################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 51442 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name 'Tetrahymena Ctc1 OB-A domain' _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N TROSY' . . . 51442 1 2 '3D HNCACB' . . . 51442 1 7 '3D HN(CA)CO' . . . 51442 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $software_1 . . 51442 1 2 $software_2 . . 51442 1 4 $software_4 . . 51442 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 2 2 GLU H H 1 8.522 0.00 . . . . . . . 2 GLU H . 51442 1 2 . 1 . 1 2 2 GLU N N 15 122.984 0.00 . . . . . . . 2 GLU N . 51442 1 3 . 1 . 1 3 3 ILE H H 1 8.019 0.00 . . . . . . . 3 ILE H . 51442 1 4 . 1 . 1 3 3 ILE N N 15 122.115 0.00 . . . . . . . 3 ILE N . 51442 1 5 . 1 . 1 4 4 GLU H H 1 8.261 0.00 . . . . . . . 4 GLU H . 51442 1 6 . 1 . 1 4 4 GLU N N 15 125.490 0.00 . . . . . . . 4 GLU N . 51442 1 7 . 1 . 1 5 5 GLU H H 1 8.206 0.00 . . . . . . . 5 GLU H . 51442 1 8 . 1 . 1 5 5 GLU N N 15 122.881 0.00 . . . . . . . 5 GLU N . 51442 1 9 . 1 . 1 6 6 ASP H H 1 8.212 0.00 . . . . . . . 6 ASP H . 51442 1 10 . 1 . 1 6 6 ASP N N 15 122.017 0.00 . . . . . . . 6 ASP N . 51442 1 11 . 1 . 1 7 7 LEU H H 1 8.124 0.00 . . . . . . . 7 LEU H . 51442 1 12 . 1 . 1 7 7 LEU N N 15 124.663 0.00 . . . . . . . 7 LEU N . 51442 1 13 . 1 . 1 8 8 ASN H H 1 8.113 0.00 . . . . . . . 8 ASN H . 51442 1 14 . 1 . 1 8 8 ASN N N 15 118.495 0.00 . . . . . . . 8 ASN N . 51442 1 15 . 1 . 1 9 9 LEU H H 1 7.630 0.00 . . . . . . . 9 LEU H . 51442 1 16 . 1 . 1 9 9 LEU N N 15 120.286 0.00 . . . . . . . 9 LEU N . 51442 1 17 . 1 . 1 10 10 LYS H H 1 7.710 0.00 . . . . . . . 10 LYS H . 51442 1 18 . 1 . 1 10 10 LYS N N 15 121.087 0.00 . . . . . . . 10 LYS N . 51442 1 19 . 1 . 1 11 11 ILE H H 1 7.500 0.00 . . . . . . . 11 ILE H . 51442 1 20 . 1 . 1 11 11 ILE N N 15 118.161 0.00 . . . . . . . 11 ILE N . 51442 1 21 . 1 . 1 12 12 LEU H H 1 7.243 0.00 . . . . . . . 12 LEU H . 51442 1 22 . 1 . 1 12 12 LEU N N 15 119.463 0.00 . . . . . . . 12 LEU N . 51442 1 23 . 1 . 1 13 13 GLU H H 1 7.615 0.00 . . . . . . . 13 GLU H . 51442 1 24 . 1 . 1 13 13 GLU N N 15 118.964 0.00 . . . . . . . 13 GLU N . 51442 1 25 . 1 . 1 14 14 ASP H H 1 7.767 0.00 . . . . . . . 14 ASP H . 51442 1 26 . 1 . 1 14 14 ASP N N 15 122.655 0.00 . . . . . . . 14 ASP N . 51442 1 27 . 1 . 1 15 15 VAL H H 1 8.148 0.00 . . . . . . . 15 VAL H . 51442 1 28 . 1 . 1 15 15 VAL N N 15 122.147 0.00 . . . . . . . 15 VAL N . 51442 1 29 . 1 . 1 16 16 LYS H H 1 7.903 0.00 . . . . . . . 16 LYS H . 51442 1 30 . 1 . 1 16 16 LYS N N 15 119.655 0.00 . . . . . . . 16 LYS N . 51442 1 31 . 1 . 1 17 17 LYS H H 1 7.635 0.00 . . . . . . . 17 LYS H . 51442 1 32 . 1 . 1 17 17 LYS N N 15 116.764 0.00 . . . . . . . 17 LYS N . 51442 1 33 . 1 . 1 18 18 LEU H H 1 8.250 0.00 . . . . . . . 18 LEU H . 51442 1 34 . 1 . 1 18 18 LEU N N 15 120.672 0.00 . . . . . . . 18 LEU N . 51442 1 35 . 1 . 1 19 19 TYR H H 1 9.369 0.00 . . . . . . . 19 TYR H . 51442 1 36 . 1 . 1 19 19 TYR N N 15 125.834 0.00 . . . . . . . 19 TYR N . 51442 1 37 . 1 . 1 20 20 LEU H H 1 7.880 0.00 . . . . . . . 20 LEU H . 51442 1 38 . 1 . 1 20 20 LEU N N 15 119.589 0.00 . . . . . . . 20 LEU N . 51442 1 39 . 1 . 1 21 21 GLN H H 1 8.236 0.00 . . . . . . . 21 GLN H . 51442 1 40 . 1 . 1 21 21 GLN N N 15 118.719 0.00 . . . . . . . 21 GLN N . 51442 1 41 . 1 . 1 22 22 SER H H 1 7.826 0.00 . . . . . . . 22 SER H . 51442 1 42 . 1 . 1 22 22 SER N N 15 111.976 0.00 . . . . . . . 22 SER N . 51442 1 43 . 1 . 1 23 23 PHE H H 1 7.213 0.00 . . . . . . . 23 PHE H . 51442 1 44 . 1 . 1 23 23 PHE N N 15 121.643 0.00 . . . . . . . 23 PHE N . 51442 1 45 . 1 . 1 24 24 ASP H H 1 8.801 0.00 . . . . . . . 24 ASP H . 51442 1 46 . 1 . 1 24 24 ASP N N 15 118.563 0.00 . . . . . . . 24 ASP N . 51442 1 47 . 1 . 1 25 25 TYR H H 1 7.500 0.00 . . . . . . . 25 TYR H . 51442 1 48 . 1 . 1 25 25 TYR N N 15 120.517 0.00 . . . . . . . 25 TYR N . 51442 1 49 . 1 . 1 26 26 ILE H H 1 7.690 0.00 . . . . . . . 26 ILE H . 51442 1 50 . 1 . 1 26 26 ILE N N 15 119.039 0.00 . . . . . . . 26 ILE N . 51442 1 51 . 1 . 1 27 27 LYS H H 1 8.074 0.00 . . . . . . . 27 LYS H . 51442 1 52 . 1 . 