################################### # 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_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 6521 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_referencing _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 chemical shift values for wild type p53tet at pH 4.0.' _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 1H15N_HSQC 2 $sample_1 isotropic 6521 1 2 HNCA 3 $sample_2 isotropic 6521 1 3 HN(CO)CA 3 $sample_2 isotropic 6521 1 4 HNCACB 3 $sample_2 isotropic 6521 1 5 CBCA(CO)NH 3 $sample_2 isotropic 6521 1 6 1H15N_NOESY 2 $sample_1 isotropic 6521 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 . . 6521 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 HIS H H 1 8.502 . . . . . . . 8 HIS H . 6521 1 2 . 1 1 3 3 HIS N N 15 122.268 . . . . . . . 8 HIS N . 6521 1 3 . 1 1 4 4 MET H H 1 8.255 . . . . . . . 9 MET H . 6521 1 4 . 1 1 4 4 MET CA C 13 55.34815 . . . . . . . 9 MET CA . 6521 1 5 . 1 1 4 4 MET N N 15 122.938 . . . . . . . 9 MET N . 6521 1 6 . 1 1 5 5 ASN H H 1 8.412 . . . . . . . 10 ASN H . 6521 1 7 . 1 1 5 5 ASN N N 15 121.342 . . . . . . . 10 ASN N . 6521 1 8 . 1 1 6 6 ASN H H 1 8.322 . . . . . . . 11 ASN H . 6521 1 9 . 1 1 6 6 ASN CA C 13 53.32227 . . . . . . . 11 ASN CA . 6521 1 10 . 1 1 6 6 ASN N N 15 120.806 . . . . . . . 11 ASN N . 6521 1 11 . 1 1 7 7 THR H H 1 8.05 . . . . . . . 12 THR H . 6521 1 12 . 1 1 7 7 THR CA C 13 61.51926 . . . . . . . 12 THR CA . 6521 1 13 . 1 1 7 7 THR N N 15 115.352 . . . . . . . 12 THR N . 6521 1 14 . 1 1 8 8 SER H H 1 8.211 . . . . . . . 13 SER H . 6521 1 15 . 1 1 8 8 SER CA C 13 58.15683 . . . . . . . 13 SER CA . 6521 1 16 . 1 1 8 8 SER N N 15 119.157 . . . . . . . 13 SER N . 6521 1 17 . 1 1 9 9 SER H H 1 8.181 . . . . . . . 14 SER H . 6521 1 18 . 1 1 9 9 SER CA C 13 58.15683 . . . . . . . 14 SER CA . 6521 1 19 . 1 1 9 9 SER N N 15 118.938 . . . . . . . 14 SER N . 6521 1 20 . 1 1 10 10 SER H H 1 8.113 . . . . . . . 15 SER H . 6521 1 21 . 1 1 10 10 SER CA C 13 56.39097 . . . . . . . 15 SER CA . 6521 1 22 . 1 1 10 10 SER N N 15 120.121 . . . . . . . 15 SER N . 6521 1 23 . 1 1 11 11 PRO CA C 13 63.03533 . . . . . . . 16 PRO CA . 6521 1 24 . 1 1 12 12 GLN H H 1 7.936 . . . . . . . 17 GLN H . 6521 1 25 . 1 1 12 12 GLN N N 15 120.426 . . . . . . . 17 GLN N . 6521 1 26 . 1 1 14 14 LYS H H 1 8.268 . . . . . . . 19 LYS H . 6521 1 27 . 1 1 14 14 LYS CA C 13 56.30585 . . . . . . . 19 LYS CA . 6521 1 28 . 1 1 14 14 LYS N N 15 123.222 . . . . . . . 19 LYS N . 6521 1 29 . 1 1 15 15 LYS H H 1 8.074 . . . . . . . 20 LYS H . 6521 1 30 . 1 1 15 15 LYS CA C 13 56.24077 . . . . . . . 20 LYS CA . 6521 1 31 . 1 1 15 15 LYS N N 15 124.207 . . . . . . . 