 13 58.968 0.3 . 1 . . . . 6 ARG CA . 17514 1 15 . 1 1 7 7 ARG CB C 13 30.218 0.3 . 1 . . . . 6 ARG CB . 17514 1 16 . 1 1 7 7 ARG N N 15 117.326 0.3 . 1 . . . . 6 ARG N . 17514 1 17 . 1 1 8 8 LEU H H 1 8.113 0.020 . 1 . . . . 7 LEU H . 17514 1 18 . 1 1 8 8 LEU CA C 13 58.066 0.3 . 1 . . . . 7 LEU CA . 17514 1 19 . 1 1 8 8 LEU CB C 13 43.482 0.3 . 1 . . . . 7 LEU CB . 17514 1 20 . 1 1 8 8 LEU N N 15 121.952 0.3 . 1 . . . . 7 LEU N . 17514 1 21 . 1 1 9 9 GLU H H 1 8.887 0.020 . 1 . . . . 8 GLU H . 17514 1 22 . 1 1 9 9 GLU CA C 13 60.057 0.3 . 1 . . . . 8 GLU CA . 17514 1 23 . 1 1 9 9 GLU CB C 13 29.379 0.3 . 1 . . . . 8 GLU CB . 17514 1 24 . 1 1 9 9 GLU N N 15 119.055 0.3 . 1 . . . . 8 GLU N . 17514 1 25 . 1 1 10 10 GLU H H 1 7.994 0.020 . 1 . . . . 9 GLU H . 17514 1 26 . 1 1 10 10 GLU CA C 13 59.112 0.3 . 1 . . . . 9 GLU CA . 17514 1 27 . 1 1 10 10 GLU CB C 13 29.291 0.3 . 1 . . . . 9 GLU CB . 17514 1 28 . 1 1 10 10 GLU N N 15 120.245 0.3 . 1 . . . . 9 GLU N . 17514 1 29 . 1 1 11 11 LYS H H 1 7.983 0.020 . 1 . . . . 10 LYS H . 17514 1 30 . 1 1 11 11 LYS CA C 13 59.030 0.3 . 1 . . . . 10 LYS CA . 17514 1 31 . 1 1 11 11 LYS CB C 13 31.936 0.3 . 1 . . . . 10 LYS CB . 17514 1 32 . 1 1 11 11 LYS N N 15 122.178 0.3 . 1 . . . . 10 LYS N . 17514 1 33 . 1 1 12 12 VAL H H 1 8.439 0.020 . 1 . . . . 11 VAL H . 17514 1 34 . 1 1 12 12 VAL CA C 13 67.397 0.3 . 1 . . . . 11 VAL CA . 17514 1 35 . 1 1 12 12 VAL CB C 13 31.753 0.3 . 1 . . . . 11 VAL CB . 17514 1 36 . 1 1 12 12 VAL N N 15 119.042 0.3 . 1 . . . . 11 VAL N . 17514 1 37 . 1 1 13 13 LYS H H 1 7.782 0.020 . 1 . . . . 12 LYS H . 17514 1 38 . 1 1 13 13 LYS CA C 13 60.328 0.3 . 1 . . . . 12 LYS CA . 17514 1 39 . 1 1 13 13 LYS CB C 13 32.505 0.3 . 1 . . . . 12 LYS CB . 17514 1 40 . 1 1 13 13 LYS N N 15 119.034 0.3 . 1 . . . . 12 LYS N . 17514 1 41 . 1 1 14 14 THR H H 1 8.513 0.020 . 1 . . . . 13 THR H . 17514 1 42 . 1 1 14 14 THR CA C 13 66.417 0.3 . 1 . . . . 13 THR CA . 17514 1 43 . 1 1 14 14 THR CB C 13 68.789 0.3 . 1 . . . . 13 THR CB . 17514 1 44 . 1 1 14 14 THR N N 15 117.100 0.3 . 1 . . . . 13 THR N . 17514 1 45 . 1 1 15 15 LEU H H 1 8.700 0.020 . 1 . . . . 14 LEU H . 17514 1 46 . 1 1 15 15 LEU CA C 13 58.094 0.3 . 1 . . . . 14 LEU CA . 17514 1 47 . 1 1 15 15 LEU CB C 13 43.431 0.3 . 1 . . . . 14 LEU CB . 17514 1 48 . 1 1 15 15 LEU N N 15 123.428 0.3 . 1 . . . . 14 LEU N . 17514 1 49 . 1 1 16 16 LYS H H 1 8.877 0.020 . 1 . . . . 15 LYS H . 17514 1 50 . 1 1 16 16 LYS CA C 13 60.170 0.3 . 1 . . . . 15 LYS CA . 17514 1 51 . 