1 27 27 LYS N N 15 118.790 0.00 . . . . . . . 27 LYS N . 51442 1 53 . 1 . 1 28 28 ASN H H 1 7.994 0.00 . . . . . . . 28 ASN H . 51442 1 54 . 1 . 1 28 28 ASN N N 15 114.064 0.00 . . . . . . . 28 ASN N . 51442 1 55 . 1 . 1 29 29 GLY H H 1 7.390 0.00 . . . . . . . 29 GLY H . 51442 1 56 . 1 . 1 29 29 GLY N N 15 110.254 0.00 . . . . . . . 29 GLY N . 51442 1 57 . 1 . 1 30 30 ILE H H 1 8.027 0.00 . . . . . . . 30 ILE H . 51442 1 58 . 1 . 1 30 30 ILE N N 15 124.522 0.00 . . . . . . . 30 ILE N . 51442 1 59 . 1 . 1 31 31 SER H H 1 8.063 0.00 . . . . . . . 31 SER H . 51442 1 60 . 1 . 1 31 31 SER N N 15 118.495 0.00 . . . . . . . 31 SER N . 51442 1 61 . 1 . 1 33 33 SER H H 1 8.024 0.00 . . . . . . . 33 SER H . 51442 1 62 . 1 . 1 33 33 SER N N 15 117.698 0.00 . . . . . . . 33 SER N . 51442 1 63 . 1 . 1 34 34 LEU H H 1 8.099 0.00 . . . . . . . 34 LEU H . 51442 1 64 . 1 . 1 34 34 LEU N N 15 125.464 0.00 . . . . . . . 34 LEU N . 51442 1 65 . 1 . 1 36 36 SER H H 1 8.137 0.00 . . . . . . . 36 SER H . 51442 1 66 . 1 . 1 36 36 SER N N 15 115.596 0.00 . . . . . . . 36 SER N . 51442 1 67 . 1 . 1 37 37 ASP H H 1 8.115 0.00 . . . . . . . 37 ASP H . 51442 1 68 . 1 . 1 37 37 ASP N N 15 122.373 0.00 . . . . . . . 37 ASP N . 51442 1 69 . 1 . 1 38 38 LYS H H 1 7.872 0.00 . . . . . . . 38 LYS H . 51442 1 70 . 1 . 1 38 38 LYS N N 15 121.742 0.00 . . . . . . . 38 LYS N . 51442 1 71 . 1 . 1 39 39 LYS H H 1 8.035 0.00 . . . . . . . 39 LYS H . 51442 1 72 . 1 . 1 39 39 LYS N N 15 122.798 0.00 . . . . . . . 39 LYS N . 51442 1 73 . 1 . 1 40 40 PHE H H 1 7.978 0.00 . . . . . . . 40 PHE H . 51442 1 74 . 1 . 1 40 40 PHE N N 15 121.284 0.00 . . . . . . . 40 PHE N . 51442 1 75 . 1 . 1 41 41 LEU H H 1 7.965 0.00 . . . . . . . 41 LEU H . 51442 1 76 . 1 . 1 41 41 LEU N N 15 124.659 0.00 . . . . . . . 41 LEU N . 51442 1 77 . 1 . 1 42 42 ALA H H 1 8.127 0.00 . . . . . . . 42 ALA H . 51442 1 78 . 1 . 1 42 42 ALA N N 15 125.579 0.00 . . . . . . . 42 ALA N . 51442 1 79 . 1 . 1 43 43 ASP H H 1 8.088 0.00 . . . . . . . 43 ASP H . 51442 1 80 . 1 . 1 43 43 ASP N N 15 119.876 0.00 . . . . . . . 43 ASP N . 51442 1 81 . 1 . 1 44 44 ASP H H 1 7.995 0.00 . . . . . . . 44 ASP H . 51442 1 82 . 1 . 1 44 44 ASP N N 15 119.669 0.00 . . . . . . . 44 ASP N . 51442 1 83 . 1 . 1 45 45 ASP H H 1 8.041 0.00 . . . . . . . 45 ASP H . 51442 1 84 . 1 . 1 45 45 ASP N N 15 120.329 0.00 . . . . . . . 45 ASP N . 51442 1 85 . 1 . 1 46 46 ILE H H 1 7.690 0.00 . . . . . . . 46 ILE H . 51442 1 86 . 1 . 1 46 46 ILE N N 15 120.974 0.00 . . . . . . . 46 ILE N . 51442 1 87 . 1 . 1 47 47 ASP H H 1 8.241 0.00 . . . . . . . 47 ASP H . 51442 1 88 . 1 . 1 47 47 ASP N N 15 125.332 0.00 . . . . . . . 47 ASP N . 51442 1 89 . 1 . 1 48 48 LEU H H 1 7.867 0.00 . . . . . . . 48 LEU H . 51442 1 90 . 1 . 1 48 48 LEU N N 15 126.396 0.00 . . . . . . . 48 LEU N . 51442 1 91 . 1 . 1 49 49 SER H H 1 8.274 0.00 . . . . . . . 49 SER H . 51442 1 92 . 1 . 1 49 49 SER N N 15 116.103 0.00 . . . . . . . 49 SER N . 51442 1 93 . 1 . 1 50 50 ARG H H 1 7.130 0.00 . . . . . . . 50 ARG H . 51442 1 94 . 1 . 1 50 50 ARG N N 15 119.996 0.00 . . . . . . . 50 ARG N . 51442 1 95 . 1 . 1 51 51 ILE H H 1 8.907 0.00 . . . . . . . 51 ILE H . 51442 1 96 . 1 . 1 51 51 ILE N N 15 115.102 0.00 . . . . . . . 51 ILE N . 51442 1 97 . 1 . 1 52 52 THR H H 1 7.509 0.00 . . . . . . . 52 THR H . 51442 1 98 . 1 . 1 52 52 THR N N 15 118.331 0.00 . . . . . . . 52 THR N . 51442 1 99 . 1 . 1 53 53 PHE H H 1 8.557 0.00 . . . . . . . 53 PHE H . 51442 1 100 . 1 . 1 53 53 PHE N N 15 121.802 0.00 . . . . . . . 53 PHE N . 51442 1 101 . 1 . 1 54 54 LEU H H 1 7.066 0.00 . . . . . . . 54 LEU H . 51442 1 102 . 1 . 1 54 54 LEU N N 15 120.411 0.00 . . . . . . . 54 LEU N . 51442 1 103 . 1 . 1 55 55 TYR H H 1 7.961 0.00 . . . . . . . 55 TYR H . 51442 1 104 . 1 . 1 55 55 TYR N N 15 118.690 0.00 . . . . . . . 55 TYR N . 51442 1 105 . 1 . 1 56 56 LYS H H 1 8.745 0.00 . . . . . . . 56 LYS H . 51442 1 106 . 1 . 1 56 56 LYS N N 15 130.838 0.00 . . . . . . . 56 LYS N . 51442 1 107 . 1 . 1 57 57 PHE H H 1 8.118 0.00 . . . . . . . 57 PHE H . 51442 1 108 . 1 . 1 57 57 PHE N N 15 125.813 0.00 . . . . . . . 57 PHE N . 51442 1 109 . 