20 LYS N . 6521 1 32 . 1 1 16 16 LYS H H 1 7.956 . . . . . . . 21 LYS H . 6521 1 33 . 1 1 16 16 LYS CA C 13 54.23303 . . . . . . . 21 LYS CA . 6521 1 34 . 1 1 16 16 LYS N N 15 123.097 . . . . . . . 21 LYS N . 6521 1 35 . 1 1 17 17 PRO CA C 13 63.08745 . . . . . . . 22 PRO CA . 6521 1 36 . 1 1 18 18 LEU H H 1 8.218 . . . . . . . 23 LEU H . 6521 1 37 . 1 1 18 18 LEU CA C 13 55.11242 . . . . . . . 23 LEU CA . 6521 1 38 . 1 1 18 18 LEU N N 15 123.28 . . . . . . . 23 LEU N . 6521 1 39 . 1 1 19 19 ASP H H 1 8.127 . . . . . . . 24 ASP H . 6521 1 40 . 1 1 19 19 ASP CA C 13 54.14381 . . . . . . . 24 ASP CA . 6521 1 41 . 1 1 19 19 ASP N N 15 122.646 . . . . . . . 24 ASP N . 6521 1 42 . 1 1 20 20 GLY H H 1 8.091 . . . . . . . 25 GLY H . 6521 1 43 . 1 1 20 20 GLY CA C 13 44.89923 . . . . . . . 25 GLY CA . 6521 1 44 . 1 1 20 20 GLY N N 15 110.296 . . . . . . . 25 GLY N . 6521 1 45 . 1 1 21 21 GLU H H 1 7.837 . . . . . . . 26 GLU H . 6521 1 46 . 1 1 21 21 GLU CA C 13 56.00053 . . . . . . . 26 GLU CA . 6521 1 47 . 1 1 21 21 GLU N N 15 121.99 . . . . . . . 26 GLU N . 6521 1 48 . 1 1 22 22 TYR H H 1 7.827 . . . . . . . 27 TYR H . 6521 1 49 . 1 1 22 22 TYR CA C 13 57.3091 . . . . . . . 27 TYR CA . 6521 1 50 . 1 1 22 22 TYR N N 15 121.256 . . . . . . . 27 TYR N . 6521 1 51 . 1 1 23 23 PHE H H 1 9.15 . . . . . . . 28 PHE H . 6521 1 52 . 1 1 23 23 PHE CA C 13 56.54295 . . . . . . . 28 PHE CA . 6521 1 53 . 1 1 23 23 PHE N N 15 122.392 . . . . . . . 28 PHE N . 6521 1 54 . 1 1 24 24 THR H H 1 8.25 . . . . . . . 29 THR H . 6521 1 55 . 1 1 24 24 THR CA C 13 61.41326 . . . . . . . 29 THR CA . 6521 1 56 . 1 1 24 24 THR N N 15 115.644 . . . . . . . 29 THR N . 6521 1 57 . 1 1 25 25 LEU H H 1 8.791 . . . . . . . 30 LEU H . 6521 1 58 . 1 1 25 25 LEU CA C 13 53.30207 . . . . . . . 30 LEU CA . 6521 1 59 . 1 1 25 25 LEU N N 15 128.02 . . . . . . . 30 LEU N . 6521 1 60 . 1 1 26 26 GLN H H 1 8.497 . . . . . . . 31 GLN H . 6521 1 61 . 1 1 26 26 GLN CA C 13 54.91596 . . . . . . . 31 GLN CA . 6521 1 62 . 1 1 26 26 GLN N N 15 126.421 . . . . . . . 31 GLN N . 6521 1 63 . 1 1 27 27 ILE H H 1 9.24 . . . . . . . 32 ILE H . 6521 1 64 . 1 1 27 27 ILE CA C 13 59.33935 . . . . . . . 32 ILE CA . 6521 1 65 . 1 1 27 27 ILE N N 15 127.865 . . . . . . . 32 ILE N . 6521 1 66 . 1 1 28 28 ARG H H 1 9.649 . . . . . . . 33 ARG H . 6521 1 67 . 1 1 28 28 ARG CA C 13 56.08375 . . . . . . . 33 ARG CA . 6521 1 68 . 1 1 28 28 ARG N N 15 131.598 . . . . . . . 33 ARG N . 6521 1 69 . 1 1 29 29 GLY H H 1 8.55 . . . . . . . 34 GLY H . 6521 1 70 . 1 1 29 29 GLY CA C 13 44.89077 . . . . . . . 34 GLY CA . 6521 1 71 . 1 1 29 29 GLY N N 15 116.299 . . . . . . . 34 GLY N . 6521 1 72 . 