1 1 16 16 LYS CB C 13 32.316 0.3 . 1 . . . . 15 LYS CB . 17514 1 52 . 1 1 16 16 LYS N N 15 120.512 0.3 . 1 . . . . 15 LYS N . 17514 1 53 . 1 1 17 17 ALA H H 1 7.776 0.020 . 1 . . . . 16 ALA H . 17514 1 54 . 1 1 17 17 ALA CA C 13 55.230 0.3 . 1 . . . . 16 ALA CA . 17514 1 55 . 1 1 17 17 ALA CB C 13 17.754 0.3 . 1 . . . . 16 ALA CB . 17514 1 56 . 1 1 17 17 ALA N N 15 123.042 0.3 . 1 . . . . 16 ALA N . 17514 1 57 . 1 1 18 18 GLN H H 1 8.425 0.020 . 1 . . . . 17 GLN H . 17514 1 58 . 1 1 18 18 GLN CA C 13 58.812 0.3 . 1 . . . . 17 GLN CA . 17514 1 59 . 1 1 18 18 GLN CB C 13 28.473 0.3 . 1 . . . . 17 GLN CB . 17514 1 60 . 1 1 18 18 GLN N N 15 119.596 0.3 . 1 . . . . 17 GLN N . 17514 1 61 . 1 1 19 19 ASN H H 1 8.870 0.020 . 1 . . . . 18 ASN H . 17514 1 62 . 1 1 19 19 ASN CA C 13 57.079 0.3 . 1 . . . . 18 ASN CA . 17514 1 63 . 1 1 19 19 ASN CB C 13 38.488 0.3 . 1 . . . . 18 ASN CB . 17514 1 64 . 1 1 19 19 ASN N N 15 120.639 0.3 . 1 . . . . 18 ASN N . 17514 1 65 . 1 1 20 20 SER H H 1 8.158 0.020 . 1 . . . . 19 SER H . 17514 1 66 . 1 1 20 20 SER CA C 13 61.720 0.3 . 1 . . . . 19 SER CA . 17514 1 67 . 1 1 20 20 SER CB C 13 62.555 0.3 . 1 . . . . 19 SER CB . 17514 1 68 . 1 1 20 20 SER N N 15 115.190 0.3 . 1 . . . . 19 SER N . 17514 1 69 . 1 1 21 21 GLU H H 1 7.830 0.020 . 1 . . . . 20 GLU H . 17514 1 70 . 1 1 21 21 GLU CA C 13 59.463 0.3 . 1 . . . . 20 GLU CA . 17514 1 71 . 1 1 21 21 GLU CB C 13 29.526 0.3 . 1 . . . . 20 GLU CB . 17514 1 72 . 1 1 21 21 GLU N N 15 122.990 0.3 . 1 . . . . 20 GLU N . 17514 1 73 . 1 1 22 22 LEU H H 1 8.631 0.020 . 1 . . . . 21 LEU H . 17514 1 74 . 1 1 22 22 LEU CA C 13 57.975 0.3 . 1 . . . . 21 LEU CA . 17514 1 75 . 1 1 22 22 LEU CB C 13 43.752 0.3 . 1 . . . . 21 LEU CB . 17514 1 76 . 1 1 22 22 LEU N N 15 121.585 0.3 . 1 . . . . 21 LEU N . 17514 1 77 . 1 1 23 23 ALA H H 1 8.730 0.020 . 1 . . . . 22 ALA H . 17514 1 78 . 1 1 23 23 ALA CA C 13 55.324 0.3 . 1 . . . . 22 ALA CA . 17514 1 79 . 1 1 23 23 ALA CB C 13 17.810 0.3 . 1 . . . . 22 ALA CB . 17514 1 80 . 1 1 23 23 ALA N N 15 122.822 0.3 . 1 . . . . 22 ALA N . 17514 1 81 . 1 1 24 24 SER H H 1 8.053 0.020 . 1 . . . . 23 SER H . 17514 1 82 . 1 1 24 24 SER CA C 13 61.624 0.3 . 1 . . . . 23 SER CA . 17514 1 83 . 1 1 24 24 SER CB C 13 62.388 0.3 . 1 . . . . 23 SER CB . 17514 1 84 . 1 1 24 24 SER N N 15 114.788 0.3 . 1 . . . . 23 SER N . 17514 1 85 . 1 1 25 25 THR H H 1 8.580 0.020 . 1 . . . . 24 THR H . 17514 1 86 . 1 1 25 25 THR CA C 13 66.978 0.3 . 1 . . . . 24 THR CA . 17514 1 87 . 1 1 25 25 THR CB C 13 68.497 0.3 . 