1 . 1 58 58 ILE H H 1 8.132 0.00 . . . . . . . 58 ILE H . 51442 1 110 . 1 . 1 58 58 ILE N N 15 128.423 0.00 . . . . . . . 58 ILE N . 51442 1 111 . 1 . 1 59 59 SER H H 1 7.353 0.00 . . . . . . . 59 SER H . 51442 1 112 . 1 . 1 59 59 SER N N 15 109.847 0.00 . . . . . . . 59 SER N . 51442 1 113 . 1 . 1 60 60 VAL H H 1 8.592 0.00 . . . . . . . 60 VAL H . 51442 1 114 . 1 . 1 60 60 VAL N N 15 121.810 0.00 . . . . . . . 60 VAL N . 51442 1 115 . 1 . 1 61 61 ASN H H 1 8.605 0.00 . . . . . . . 61 ASN H . 51442 1 116 . 1 . 1 61 61 ASN N N 15 130.271 0.00 . . . . . . . 61 ASN N . 51442 1 117 . 1 . 1 63 63 THR H H 1 8.527 0.00 . . . . . . . 63 THR H . 51442 1 118 . 1 . 1 63 63 THR N N 15 117.423 0.00 . . . . . . . 63 THR N . 51442 1 119 . 1 . 1 64 64 LEU H H 1 8.437 0.00 . . . . . . . 64 LEU H . 51442 1 120 . 1 . 1 64 64 LEU N N 15 129.560 0.00 . . . . . . . 64 LEU N . 51442 1 121 . 1 . 1 65 65 LEU H H 1 8.790 0.00 . . . . . . . 65 LEU H . 51442 1 122 . 1 . 1 65 65 LEU N N 15 124.749 0.00 . . . . . . . 65 LEU N . 51442 1 123 . 1 . 1 66 66 LEU H H 1 8.374 0.00 . . . . . . . 66 LEU H . 51442 1 124 . 1 . 1 66 66 LEU N N 15 130.493 0.00 . . . . . . . 66 LEU N . 51442 1 125 . 1 . 1 67 67 ILE H H 1 8.209 0.00 . . . . . . . 67 ILE H . 51442 1 126 . 1 . 1 67 67 ILE N N 15 116.539 0.00 . . . . . . . 67 ILE N . 51442 1 127 . 1 . 1 68 68 ASN H H 1 6.539 0.00 . . . . . . . 68 ASN H . 51442 1 128 . 1 . 1 68 68 ASN N N 15 119.967 0.00 . . . . . . . 68 ASN N . 51442 1 129 . 1 . 1 69 69 GLU H H 1 8.083 0.00 . . . . . . . 69 GLU H . 51442 1 130 . 1 . 1 69 69 GLU N N 15 124.809 0.00 . . . . . . . 69 GLU N . 51442 1 131 . 1 . 1 70 70 LYS H H 1 8.428 0.00 . . . . . . . 70 LYS H . 51442 1 132 . 1 . 1 70 70 LYS N N 15 122.011 0.00 . . . . . . . 70 LYS N . 51442 1 133 . 1 . 1 71 71 THR H H 1 8.122 0.00 . . . . . . . 71 THR H . 51442 1 134 . 1 . 1 71 71 THR N N 15 109.018 0.00 . . . . . . . 71 THR N . 51442 1 135 . 1 . 1 72 72 GLN H H 1 7.358 0.00 . . . . . . . 72 GLN H . 51442 1 136 . 1 . 1 72 72 GLN N N 15 115.409 0.00 . . . . . . . 72 GLN N . 51442 1 137 . 1 . 1 73 73 ALA H H 1 6.914 0.00 . . . . . . . 73 ALA H . 51442 1 138 . 1 . 1 73 73 ALA N N 15 121.199 0.00 . . . . . . . 73 ALA N . 51442 1 139 . 1 . 1 74 74 LYS H H 1 8.309 0.00 . . . . . . . 74 LYS H . 51442 1 140 . 1 . 1 74 74 LYS N N 15 120.564 0.00 . . . . . . . 74 LYS N . 51442 1 141 . 1 . 1 75 75 ARG H H 1 8.872 0.00 . . . . . . . 75 ARG H . 51442 1 142 . 1 . 1 75 75 ARG N N 15 121.718 0.00 . . . . . . . 75 ARG N . 51442 1 143 . 1 . 1 76 76 ARG H H 1 8.691 0.00 . . . . . . . 76 ARG H . 51442 1 144 . 1 . 1 76 76 ARG N N 15 122.583 0.00 . . . . . . . 76 ARG N . 51442 1 145 . 1 . 1 77 77 ILE H H 1 9.088 0.00 . . . . . . . 77 ILE H . 51442 1 146 . 1 . 1 77 77 ILE N N 15 121.586 0.00 . . . . . . . 77 ILE N . 51442 1 147 . 1 . 1 78 78 PHE H H 1 9.728 0.00 . . . . . . . 78 PHE H . 51442 1 148 . 1 . 1 78 78 PHE N N 15 128.451 0.00 . . . . . . . 78 PHE N . 51442 1 149 . 1 . 1 79 79 GLN H H 1 9.575 0.00 . . . . . . . 79 GLN H . 51442 1 150 . 1 . 1 79 79 GLN N N 15 130.732 0.00 . . . . . . . 79 GLN N . 51442 1 151 . 1 . 1 80 80 GLY H H 1 8.721 0.00 . . . . . . . 80 GLY H . 51442 1 152 . 1 . 1 80 80 GLY N N 15 113.225 0.00 . . . . . . . 80 GLY N . 51442 1 153 . 1 . 1 81 81 GLU H H 1 8.616 0.00 . . . . . . . 81 GLU H . 51442 1 154 . 1 . 1 81 81 GLU N N 15 117.089 0.00 . . . . . . . 81 GLU N . 51442 1 155 . 1 . 1 82 82 TYR H H 1 8.945 0.00 . . . . . . . 82 TYR H . 51442 1 156 . 1 . 1 82 82 TYR N N 15 119.342 0.00 . . . . . . . 82 TYR N . 51442 1 157 . 1 . 1 83 83 LEU H H 1 7.089 0.00 . . . . . . . 83 LEU H . 51442 1 158 . 1 . 1 83 83 LEU N N 15 126.119 0.00 . . . . . . . 83 LEU N . 51442 1 159 . 1 . 1 84 84 TYR H H 1 8.960 0.00 . . . . . . . 84 TYR H . 51442 1 160 . 1 . 1 84 84 TYR N N 15 130.753 0.00 . . . . . . . 84 TYR N . 51442 1 161 . 1 . 1 85 85 GLY H H 1 8.745 0.00 . . . . . . . 85 GLY H . 51442 1 162 . 1 . 1 85 85 GLY N N 15 114.091 0.00 . . . . . . . 85 GLY N . 51442 1 163 . 1 . 1 87 87 LYS H H 1 7.717 0.00 . . . . . . . 87 LYS H . 51442 1 164 . 1 . 1 87 87 LYS N N 15 122.521 0.00 . . . . . . . 87 LYS N . 51442 1 165 . 1 . 