1 1 30 30 ARG H H 1 8.776 . . . . . . . 35 ARG H . 6521 1 73 . 1 1 30 30 ARG CA C 13 58.89011 . . . . . . . 35 ARG CA . 6521 1 74 . 1 1 30 30 ARG N N 15 127.594 . . . . . . . 35 ARG N . 6521 1 75 . 1 1 31 31 GLU H H 1 8.688 . . . . . . . 36 GLU H . 6521 1 76 . 1 1 31 31 GLU CA C 13 60.3909 . . . . . . . 36 GLU CA . 6521 1 77 . 1 1 31 31 GLU N N 15 119.714 . . . . . . . 36 GLU N . 6521 1 78 . 1 1 32 32 ARG H H 1 7.827 . . . . . . . 37 ARG H . 6521 1 79 . 1 1 32 32 ARG CA C 13 56.20694 . . . . . . . 37 ARG CA . 6521 1 80 . 1 1 32 32 ARG N N 15 124.094 . . . . . . . 37 ARG N . 6521 1 81 . 1 1 33 33 PHE H H 1 8.255 . . . . . . . 38 PHE H . 6521 1 82 . 1 1 33 33 PHE CA C 13 61.97559 . . . . . . . 38 PHE CA . 6521 1 83 . 1 1 33 33 PHE N N 15 121.67 . . . . . . . 38 PHE N . 6521 1 84 . 1 1 34 34 GLU H H 1 8.396 . . . . . . . 39 GLU H . 6521 1 85 . 1 1 34 34 GLU CA C 13 58.98247 . . . . . . . 39 GLU CA . 6521 1 86 . 1 1 34 34 GLU N N 15 119.473 . . . . . . . 39 GLU N . 6521 1 87 . 1 1 35 35 MET H H 1 7.425 . . . . . . . 40 MET H . 6521 1 88 . 1 1 35 35 MET CA C 13 58.9635 . . . . . . . 40 MET CA . 6521 1 89 . 1 1 35 35 MET N N 15 121.919 . . . . . . . 40 MET N . 6521 1 90 . 1 1 36 36 PHE H H 1 7.86 . . . . . . . 41 PHE H . 6521 1 91 . 1 1 36 36 PHE CA C 13 60.76184 . . . . . . . 41 PHE CA . 6521 1 92 . 1 1 36 36 PHE N N 15 119.043 . . . . . . . 41 PHE N . 6521 1 93 . 1 1 37 37 ARG H H 1 9.09 . . . . . . . 42 ARG H . 6521 1 94 . 1 1 37 37 ARG CA C 13 59.8272 . . . . . . . 42 ARG CA . 6521 1 95 . 1 1 37 37 ARG N N 15 122.386 . . . . . . . 42 ARG N . 6521 1 96 . 1 1 38 38 GLU H H 1 7.75 . . . . . . . 43 GLU H . 6521 1 97 . 1 1 38 38 GLU CA C 13 59.45067 . . . . . . . 43 GLU CA . 6521 1 98 . 1 1 38 38 GLU N N 15 121.564 . . . . . . . 43 GLU N . 6521 1 99 . 1 1 39 39 LEU H H 1 7.658 . . . . . . . 44 LEU H . 6521 1 100 . 1 1 39 39 LEU CA C 13 57.95821 . . . . . . . 44 LEU CA . 6521 1 101 . 1 1 39 39 LEU N N 15 119.646 . . . . . . . 44 LEU N . 6521 1 102 . 1 1 40 40 ASN H H 1 8.649 . . . . . . . 45 ASN H . 6521 1 103 . 1 1 40 40 ASN CA C 13 57.1855 . . . . . . . 45 ASN CA . 6521 1 104 . 1 1 40 40 ASN N N 15 118.448 . . . . . . . 45 ASN N . 6521 1 105 . 1 1 41 41 GLU H H 1 8.658 . . . . . . . 46 GLU H . 6521 1 106 . 1 1 41 41 GLU CA C 13 59.27851 . . . . . . . 46 GLU CA . 6521 1 107 . 1 1 41 41 GLU N N 15 119.701 . . . . . . . 46 GLU N . 6521 1 108 . 1 1 42 42 ALA H H 1 7.959 . . . . . . . 47 ALA H . 6521 1 109 . 1 1 42 42 ALA CA C 13 55.25634 . . . . . . . 47 ALA CA . 6521 1 110 . 1 1 42 42 ALA N N 15 123.333 . . . . . . . 47 ALA N . 6521 1 111 . 1 1 43 43 LEU H H 1 8.238 . . . . . . . 48 LEU H . 6521 1 112 . 1 1 43 43 LEU CA C 13 57.908 . . . . . . . 