1 . . . . 24 THR CB . 17514 1 88 . 1 1 25 25 THR N N 15 121.117 0.3 . 1 . . . . 24 THR N . 17514 1 89 . 1 1 26 26 ALA H H 1 8.565 0.020 . 1 . . . . 25 ALA H . 17514 1 90 . 1 1 26 26 ALA CA C 13 55.891 0.3 . 1 . . . . 25 ALA CA . 17514 1 91 . 1 1 26 26 ALA CB C 13 17.170 0.3 . 1 . . . . 25 ALA CB . 17514 1 92 . 1 1 26 26 ALA N N 15 122.972 0.3 . 1 . . . . 25 ALA N . 17514 1 93 . 1 1 27 27 ASN H H 1 8.124 0.020 . 1 . . . . 26 ASN H . 17514 1 94 . 1 1 27 27 ASN CA C 13 56.519 0.3 . 1 . . . . 26 ASN CA . 17514 1 95 . 1 1 27 27 ASN CB C 13 38.125 0.3 . 1 . . . . 26 ASN CB . 17514 1 96 . 1 1 27 27 ASN N N 15 116.161 0.3 . 1 . . . . 26 ASN N . 17514 1 97 . 1 1 28 28 MET H H 1 8.147 0.020 . 1 . . . . 27 MET H . 17514 1 98 . 1 1 28 28 MET CA C 13 56.557 0.3 . 1 . . . . 27 MET CA . 17514 1 99 . 1 1 28 28 MET CB C 13 31.968 0.3 . 1 . . . . 27 MET CB . 17514 1 100 . 1 1 28 28 MET N N 15 121.229 0.3 . 1 . . . . 27 MET N . 17514 1 101 . 1 1 29 29 LEU H H 1 8.472 0.020 . 1 . . . . 28 LEU H . 17514 1 102 . 1 1 29 29 LEU CA C 13 57.885 0.3 . 1 . . . . 28 LEU CA . 17514 1 103 . 1 1 29 29 LEU CB C 13 43.534 0.3 . 1 . . . . 28 LEU CB . 17514 1 104 . 1 1 29 29 LEU N N 15 121.619 0.3 . 1 . . . . 28 LEU N . 17514 1 105 . 1 1 30 30 ARG H H 1 8.679 0.020 . 1 . . . . 29 ARG H . 17514 1 106 . 1 1 30 30 ARG CA C 13 60.657 0.3 . 1 . . . . 29 ARG CA . 17514 1 107 . 1 1 30 30 ARG CB C 13 29.958 0.3 . 1 . . . . 29 ARG CB . 17514 1 108 . 1 1 30 30 ARG N N 15 119.919 0.3 . 1 . . . . 29 ARG N . 17514 1 109 . 1 1 31 31 GLU H H 1 7.783 0.020 . 1 . . . . 30 GLU H . 17514 1 110 . 1 1 31 31 GLU CA C 13 59.103 0.3 . 1 . . . . 30 GLU CA . 17514 1 111 . 1 1 31 31 GLU CB C 13 29.116 0.3 . 1 . . . . 30 GLU CB . 17514 1 112 . 1 1 31 31 GLU N N 15 120.277 0.3 . 1 . . . . 30 GLU N . 17514 1 113 . 1 1 32 32 GLN H H 1 7.989 0.020 . 1 . . . . 31 GLN H . 17514 1 114 . 1 1 32 32 GLN CA C 13 59.360 0.3 . 1 . . . . 31 GLN CA . 17514 1 115 . 1 1 32 32 GLN CB C 13 28.431 0.3 . 1 . . . . 31 GLN CB . 17514 1 116 . 1 1 32 32 GLN N N 15 120.756 0.3 . 1 . . . . 31 GLN N . 17514 1 117 . 1 1 33 33 VAL H H 1 8.600 0.020 . 1 . . . . 32 VAL H . 17514 1 118 . 1 1 33 33 VAL CA C 13 67.481 0.3 . 1 . . . . 32 VAL CA . 17514 1 119 . 1 1 33 33 VAL CB C 13 31.797 0.3 . 1 . . . . 32 VAL CB . 17514 1 120 . 1 1 33 33 VAL N N 15 119.789 0.3 . 1 . . . . 32 VAL N . 17514 1 121 . 1 1 34 34 ALA H H 1 7.746 0.020 . 1 . . . . 33 ALA H . 17514 1 122 . 1 1 34 34 ALA C C 13 180.940 0.3 . 1 . . . . 33 ALA C . 17514 1 123 . 1 1 34 34 ALA CA C 13 55.387 0.3 . 