1 88 88 LYS H H 1 8.469 0.00 . . . . . . . 88 LYS H . 51442 1 166 . 1 . 1 88 88 LYS N N 15 127.209 0.00 . . . . . . . 88 LYS N . 51442 1 167 . 1 . 1 89 89 ILE H H 1 8.745 0.00 . . . . . . . 89 ILE H . 51442 1 168 . 1 . 1 89 89 ILE N N 15 132.136 0.00 . . . . . . . 89 ILE N . 51442 1 169 . 1 . 1 90 90 GLN H H 1 7.923 0.00 . . . . . . . 90 GLN H . 51442 1 170 . 1 . 1 90 90 GLN N N 15 123.868 0.00 . . . . . . . 90 GLN N . 51442 1 171 . 1 . 1 91 91 PHE H H 1 8.336 0.00 . . . . . . . 91 PHE H . 51442 1 172 . 1 . 1 91 91 PHE N N 15 122.093 0.00 . . . . . . . 91 PHE N . 51442 1 173 . 1 . 1 92 92 ASN H H 1 8.713 0.00 . . . . . . . 92 ASN H . 51442 1 174 . 1 . 1 92 92 ASN N N 15 125.173 0.00 . . . . . . . 92 ASN N . 51442 1 175 . 1 . 1 93 93 ILE H H 1 8.812 0.00 . . . . . . . 93 ILE H . 51442 1 176 . 1 . 1 93 93 ILE N N 15 127.782 0.00 . . . . . . . 93 ILE N . 51442 1 177 . 1 . 1 94 94 ILE H H 1 8.856 0.00 . . . . . . . 94 ILE H . 51442 1 178 . 1 . 1 94 94 ILE N N 15 118.940 0.00 . . . . . . . 94 ILE N . 51442 1 179 . 1 . 1 95 95 ALA H H 1 9.752 0.00 . . . . . . . 95 ALA H . 51442 1 180 . 1 . 1 95 95 ALA N N 15 123.352 0.00 . . . . . . . 95 ALA N . 51442 1 181 . 1 . 1 96 96 LYS H H 1 8.306 0.00 . . . . . . . 96 LYS H . 51442 1 182 . 1 . 1 96 96 LYS N N 15 118.220 0.00 . . . . . . . 96 LYS N . 51442 1 183 . 1 . 1 97 97 ASN H H 1 7.019 0.00 . . . . . . . 97 ASN H . 51442 1 184 . 1 . 1 97 97 ASN N N 15 110.242 0.00 . . . . . . . 97 ASN N . 51442 1 185 . 1 . 1 98 98 LEU H H 1 8.791 0.00 . . . . . . . 98 LEU H . 51442 1 186 . 1 . 1 98 98 LEU N N 15 118.432 0.00 . . . . . . . 98 LEU N . 51442 1 187 . 1 . 1 99 99 GLU H H 1 8.190 0.00 . . . . . . . 99 GLU H . 51442 1 188 . 1 . 1 99 99 GLU N N 15 123.999 0.00 . . . . . . . 99 GLU N . 51442 1 189 . 1 . 1 100 100 ILE H H 1 8.293 0.00 . . . . . . . 100 ILE H . 51442 1 190 . 1 . 1 100 100 ILE N N 15 121.789 0.00 . . . . . . . 100 ILE N . 51442 1 191 . 1 . 1 101 101 GLU H H 1 7.915 0.00 . . . . . . . 101 GLU H . 51442 1 192 . 1 . 1 101 101 GLU N N 15 121.220 0.00 . . . . . . . 101 GLU N . 51442 1 193 . 1 . 1 102 102 ARG H H 1 7.786 0.00 . . . . . . . 102 ARG H . 51442 1 194 . 1 . 1 102 102 ARG N N 15 118.011 0.00 . . . . . . . 102 ARG N . 51442 1 195 . 1 . 1 103 103 GLU H H 1 7.237 0.00 . . . . . . . 103 GLU H . 51442 1 196 . 1 . 1 103 103 GLU N N 15 120.194 0.00 . . . . . . . 103 GLU N . 51442 1 197 . 1 . 1 104 104 LEU H H 1 8.092 0.00 . . . . . . . 104 LEU H . 51442 1 198 . 1 . 1 104 104 LEU N N 15 120.610 0.00 . . . . . . . 104 LEU N . 51442 1 199 . 1 . 1 105 105 ILE H H 1 8.094 0.00 . . . . . . . 105 ILE H . 51442 1 200 . 1 . 1 105 105 ILE N N 15 118.970 0.00 . . . . . . . 105 ILE N . 51442 1 201 . 1 . 1 106 106 GLN H H 1 6.825 0.00 . . . . . . . 106 GLN H . 51442 1 202 . 1 . 1 106 106 GLN N N 15 115.848 0.00 . . . . . . . 106 GLN N . 51442 1 203 . 1 . 1 107 107 PHE H H 1 7.549 0.00 . . . . . . . 107 PHE H . 51442 1 204 . 1 . 1 107 107 PHE N N 15 119.818 0.00 . . . . . . . 107 PHE N . 51442 1 205 . 1 . 1 108 108 PHE H H 1 7.506 0.00 . . . . . . . 108 PHE H . 51442 1 206 . 1 . 1 108 108 PHE N N 15 120.033 0.00 . . . . . . . 108 PHE N . 51442 1 207 . 1 . 1 109 109 LYS H H 1 7.500 0.00 . . . . . . . 109 LYS H . 51442 1 208 . 1 . 1 109 109 LYS N N 15 121.363 0.00 . . . . . . . 109 LYS N . 51442 1 209 . 1 . 1 110 110 LYS H H 1 8.381 0.00 . . . . . . . 110 LYS H . 51442 1 210 . 1 . 1 110 110 LYS N N 15 122.028 0.00 . . . . . . . 110 LYS N . 51442 1 211 . 1 . 1 112 112 TYR H H 1 9.076 0.00 . . . . . . . 112 TYR H . 51442 1 212 . 1 . 1 112 112 TYR N N 15 116.506 0.00 . . . . . . . 112 TYR N . 51442 1 213 . 1 . 1 113 113 GLN H H 1 7.594 0.00 . . . . . . . 113 GLN H . 51442 1 214 . 1 . 1 113 113 GLN N N 15 121.065 0.00 . . . . . . . 113 GLN N . 51442 1 215 . 1 . 1 114 114 CYS H H 1 8.265 0.00 . . . . . . . 114 CYS H . 51442 1 216 . 1 . 1 114 114 CYS N N 15 121.438 0.00 . . . . . . . 114 CYS N . 51442 1 217 . 1 . 1 115 115 TYR H H 1 9.503 0.00 . . . . . . . 115 TYR H . 51442 1 218 . 1 . 1 115 115 TYR N N 15 121.593 0.00 . . . . . . . 115 TYR N . 51442 1 219 . 1 . 1 116 116 ILE H H 1 8.790 0.00 . . . . . . . 116 ILE H . 51442 1 220 . 