48 LEU CA . 6521 1 113 . 1 1 43 43 LEU N N 15 121.453 . . . . . . . 48 LEU N . 6521 1 114 . 1 1 44 44 GLU H H 1 8.255 . . . . . . . 49 GLU H . 6521 1 115 . 1 1 44 44 GLU CA C 13 59.73648 . . . . . . . 49 GLU CA . 6521 1 116 . 1 1 44 44 GLU N N 15 120.053 . . . . . . . 49 GLU N . 6521 1 117 . 1 1 45 45 LEU H H 1 8.041 . . . . . . . 50 LEU H . 6521 1 118 . 1 1 45 45 LEU CA C 13 57.76803 . . . . . . . 50 LEU CA . 6521 1 119 . 1 1 45 45 LEU N N 15 125.08 . . . . . . . 50 LEU N . 6521 1 120 . 1 1 46 46 LYS H H 1 7.739 . . . . . . . 51 LYS H . 6521 1 121 . 1 1 46 46 LYS CA C 13 59.46336 . . . . . . . 51 LYS CA . 6521 1 122 . 1 1 46 46 LYS N N 15 122.909 . . . . . . . 51 LYS N . 6521 1 123 . 1 1 47 47 ASP H H 1 8.109 . . . . . . . 52 ASP H . 6521 1 124 . 1 1 47 47 ASP CA C 13 56.73121 . . . . . . . 52 ASP CA . 6521 1 125 . 1 1 47 47 ASP N N 15 121.535 . . . . . . . 52 ASP N . 6521 1 126 . 1 1 48 48 ALA H H 1 7.539 . . . . . . . 53 ALA H . 6521 1 127 . 1 1 48 48 ALA CA C 13 53.8565 . . . . . . . 53 ALA CA . 6521 1 128 . 1 1 48 48 ALA N N 15 122.322 . . . . . . . 53 ALA N . 6521 1 129 . 1 1 49 49 GLN H H 1 7.729 . . . . . . . 54 GLN H . 6521 1 130 . 1 1 49 49 GLN CA C 13 56.5585 . . . . . . . 54 GLN CA . 6521 1 131 . 1 1 49 49 GLN N N 15 118.236 . . . . . . . 54 GLN N . 6521 1 132 . 1 1 50 50 ALA H H 1 7.693 . . . . . . . 55 ALA H . 6521 1 133 . 1 1 50 50 ALA CA C 13 53.1205 . . . . . . . 55 ALA CA . 6521 1 134 . 1 1 50 50 ALA N N 15 123.961 . . . . . . . 55 ALA N . 6521 1 135 . 1 1 51 51 GLY H H 1 8.06 . . . . . . . 56 GLY H . 6521 1 136 . 1 1 51 51 GLY CA C 13 45.36198 . . . . . . . 56 GLY CA . 6521 1 137 . 1 1 51 51 GLY N N 15 108.609 . . . . . . . 56 GLY N . 6521 1 138 . 1 1 52 52 LYS H H 1 7.786 . . . . . . . 57 LYS H . 6521 1 139 . 1 1 52 52 LYS CA C 13 55.81595 . . . . . . . 57 LYS CA . 6521 1 140 . 1 1 52 52 LYS N N 15 121.835 . . . . . . . 57 LYS N . 6521 1 141 . 1 1 53 53 GLU H H 1 8.283 . . . . . . . 58 GLU H . 6521 1 142 . 1 1 53 53 GLU CA C 13 54.3202 . . . . . . . 58 GLU CA . 6521 1 143 . 1 1 53 53 GLU N N 15 126.176 . . . . . . . 58 GLU N . 6521 1 144 . 1 1 54 54 PRO CA C 13 63.18758 . . . . . . . 59 PRO CA . 6521 1 145 . 1 1 55 55 GLY H H 1 7.879 . . . . . . . 60 GLY H . 6521 1 146 . 1 1 55 55 GLY CA C 13 46.29756 . . . . . . . 60 GLY CA . 6521 1 147 . 1 1 55 55 GLY N N 15 116.629 . . . . . . . 60 GLY N . 