1 . . . . 33 ALA CA . 17514 1 124 . 1 1 34 34 ALA CB C 13 17.856 0.3 . 1 . . . . 33 ALA CB . 17514 1 125 . 1 1 34 34 ALA N N 15 120.235 0.3 . 1 . . . . 33 ALA N . 17514 1 126 . 1 1 35 35 GLN H H 1 8.047 0.020 . 1 . . . . 34 GLN H . 17514 1 127 . 1 1 35 35 GLN C C 13 179.492 0.3 . 1 . . . . 34 GLN C . 17514 1 128 . 1 1 35 35 GLN CA C 13 58.650 0.3 . 1 . . . . 34 GLN CA . 17514 1 129 . 1 1 35 35 GLN CB C 13 28.504 0.3 . 1 . . . . 34 GLN CB . 17514 1 130 . 1 1 35 35 GLN N N 15 117.037 0.3 . 1 . . . . 34 GLN N . 17514 1 131 . 1 1 36 36 LEU H H 1 8.370 0.020 . 1 . . . . 35 LEU H . 17514 1 132 . 1 1 36 36 LEU CA C 13 57.870 0.3 . 1 . . . . 35 LEU CA . 17514 1 133 . 1 1 36 36 LEU CB C 13 43.293 0.3 . 1 . . . . 35 LEU CB . 17514 1 134 . 1 1 36 36 LEU N N 15 121.134 0.3 . 1 . . . . 35 LEU N . 17514 1 135 . 1 1 37 37 LYS H H 1 8.529 0.020 . 1 . . . . 36 LYS H . 17514 1 136 . 1 1 37 37 LYS CA C 13 59.726 0.3 . 1 . . . . 36 LYS CA . 17514 1 137 . 1 1 37 37 LYS CB C 13 32.523 0.3 . 1 . . . . 36 LYS CB . 17514 1 138 . 1 1 37 37 LYS N N 15 118.322 0.3 . 1 . . . . 36 LYS N . 17514 1 139 . 1 1 38 38 GLN H H 1 7.436 0.020 . 1 . . . . 37 GLN H . 17514 1 140 . 1 1 38 38 GLN CA C 13 57.663 0.3 . 1 . . . . 37 GLN CA . 17514 1 141 . 1 1 38 38 GLN CB C 13 28.732 0.3 . 1 . . . . 37 GLN CB . 17514 1 142 . 1 1 38 38 GLN N N 15 116.289 0.3 . 1 . . . . 37 GLN N . 17514 1 143 . 1 1 39 39 LYS H H 1 7.743 0.020 . 1 . . . . 38 LYS H . 17514 1 144 . 1 1 39 39 LYS CA C 13 57.393 0.3 . 1 . . . . 38 LYS CA . 17514 1 145 . 1 1 39 39 LYS CB C 13 33.056 0.3 . 1 . . . . 38 LYS CB . 17514 1 146 . 1 1 39 39 LYS N N 15 118.702 0.3 . 1 . . . . 38 LYS N . 17514 1 147 . 1 1 40 40 VAL H H 1 7.746 0.020 . 1 . . . . 39 VAL H . 17514 1 148 . 1 1 40 40 VAL CA C 13 63.011 0.3 . 1 . . . . 39 VAL CA . 17514 1 149 . 1 1 40 40 VAL CB C 13 32.321 0.3 . 1 . . . . 39 VAL CB . 17514 1 150 . 1 1 40 40 VAL N N 15 118.232 0.3 . 1 . . . . 39 VAL N . 17514 1 151 . 1 1 41 41 MET H H 1 8.261 0.020 . 1 . . . . 40 MET H . 17514 1 152 . 1 1 41 41 MET CA C 13 55.749 0.3 . 1 . . . . 40 MET CA . 17514 1 153 . 1 1 41 41 MET CB C 13 32.610 0.3 . 1 . . . . 40 MET CB . 17514 1 154 . 1 1 41 41 MET N N 15 123.294 0.3 . 1 . . . . 40 MET N . 17514 1 155 . 1 1 42 42 ASN H H 1 8.000 0.020 . 1 . . . . 41 ASN H . 17514 1 156 . 1 1 42 42 ASN CA C 13 53.155 0.3 . 1 . . . . 41 ASN CA . 17514 1 157 . 1 1 42 42 ASN CB C 13 39.076 0.3 . 1 . . . . 41 ASN CB . 17514 1 158 . 1 1 42 42 ASN N N 15 125.241 0.3 . 1 . . . . 41 ASN N . 17514 1 stop_ save_