1 . 1 116 116 ILE N N 15 119.859 0.00 . . . . . . . 116 ILE N . 51442 1 221 . 1 . 1 117 117 MET H H 1 8.203 0.00 . . . . . . . 117 MET H . 51442 1 222 . 1 . 1 117 117 MET N N 15 126.158 0.00 . . . . . . . 117 MET N . 51442 1 223 . 1 . 1 118 118 HIS H H 1 8.717 0.00 . . . . . . . 118 HIS H . 51442 1 224 . 1 . 1 118 118 HIS N N 15 123.102 0.00 . . . . . . . 118 HIS N . 51442 1 225 . 1 . 1 119 119 ASN H H 1 8.111 0.00 . . . . . . . 119 ASN H . 51442 1 226 . 1 . 1 119 119 ASN N N 15 129.705 0.00 . . . . . . . 119 ASN N . 51442 1 227 . 1 . 1 120 120 VAL H H 1 9.276 0.00 . . . . . . . 120 VAL H . 51442 1 228 . 1 . 1 120 120 VAL N N 15 125.127 0.00 . . . . . . . 120 VAL N . 51442 1 229 . 1 . 1 121 121 GLN H H 1 8.003 0.00 . . . . . . . 121 GLN H . 51442 1 230 . 1 . 1 121 121 GLN N N 15 123.257 0.00 . . . . . . . 121 GLN N . 51442 1 231 . 1 . 1 122 122 VAL H H 1 8.736 0.00 . . . . . . . 122 VAL H . 51442 1 232 . 1 . 1 122 122 VAL N N 15 124.248 0.00 . . . . . . . 122 VAL N . 51442 1 233 . 1 . 1 123 123 PHE H H 1 8.986 0.00 . . . . . . . 123 PHE H . 51442 1 234 . 1 . 1 123 123 PHE N N 15 125.137 0.00 . . . . . . . 123 PHE N . 51442 1 235 . 1 . 1 124 124 GLN H H 1 9.206 0.00 . . . . . . . 124 GLN H . 51442 1 236 . 1 . 1 124 124 GLN N N 15 116.651 0.00 . . . . . . . 124 GLN N . 51442 1 237 . 1 . 1 125 125 MET H H 1 8.814 0.00 . . . . . . . 125 MET H . 51442 1 238 . 1 . 1 125 125 MET N N 15 123.343 0.00 . . . . . . . 125 MET N . 51442 1 239 . 1 . 1 126 126 LEU H H 1 8.580 0.00 . . . . . . . 126 LEU H . 51442 1 240 . 1 . 1 126 126 LEU N N 15 128.056 0.00 . . . . . . . 126 LEU N . 51442 1 241 . 1 . 1 127 127 ASN H H 1 8.381 0.00 . . . . . . . 127 ASN H . 51442 1 242 . 1 . 1 127 127 ASN N N 15 121.114 0.00 . . . . . . . 127 ASN N . 51442 1 243 . 1 . 1 128 128 LYS H H 1 8.297 0.00 . . . . . . . 128 LYS H . 51442 1 244 . 1 . 1 128 128 LYS N N 15 123.267 0.00 . . . . . . . 128 LYS N . 51442 1 245 . 1 . 1 129 129 ASN H H 1 8.254 0.00 . . . . . . . 129 ASN H . 51442 1 246 . 1 . 1 129 129 ASN N N 15 119.805 0.00 . . . . . . . 129 ASN N . 51442 1 247 . 1 . 1 133 133 ASN H H 1 8.206 0.00 . . . . . . . 133 ASN H . 51442 1 248 . 1 . 1 133 133 ASN N N 15 119.291 0.00 . . . . . . . 133 ASN N . 51442 1 249 . 1 . 1 134 134 VAL H H 1 7.827 0.00 . . . . . . . 134 VAL H . 51442 1 250 . 1 . 1 134 134 VAL N N 15 120.779 0.00 . . . . . . . 134 VAL N . 51442 1 251 . 1 . 1 135 135 VAL H H 1 7.936 0.00 . . . . . . . 135 VAL H . 51442 1 252 . 1 . 1 135 135 VAL N N 15 124.060 0.00 . . . . . . . 135 VAL N . 51442 1 253 . 1 . 1 136 136 GLU H H 1 8.147 0.00 . . . . . . . 136 GLU H . 51442 1 254 . 1 . 1 136 136 GLU N N 15 124.402 0.00 . . . . . . . 136 GLU N . 51442 1 255 . 1 . 1 137 137 PHE H H 1 7.987 0.00 . . . . . . . 137 PHE H . 51442 1 256 . 1 . 1 137 137 PHE N N 15 120.791 0.00 . . . . . . . 137 PHE N . 51442 1 257 . 1 . 1 138 138 MET H H 1 8.061 0.00 . . . . . . . 138 MET H . 51442 1 258 . 1 . 1 138 138 MET N N 15 122.574 0.00 . . . . . . . 138 MET N . 51442 1 259 . 1 . 1 139 139 ASP H H 1 8.194 0.00 . . . . . . . 139 ASP H . 51442 1 260 . 1 . 1 139 139 ASP N N 15 122.294 0.00 . . . . . . . 139 ASP N . 51442 1 261 . 1 . 1 140 140 SER H H 1 8.001 0.00 . . . . . . . 140 SER H . 51442 1 262 . 1 . 1 140 140 SER N N 15 116.520 0.00 . . . . . . . 140 SER N . 51442 1 263 . 1 . 1 141 141 GLU H H 1 8.356 0.00 . . . . . . . 141 GLU H . 51442 1 264 . 1 . 1 141 141 GLU N N 15 123.118 0.00 . . . . . . . 141 GLU N . 51442 1 265 . 1 . 1 142 142 ASP H H 1 8.061 0.00 . . . . . . . 142 ASP H . 51442 1 266 . 1 . 1 142 142 ASP N N 15 120.979 0.00 . . . . . . . 142 ASP N . 51442 1 267 . 1 . 1 143 143 LEU H H 1 7.946 0.00 . . . . . . . 143 LEU H . 51442 1 268 . 1 . 1 143 143 LEU N N 15 123.145 0.00 . . . . . . . 143 LEU N . 51442 1 269 . 1 . 1 144 144 GLN H H 1 8.159 0.00 . . . . . . . 144 GLN H . 51442 1 270 . 1 . 1 144 144 GLN N N 15 120.525 0.00 . . . . . . . 144 GLN N . 51442 1 271 . 1 . 1 145 145 SER H H 1 8.026 0.00 . . . . . . . 145 SER H . 51442 1 272 . 1 . 1 145 145 SER N N 15 116.738 0.00 . . . . . . . 145 SER N . 51442 1 273 . 1 . 1 147 147 VAL H H 1 7.879 0.00 . . . . . . . 147 VAL H . 