6521 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_chem_shift_list_2 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chem_shift_list_2 _Assigned_chem_shift_list.Entry_ID 6521 _Assigned_chem_shift_list.ID 2 _Assigned_chem_shift_list.Sample_condition_list_ID 2 _Assigned_chem_shift_list.Sample_condition_list_label $conditions_2 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_referencing _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 chemical shift values for wild type p53tet at pH 4.0.' _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 1H15N_HSQC 2 $sample_1 isotropic 6521 2 2 HNCA 3 $sample_2 isotropic 6521 2 3 HN(CO)CA 3 $sample_2 isotropic 6521 2 4 HNCACB 3 $sample_2 isotropic 6521 2 5 CBCA(CO)NH 3 $sample_2 isotropic 6521 2 6 1H15N_NOESY 2 $sample_1 isotropic 6521 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 . $method_1 6521 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 . 1 1 1 1 GLY CA C 13 43.32384 . . . . . . . 6 GLY CA . 6521 2 2 . 1 1 2 2 SER H H 1 8.478 . . . . . . . 7 SER H . 6521 2 3 . 1 1 2 2 SER CA C 13 58.25784 . . . . . . . 7 SER CA . 6521 2 4 . 1 1 2 2 SER N N 15 116.745 . . . . . . . 7 SER N . 6521 2 5 . 1 1 3 3 HIS H H 1 8.543 . . . . . . . 8 HIS H . 6521 2 6 . 1 1 3 3 HIS CA C 13 55.3554 . . . . . . . 8 HIS CA . 6521 2 7 . 1 1 3 3 HIS N N 15 121.776 . . . . . . . 8 HIS N . 6521 2 8 . 1 1 4 4 MET H H 1 8.281 . . . . . . . 9 MET H . 6521 2 9 . 1 1 4 4 MET CA C 13 55.45662 . . . . . . . 9 MET CA . 6521 2 10 . 1 1 4 4 MET N N 15 123.082 . . . . . . . 9 MET N . 6521 2 11 . 1 1 5 5 ASN H H 1 8.399 . . . . . . . 10 ASN H . 6521 2 12 . 1 1 5 5 ASN CA C 13 53.22237 . . . . . . . 10 ASN CA . 6521 2 13 . 1 1 5 5 ASN N N 15 121.499 . . . . . . . 10 ASN N . 6521 2 14 . 1 1 6 6 ASN CA C 13 53.22237 . . . . . . . 11 ASN CA . 6521 2 15 . 1 1 7 7 THR H H 1 8.036 . . . . . . . 12 THR H . 6521 2 16 . 1 1 7 7 THR CA C 13 61.98397 . . . . . . . 12 THR CA . 6521 2 17 . 1 1 7 7 THR N N 15 115.425 . . . . . . . 12 THR N . 6521 2 18 . 1 1 8 8 SER H H 1 8.198 . . . . . . . 13 SER H . 6521 2 19 . 1 1 8 8 SER CA C 13 58.52877 . . . . . . . 13 SER CA . 6521 2 20 . 1 1 8 8 SER N N 15 119.233 . . . . . . . 13 SER N . 6521 2 21 . 1 1 9 9 SER H H 1 8.165 . . . . . . . 14 SER H . 6521 2 22 . 1 1 9 9 SER CA C 13 58.25538 . . . . . . . 14 SER CA . 6521 2 23 . 1 1 9 9 SER N N 15 118.984 . . . . . . . 14 SER N . 6521 2 24 . 1 1 10 10 SER H H 1 8.109 . . . . . . . 15 SER H . 6521 2 25 . 1 1 10 10 SER CA C 13 55.64543 . . . . . . . 15 SER CA . 6521 2 26 . 1 1 10 10 SER N N 15 120.168 . . . . . . . 15 SER N . 6521 2 27 . 1 1 11 11 PRO CA C 13 63.47912 . . . . . . . 16 PRO CA . 6521 2 28 . 1 1 12 12 GLN H H 1 7.921 . . . . . . . 17 GLN H . 6521 2 29 . 1 1 12 12 GLN CA C 13 52.91788 . . . . . . . 17 GLN CA . 6521 2 30 . 1 1 12 12 GLN N N 15 120.482 . . . . . . . 17 GLN N . 6521 2 31 . 1 1 13 13 PRO CA C 13 62.92472 . . . . . . . 18 PRO CA . 6521 2 32 . 1 1 14 14 LYS H H 1 8.255 . . . . . . . 19 LYS H . 6521 2 33 . 