51442 1 274 . 1 . 1 147 147 VAL N N 15 121.464 0.00 . . . . . . . 147 VAL N . 51442 1 275 . 1 . 1 148 148 ASP H H 1 8.163 0.00 . . . . . . . 148 ASP H . 51442 1 276 . 1 . 1 148 148 ASP N N 15 123.961 0.00 . . . . . . . 148 ASP N . 51442 1 277 . 1 . 1 149 149 CYS H H 1 8.008 0.00 . . . . . . . 149 CYS H . 51442 1 278 . 1 . 1 149 149 CYS N N 15 120.600 0.00 . . . . . . . 149 CYS N . 51442 1 279 . 1 . 1 150 150 GLN H H 1 8.370 0.00 . . . . . . . 150 GLN H . 51442 1 280 . 1 . 1 150 150 GLN N N 15 124.439 0.00 . . . . . . . 150 GLN N . 51442 1 281 . 1 . 1 151 151 LEU H H 1 7.786 0.00 . . . . . . . 151 LEU H . 51442 1 282 . 1 . 1 151 151 LEU N N 15 122.821 0.00 . . . . . . . 151 LEU N . 51442 1 283 . 1 . 1 152 152 TYR H H 1 8.825 0.00 . . . . . . . 152 TYR H . 51442 1 284 . 1 . 1 152 152 TYR N N 15 120.764 0.00 . . . . . . . 152 TYR N . 51442 1 285 . 1 . 1 153 153 TYR H H 1 8.679 0.00 . . . . . . . 153 TYR H . 51442 1 286 . 1 . 1 153 153 TYR N N 15 122.552 0.00 . . . . . . . 153 TYR N . 51442 1 287 . 1 . 1 154 154 LEU H H 1 9.190 0.00 . . . . . . . 154 LEU H . 51442 1 288 . 1 . 1 154 154 LEU N N 15 126.889 0.00 . . . . . . . 154 LEU N . 51442 1 289 . 1 . 1 155 155 ILE H H 1 8.497 0.00 . . . . . . . 155 ILE H . 51442 1 290 . 1 . 1 155 155 ILE N N 15 128.095 0.00 . . . . . . . 155 ILE N . 51442 1 291 . 1 . 1 156 156 ASP H H 1 8.163 0.00 . . . . . . . 156 ASP H . 51442 1 292 . 1 . 1 156 156 ASP N N 15 128.493 0.00 . . . . . . . 156 ASP N . 51442 1 293 . 1 . 1 157 157 GLU H H 1 9.907 0.00 . . . . . . . 157 GLU H . 51442 1 294 . 1 . 1 157 157 GLU N N 15 118.504 0.00 . . . . . . . 157 GLU N . 51442 1 295 . 1 . 1 158 158 SER H H 1 7.976 0.00 . . . . . . . 158 SER H . 51442 1 296 . 1 . 1 158 158 SER N N 15 114.740 0.00 . . . . . . . 158 SER N . 51442 1 297 . 1 . 1 159 159 SER H H 1 7.441 0.00 . . . . . . . 159 SER H . 51442 1 298 . 1 . 1 159 159 SER N N 15 120.354 0.00 . . . . . . . 159 SER N . 51442 1 299 . 1 . 1 160 160 HIS H H 1 9.006 0.00 . . . . . . . 160 HIS H . 51442 1 300 . 1 . 1 160 160 HIS N N 15 122.148 0.00 . . . . . . . 160 HIS N . 51442 1 301 . 1 . 1 161 161 VAL H H 1 8.237 0.00 . . . . . . . 161 VAL H . 51442 1 302 . 1 . 1 161 161 VAL N N 15 124.797 0.00 . . . . . . . 161 VAL N . 51442 1 303 . 1 . 1 162 162 LEU H H 1 8.808 0.00 . . . . . . . 162 LEU H . 51442 1 304 . 1 . 1 162 162 LEU N N 15 127.255 0.00 . . . . . . . 162 LEU N . 51442 1 305 . 1 . 1 163 163 GLU H H 1 8.625 0.00 . . . . . . . 163 GLU H . 51442 1 306 . 1 . 1 163 163 GLU N N 15 123.299 0.00 . . . . . . . 163 GLU N . 51442 1 307 . 1 . 1 164 164 ASP H H 1 8.432 0.00 . . . . . . . 164 ASP H . 51442 1 308 . 1 . 1 164 164 ASP N N 15 124.328 0.00 . . . . . . . 164 ASP N . 51442 1 309 . 1 . 1 165 165 ASP H H 1 8.621 0.00 . . . . . . . 165 ASP H . 51442 1 310 . 1 . 1 165 165 ASP N N 15 124.327 0.00 . . . . . . . 165 ASP N . 51442 1 311 . 1 . 1 166 166 SER H H 1 8.166 0.00 . . . . . . . 166 SER H . 51442 1 312 . 1 . 1 166 166 SER N N 15 113.328 0.00 . . . . . . . 166 SER N . 51442 1 313 . 1 . 1 167 167 MET H H 1 7.753 0.00 . . . . . . . 167 MET H . 51442 1 314 . 1 . 1 167 167 MET N N 15 117.498 0.00 . . . . . . . 167 MET N . 51442 1 315 . 1 . 1 168 168 ASP H H 1 8.395 0.00 . . . . . . . 168 ASP H . 51442 1 316 . 1 . 1 168 168 ASP N N 15 122.181 0.00 . . . . . . . 168 ASP N . 51442 1 317 . 1 . 1 169 169 PHE H H 1 9.487 0.00 . . . . . . . 169 PHE H . 51442 1 318 . 1 . 1 169 169 PHE N N 15 124.878 0.00 . . . . . . . 169 PHE N . 51442 1 319 . 1 . 1 170 170 ILE H H 1 8.894 0.00 . . . . . . . 170 ILE H . 51442 1 320 . 1 . 1 170 170 ILE N N 15 122.562 0.00 . . . . . . . 170 ILE N . 51442 1 321 . 1 . 1 171 171 SER H H 1 8.176 0.00 . . . . . . . 171 SER H . 51442 1 322 . 1 . 1 171 171 SER N N 15 116.080 0.00 . . . . . . . 171 SER N . 51442 1 323 . 1 . 1 172 172 THR H H 1 7.322 0.00 . . . . . . . 172 THR H . 51442 1 324 . 1 . 1 172 172 THR N N 15 120.390 0.00 . . . . . . . 172 THR N . 51442 1 325 . 1 . 1 173 173 LEU H H 1 7.573 0.00 . . . . . . . 173 LEU H . 51442 1 326 . 1 . 1 173 173 LEU N N 15 121.670 0.00 . . . . . . . 173 LEU N . 51442 1 327 . 1 . 1 174 174 THR H H 1 8.087 0.00 . . . . . . . 174 THR H . 51442 1 328 . 1 . 1 174 174 THR N N 15 112.858 0.00 . . . . . . . 174 THR N . 51442 1 329 . 1 . 1 175 175 ARG H H 1 7.539 0.00 . . . . . . . 175 ARG H . 51442 1 330 . 1 . 1 175 175 ARG N N 15 121.728 0.00 . . . . . . . 175 ARG N . 51442 1 331 . 1 . 1 176 176 LEU H H 1 7.482 0.00 . . . . . . . 176 LEU H . 51442 1 332 . 1 . 1 176 176 LEU N N 15 119.860 0.00 . . . . . . . 176 LEU N . 51442 1 333 . 1 . 1 177 177 SER H H 1 8.103 0.00 . . . . . . . 177 SER H . 51442 1 334 . 1 . 1 177 177 SER N N 15 113.424 0.00 . . . . . . . 177 SER N . 51442 1 335 . 1 . 1 178 178 ASP H H 1 8.136 0.00 . . . . . . . 178 ASP H . 51442 1 336 . 1 . 1 178 178 ASP N N 15 124.837 0.00 . . . . . . . 178 ASP N . 51442 1 337 . 1 . 1 180 180 PHE H H 1 7.520 0.00 . . . . . . . 180 PHE H . 51442 1 338 . 1 . 1 180 180 PHE N N 15 121.266 0.00 . . . . . . . 180 PHE N . 51442 1 339 . 1 . 1 181 181 ASN H H 1 7.915 0.00 . . . . . . . 181 ASN H . 51442 1 340 . 1 . 1 181 181 ASN N N 15 119.638 0.00 . . . . . . . 181 ASN N . 51442 1 341 . 1 . 1 182 182 SER H H 1 8.134 0.00 . . . . . . . 182 SER H . 51442 1 342 . 1 . 1 182 182 SER N N 15 118.417 0.00 . . . . . . . 182 SER N . 51442 1 343 . 1 . 1 183 183 ASN H H 1 7.940 0.00 . . . . . . . 183 ASN H . 51442 1 344 . 1 . 1 183 183 ASN N N 15 126.569 0.00 . . . . . . . 183 ASN N . 51442 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_chemical_shifts_2 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_2 _Assigned_chem_shift_list.Entry_ID 51442 _Assigned_chem_shift_list.ID 2 _Assigned_chem_shift_list.Name 'Tetrahymena p50 peptide' _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 2 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_2 _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 8 '2D 1H-15N TROSY' . . . 51442 2 10 '3D CBCA(CO)NH' . . . 51442 2 11 '3D HNCA' . . . 51442 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 1 $software_1 . . 51442 2 2 $software_2 . . 51442 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 2 2 CYS H H 1 8.417 0.00 . . . . . . . 228 CYS H . 51442 2 2 . 2 . 2 2 2 CYS N N 15 121.306 0.00 . . . . . . . 228 CYS N . 51442 2 3 . 2 . 2 3 3 GLN H H 1 8.541 0.00 . . . . . . . 229 GLN H . 51442 2 4 . 2 . 2 3 3 GLN N N 15 122.287 0.00 . . . . . . . 229 GLN N . 51442 2 5 . 2 . 2 4 4 GLN H H 1 8.440 0.03 . . . . . . . 230 GLN H . 51442 2 6 . 2 . 2 4 4 GLN CA C 13 52.910 0.08 . . . . . . . 230 GLN CA . 51442 2 7 . 2 . 2 4 4 GLN N N 15 121.805 0.20 . . . . . . . 230 GLN N . 51442 2 8 . 2 . 2 5 5 ASP H H 1 8.395 0.07 . . . . . . . 231 ASP H . 51442 2 9 . 2 . 2 5 5 ASP C C 13 175.079 0.00 . . . . . . . 231 ASP C . 51442 2 10 . 2 . 2 5 5 ASP CA C 13 50.736 0.10 . . . . . . . 231 ASP CA . 51442 2 11 . 2 . 2 5 5 ASP CB C 13 38.685 0.10 . . . . . . . 231 ASP CB . 51442 2 12 . 2 . 2 5 5 ASP N N 15 122.044 0.19 . . . . . . . 231 ASP N . 51442 2 13 . 2 . 2 6 6 ASP H H 1 8.609 0.19 . . . . . . . 232 ASP H . 51442 2 14 . 2 . 2 6 6 ASP C C 13 174.746 0.00 . . . . . . . 232 ASP C . 51442 2 15 . 2 . 2 6 6 ASP CA C 13 54.504 0.06 . . . . . . . 232 ASP CA . 51442 2 16 . 2 . 2 6 6 ASP N N 15 124.707 1.57 . . . . . . . 232 ASP N . 51442 2 17 . 2 . 2 7 7 PHE H H 1 8.494 0.14 . . . . . . . 233 PHE H . 51442 2 18 . 2 . 2 7 7 PHE C C 13 172.661 0.00 . . . . . . . 233 PHE C . 51442 2 19 . 2 . 2 7 7 PHE CA C 13 55.491 0.15 . . . . . . . 233 PHE CA . 51442 2 20 . 2 . 2 7 7 PHE N N 15 118.496 0.94 . . . . . . . 233 PHE N . 51442 2 21 . 2 . 2 8 8 GLY H H 1 7.479 0.32 . . . . . . . 234 GLY H . 51442 2 22 . 2 . 2 8 8 GLY CA C 13 41.612 0.12 . . . . . . . 234 GLY CA . 51442 2 23 . 2 . 2 8 8 GLY N N 15 110.265 0.09 . . . . . . . 234 GLY N . 51442 2 24 . 2 . 2 9 9 ASP H H 1 8.485 0.12 . . . . . . . 235 ASP H . 51442 2 25 . 2 . 2 9 9 ASP C C 13 174.970 0.00 . . . . . . . 235 ASP C . 51442 2 26 . 2 . 2 9 9 ASP CA C 13 53.684 0.02 . . . . . . . 235 ASP CA . 51442 2 27 . 2 . 2 9 9 ASP N N 15 124.527 1.88 . . . . . . . 235 ASP N . 51442 2 28 . 2 . 2 10 10 GLY H H 1 8.781 0.17 . . . . . . . 236 GLY H . 51442 2 29 . 2 . 2 10 10 GLY C C 13 172.246 0.00 . . . . . . . 236 GLY C . 51442 2 30 . 2 . 2 10 10 GLY CA C 13 42.016 0.03 . . . . . . . 