1 1 14 14 LYS CA C 13 56.20256 . . . . . . . 19 LYS CA . 6521 2 34 . 1 1 14 14 LYS N N 15 123.247 . . . . . . . 19 LYS N . 6521 2 35 . 1 1 15 15 LYS H H 1 8.152 . . . . . . . 20 LYS H . 6521 2 36 . 1 1 15 15 LYS CA C 13 56.20201 . . . . . . . 20 LYS CA . 6521 2 37 . 1 1 15 15 LYS N N 15 124.356 . . . . . . . 20 LYS N . 6521 2 38 . 1 1 16 16 LYS H H 1 8.04 . . . . . . . 21 LYS H . 6521 2 39 . 1 1 16 16 LYS CA C 13 54.14919 . . . . . . . 21 LYS CA . 6521 2 40 . 1 1 16 16 LYS N N 15 124.178 . . . . . . . 21 LYS N . 6521 2 41 . 1 1 17 17 PRO CA C 13 63.10479 . . . . . . . 22 PRO CA . 6521 2 42 . 1 1 18 18 LEU H H 1 8.192 . . . . . . . 23 LEU H . 6521 2 43 . 1 1 18 18 LEU CA C 13 55.26946 . . . . . . . 23 LEU CA . 6521 2 44 . 1 1 18 18 LEU N N 15 123.417 . . . . . . . 23 LEU N . 6521 2 45 . 1 1 19 19 ASP H H 1 8.154 . . . . . . . 24 ASP H . 6521 2 46 . 1 1 19 19 ASP CA C 13 54.15028 . . . . . . . 24 ASP CA . 6521 2 47 . 1 1 19 19 ASP N N 15 122.164 . . . . . . . 24 ASP N . 6521 2 48 . 1 1 20 20 GLY H H 1 8.085 . . . . . . . 25 GLY H . 6521 2 49 . 1 1 20 20 GLY CA C 13 45.18705 . . . . . . . 25 GLY CA . 6521 2 50 . 1 1 20 20 GLY N N 15 110.402 . . . . . . . 25 GLY N . 6521 2 51 . 1 1 21 21 GLU H H 1 7.761 . . . . . . . 26 GLU H . 6521 2 52 . 1 1 21 21 GLU CA C 13 55.91281 . . . . . . . 26 GLU CA . 6521 2 53 . 1 1 21 21 GLU N N 15 121.335 . . . . . . . 26 GLU N . 6521 2 54 . 1 1 22 22 TYR H H 1 7.763 . . . . . . . 27 TYR H . 6521 2 55 . 1 1 22 22 TYR CA C 13 57.32719 . . . . . . . 27 TYR CA . 6521 2 56 . 1 1 22 22 TYR N N 15 120.81 . . . . . . . 27 TYR N . 6521 2 57 . 1 1 23 23 PHE H H 1 9.082 . . . . . . . 28 PHE H . 6521 2 58 . 1 1 23 23 PHE CA C 13 56.5758 . . . . . . . 28 PHE CA . 6521 2 59 . 1 1 23 23 PHE N N 15 122.392 . . . . . . . 28 PHE N . 6521 2 60 . 1 1 24 24 THR H H 1 8.25 . . . . . . . 29 THR H . 6521 2 61 . 1 1 24 24 THR CA C 13 61.23967 . . . . . . . 29 THR CA . 6521 2 62 . 1 1 24 24 THR N N 15 115.81 . . . . . . . 29 THR N . 6521 2 63 . 1 1 25 25 LEU H H 1 8.739 . . . . . . . 30 LEU H . 6521 2 64 . 1 1 25 25 LEU CA C 13 53.39943 . . . . . . . 30 LEU CA . 6521 2 65 . 1 1 25 25 LEU N N 15 127.789 . . . . . . . 30 LEU N . 6521 2 66 . 1 1 26 26 GLN H H 1 8.464 . . . . . . . 31 GLN H . 6521 2 67 . 1 1 26 26 GLN CA C 13 55.26618 . . . . . . . 31 GLN CA . 6521 2 68 . 1 1 26 26 GLN N N 15 126.414 . . . . . . . 31 GLN N . 6521 2 69 . 1 1 27 27 ILE H H 1 9.232 . . . . . . . 32 ILE H . 6521 2 70 . 1 1 27 27 ILE CA C 13 59.56227 . . . . . . . 32 ILE CA . 6521 2 71 . 1 1 27 27 ILE N N 15 127.889 . . . . . . . 32 ILE N . 6521 2 72 . 1 1 28 28 ARG H H 1 9.461 . . . . . . . 33 ARG H . 6521 2 73 . 1 1 28 28 ARG CA C 13 55.45772 . . . . . . . 