236 GLY CA . 51442 2 31 . 2 . 2 10 10 GLY N N 15 113.487 1.95 . . . . . . . 236 GLY N . 51442 2 32 . 2 . 2 11 11 CYS H H 1 8.147 0.02 . . . . . . . 237 CYS H . 51442 2 33 . 2 . 2 11 11 CYS C C 13 173.061 0.00 . . . . . . . 237 CYS C . 51442 2 34 . 2 . 2 11 11 CYS CA C 13 53.080 0.02 . . . . . . . 237 CYS CA . 51442 2 35 . 2 . 2 11 11 CYS N N 15 121.331 0.91 . . . . . . . 237 CYS N . 51442 2 36 . 2 . 2 12 12 LEU H H 1 8.452 0.13 . . . . . . . 238 LEU H . 51442 2 37 . 2 . 2 12 12 LEU C C 13 172.241 0.00 . . . . . . . 238 LEU C . 51442 2 38 . 2 . 2 12 12 LEU CA C 13 52.671 0.00 . . . . . . . 238 LEU CA . 51442 2 39 . 2 . 2 12 12 LEU N N 15 127.556 1.85 . . . . . . . 238 LEU N . 51442 2 40 . 2 . 2 13 13 LEU H H 1 8.123 0.03 . . . . . . . 239 LEU H . 51442 2 41 . 2 . 2 13 13 LEU C C 13 172.874 0.00 . . . . . . . 239 LEU C . 51442 2 42 . 2 . 2 13 13 LEU CA C 13 51.630 0.00 . . . . . . . 239 LEU CA . 51442 2 43 . 2 . 2 13 13 LEU N N 15 120.316 1.16 . . . . . . . 239 LEU N . 51442 2 44 . 2 . 2 14 14 GLN H H 1 9.017 0.32 . . . . . . . 240 GLN H . 51442 2 45 . 2 . 2 14 14 GLN C C 13 171.731 0.00 . . . . . . . 240 GLN C . 51442 2 46 . 2 . 2 14 14 GLN CA C 13 51.525 0.10 . . . . . . . 240 GLN CA . 51442 2 47 . 2 . 2 14 14 GLN CB C 13 30.108 0.07 . . . . . . . 240 GLN CB . 51442 2 48 . 2 . 2 14 14 GLN N N 15 120.130 0.34 . . . . . . . 240 GLN N . 51442 2 49 . 2 . 2 15 15 ILE H H 1 8.551 0.18 . . . . . . . 241 ILE H . 51442 2 50 . 2 . 2 15 15 ILE C C 13 171.844 0.00 . . . . . . . 241 ILE C . 51442 2 51 . 2 . 2 15 15 ILE CA C 13 59.422 0.08 . . . . . . . 241 ILE CA . 51442 2 52 . 2 . 2 15 15 ILE N N 15 127.690 1.78 . . . . . . . 241 ILE N . 51442 2 53 . 2 . 2 16 16 VAL H H 1 8.174 0.03 . . . . . . . 242 VAL H . 51442 2 54 . 2 . 2 16 16 VAL C C 13 171.970 0.00 . . . . . . . 242 VAL C . 51442 2 55 . 2 . 2 16 16 VAL CA C 13 59.195 0.13 . . . . . . . 242 VAL CA . 51442 2 56 . 2 . 2 16 16 VAL N N 15 126.394 0.86 . . . . . . . 242 VAL N . 51442 2 57 . 2 . 2 17 17 ASN H H 1 8.243 0.03 . . . . . . . 243 ASN H . 51442 2 58 . 2 . 2 17 17 ASN CA C 13 49.358 0.03 . . . . . . . 243 ASN CA . 51442 2 59 . 2 . 2 17 17 ASN N N 15 123.477 0.44 . . . . . . . 243 ASN N . 51442 2 60 . 2 . 2 18 18 TYR H H 1 8.056 0.04 . . . . . . . 244 TYR H . 51442 2 61 . 2 . 2 18 18 TYR CA C 13 55.968 0.10 . . . . . . . 244 TYR CA . 51442 2 62 . 2 . 2 18 18 TYR N N 15 121.812 0.18 . . . . . . . 244 TYR N . 51442 2 63 . 2 . 2 19 19 THR H H 1 7.821 0.20 . . . . . . . 245 THR H . 51442 2 64 . 2 . 2 19 19 THR N N 15 115.623 0.35 . . . . . . . 245 THR N . 51442 2 65 . 2 . 2 20 20 HIS H H 1 8.072 0.00 . . . . . . . 246 HIS H . 51442 2 66 . 2 . 2 20 20 HIS C C 13 173.063 0.00 . . . . . . . 246 HIS C . 51442 2 67 . 2 . 2 20 20 HIS N N 15 121.496 0.00 . . . . . . . 246 HIS N . 51442 2 68 . 2 . 2 21 21 GLN H H 1 8.427 0.12 . . . . . . . 247 GLN H . 51442 2 69 . 2 . 2 21 21 GLN C C 13 172.879 0.00 . . . . . . . 247 GLN C . 51442 2 70 . 2 . 2 21 21 GLN CA C 13 53.108 0.07 . . . . . . . 247 GLN CA . 51442 2 71 . 2 . 2 21 21 GLN CB C 13 26.995 0.00 . . . . . . . 247 GLN CB . 51442 2 72 . 2 . 2 21 21 GLN N N 15 121.940 0.15 . . . . . . . 247 GLN N . 51442 2 73 . 2 . 2 22 22 SER H H 1 8.378 0.00 . . . . . . . 248 SER H . 51442 2 74 . 2 . 2 22 22 SER C C 13 171.674 0.00 . . . . . . . 248 SER C . 51442 2 75 . 2 . 2 22 22 SER CA C 13 55.761 0.06 . . . . . . . 248 SER CA . 51442 2 76 . 2 . 2 22 22 SER CB C 13 61.102 0.00 . . . . . . . 248 SER CB . 51442 2 77 . 2 . 2 22 22 SER N N 15 117.344 0.01 . . . . . . . 248 SER N . 51442 2 78 . 2 . 2 23 23 LEU H H 1 8.230 0.00 . . . . . . . 249 LEU H . 51442 2 79 . 2 . 2 23 23 LEU C C 13 173.600 0.00 . . . . . . . 249 LEU C . 51442 2 80 . 2 . 2 23 23 LEU CA C 13 52.664 0.10 . . . . . . . 249 LEU CA . 51442 2 81 . 2 . 2 23 23 LEU CB C 13 39.460 0.00 . . . . . . . 249 LEU CB . 51442 2 82 . 2 . 2 23 23 LEU N N 15 124.650 0.06 . . . . . . . 249 LEU N . 51442 2 83 . 2 . 2 24 24 LYS H H 1 7.770 0.00 . . . . . . . 250 LYS H . 51442 2 84 . 2 . 2 24 24 LYS CA C 13 54.865 0.01 . . . . . . . 250 LYS CA . 51442 2 85 . 2 . 2 24 24 LYS N N 15 126.870 0.01 . . . . . . . 250 LYS N . 51442 2 stop_ save_