33 ARG CA . 6521 2 74 . 1 1 28 28 ARG N N 15 131.219 . . . . . . . 33 ARG N . 6521 2 75 . 1 1 29 29 GLY H H 1 8.529 . . . . . . . 34 GLY H . 6521 2 76 . 1 1 29 29 GLY CA C 13 44.62064 . . . . . . . 34 GLY CA . 6521 2 77 . 1 1 29 29 GLY N N 15 116.132 . . . . . . . 34 GLY N . 6521 2 78 . 1 1 30 30 ARG H H 1 8.684 . . . . . . . 35 ARG H . 6521 2 79 . 1 1 30 30 ARG CA C 13 59.56227 . . . . . . . 35 ARG CA . 6521 2 80 . 1 1 30 30 ARG N N 15 127.599 . . . . . . . 35 ARG N . 6521 2 81 . 1 1 31 31 GLU H H 1 8.597 . . . . . . . 36 GLU H . 6521 2 82 . 1 1 31 31 GLU CA C 13 59.75053 . . . . . . . 36 GLU CA . 6521 2 83 . 1 1 31 31 GLU N N 15 120.077 . . . . . . . 36 GLU N . 6521 2 84 . 1 1 32 32 ARG H H 1 8.241 . . . . . . . 37 ARG H . 6521 2 85 . 1 1 32 32 ARG CA C 13 59.553 . . . . . . . 37 ARG CA . 6521 2 86 . 1 1 32 32 ARG N N 15 121.207 . . . . . . . 37 ARG N . 6521 2 87 . 1 1 33 33 PHE H H 1 8.241 . . . . . . . 38 PHE H . 6521 2 88 . 1 1 33 33 PHE CA C 13 61.63393 . . . . . . . 38 PHE CA . 6521 2 89 . 1 1 33 33 PHE N N 15 121.207 . . . . . . . 38 PHE N . 6521 2 90 . 1 1 34 34 GLU H H 1 8.316 . . . . . . . 39 GLU H . 6521 2 91 . 1 1 34 34 GLU CA C 13 58.81743 . . . . . . . 39 GLU CA . 6521 2 92 . 1 1 34 34 GLU N N 15 119.391 . . . . . . . 39 GLU N . 6521 2 93 . 1 1 35 35 MET H H 1 7.465 . . . . . . . 40 MET H . 6521 2 94 . 1 1 35 35 MET CA C 13 58.4431 . . . . . . . 40 MET CA . 6521 2 95 . 1 1 35 35 MET N N 15 121.63 . . . . . . . 40 MET N . 6521 2 96 . 1 1 36 36 PHE H H 1 7.898 . . . . . . . 41 PHE H . 6521 2 97 . 1 1 36 36 PHE CA C 13 61.61128 . . . . . . . 41 PHE CA . 6521 2 98 . 1 1 36 36 PHE N N 15 118.973 . . . . . . . 41 PHE N . 6521 2 99 . 1 1 37 37 ARG H H 1 9.015 . . . . . . . 42 ARG H . 6521 2 100 . 1 1 37 37 ARG CA C 13 59.74916 . . . . . . . 42 ARG CA . 6521 2 101 . 1 1 37 37 ARG N N 15 122.421 . . . . . . . 42 ARG N . 6521 2 102 . 1 1 38 38 GLU H H 1 7.826 . . . . . . . 43 GLU H . 6521 2 103 . 1 1 38 38 GLU CA C 13 59.31126 . . . . . . . 43 GLU CA . 6521 2 104 . 1 1 38 38 GLU N N 15 124.138 . . . . . . . 43 GLU N . 6521 2 105 . 1 1 39 39 LEU H H 1 7.71 . . . . . . . 44 LEU H . 6521 2 106 . 1 1 39 39 LEU CA C 13 58.25593 . . . . . . . 44 LEU CA . 6521 2 107 . 1 1 39 39 LEU N N 15 120.139 . . . . . . . 44 LEU N . 6521 2 108 . 1 1 40 40 ASN H H 1 8.648 . . . . . . . 45 ASN H . 6521 2 109 . 1 1 40 40 ASN CA C 13 57.50727 . . . . . . . 45 ASN CA . 6521 2 110 . 1 1 40 40 ASN N N 15 118.782 . . . . . . . 45 ASN N . 6521 2 111 . 1 1 41 41 GLU H H 1 8.619 . . . . . . . 46 GLU H . 6521 2 112 . 1 1 41 41 GLU CA C 13 59.00023 . . . . . . . 46 GLU CA . 6521 2 113 . 1 1 41 41 GLU N N 15 118.911 . . . . . . . 46 GLU N . 6521 2 114 . 1 1 42 42 ALA H H 1 7.821 . . . . . . . 47 ALA H . 6521 2 115 . 1 1 42 42 ALA CA C 13 55.45717 . . . . . . . 47 ALA CA . 6521 2 116 . 1 1 42 42 ALA N N 15 123.244 . . . . . . . 47 ALA N . 6521 2 117 . 1 1 43 43 LEU H H 1 8.374 . . . . . . . 48 LEU H . 6521 2 118 . 1 1 43 43 LEU CA C 13 58.55933 . . . . . . . 48 LEU CA . 6521 2 119 . 1 1 43 43 LEU N N 15 122.261 . . . . . . . 48 LEU N . 6521 2 120 . 1 1 44 44 GLU H H 1 7.97 . . . . . . . 49 GLU H . 6521 2 121 . 1 1 44 44 GLU CA C 13 58.62126 . . . . . . . 49 GLU CA . 6521 2 122 . 1 1 44 44 GLU N N 15 124.354 . . . . . . . 49 GLU N . 6521 2 123 . 1 1 45 45 LEU H H 1 7.925 . . . . . . . 50 LEU H . 6521 2 124 . 1 1 45 45 LEU CA C 13 57.87887 . . . . . . . 50 LEU CA . 6521 2 125 . 1 1 45 45 LEU N N 15 124.591 . . . . . . . 50 LEU N . 6521 2 126 . 1 1 46 46 LYS H H 1 7.669 . . . . . . . 51 LYS H . 6521 2 127 . 1 1 46 46 LYS CA C 13 59.37594 . . . . . . . 51 LYS CA . 6521 2 128 . 1 1 46 46 LYS N N 15 122.423 . . . . . . . 51 LYS N . 6521 2 129 . 1 1 47 47 ASP H H 1 8.019 . . . . . . . 52 ASP H . 6521 2 130 . 1 1 47 47 ASP CA C 13 56.94304 . . . . . . . 52 ASP CA . 6521 2 131 . 1 1 47 47 ASP N N 15 121.25 . . . . . . . 52 ASP N . 6521 2 132 . 1 1 48 48 ALA H H 1 7.55 . . . . . . . 53 ALA H . 6521 2 133 . 1 1 48 48 ALA CA C 13 53.96693 . . . . . . . 53 ALA CA . 6521 2 134 . 1 1 48 48 ALA N N 15 122.597 . . . . . . . 53 ALA N . 6521 2 135 . 1 1 49 49 GLN H H 1 7.747 . . . . . . . 54 GLN H . 6521 2 136 . 1 1 49 49 GLN CA C 13 56.76515 . . . . . . . 54 GLN CA . 6521 2 137 . 1 1 49 49 GLN N N 15 118.492 . . . . . . . 54 GLN N . 6521 2 138 . 1 1 50 50 ALA H H 1 7.711 . . . . . . . 55 ALA H . 6521 2 139 . 1 1 50 50 ALA CA C 13 53.21745 . . . . . . . 55 ALA CA . 6521 2 140 . 1 1 50 50 ALA N N 15 123.831 . . . . . . . 55 ALA N . 6521 2 141 . 1 1 51 51 GLY H H 1 8.008 . . . . . . . 56 GLY H . 6521 2 142 . 1 1 51 51 GLY CA C 13 45.56602 . . . . . . . 56 GLY CA . 6521 2 143 . 1 1 51 51 GLY N N 15 108.585 . . . . . . . 56 GLY N . 6521 2 144 . 1 1 52 52 LYS H H 1 7.77 . . . . . . . 57 LYS H . 6521 2 145 . 1 1 52 52 LYS CA C 13 56.01921 . . . . . . . 57 LYS CA . 6521 2 146 . 1 1 52 52 LYS N N 15 121.798 . . . . . . . 57 LYS N . 6521 2 147 . 1 1 53 53 GLU H H 1 8.256 . . . . . . . 58 GLU H . 6521 2 148 . 1 1 53 53 GLU CA C 13 54.33881 . . . . . . . 58 GLU CA . 6521 2 149 . 1 1 53 53 GLU N N 15 126.149 . . . . . . . 58 GLU N . 6521 2 150 . 1 1 54 54 PRO CA C 13 63.48021 . . . . . . . 59 PRO CA . 6521 2 151 . 1 1 55 55 GLY H H 1 7.918 . . . . . . . 60 GLY H . 6521 2 152 . 1 1 55 55 GLY CA C 13 45.94007 . . . . . . . 60 GLY CA . 6521 2 153 . 1 1 55 55 GLY N N 15 115.481 . . . . . . . 60 GLY N . 6521 2 stop_ save_