################################### # 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 6522 _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 'Chemical shift assignments for p53tet-R337H at pH 6.0' _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 . . isotropic 6522 1 2 HNCA . . isotropic 6522 1 3 HN(CO)CA . . isotropic 6522 1 4 HNCACB . . isotropic 6522 1 5 CBCA(CO)NH . . isotropic 6522 1 6 1H15N_NOESY . . isotropic 6522 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 . . 6522 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 MET H H 1 8.313 . . . . . . . 10 MET H . 6522 1 2 . 1 1 4 4 MET CA C 13 55.11147 . . . . . . . 10 MET CA . 6522 1 3 . 1 1 4 4 MET N N 15 123.176 . . . . . . . 10 MET N . 6522 1 4 . 1 1 5 5 ASN H H 1 8.469 . . . . . . . 11 ASN H . 6522 1 5 . 1 1 5 5 ASN CA C 13 52.97075 . . . . . . . 11 ASN CA . 6522 1 6 . 1 1 5 5 ASN N N 15 121.892 . . . . . . . 11 ASN N . 6522 1 7 . 1 1 6 6 THR H H 1 8.064 . . . . . . . 12 THR H . 6522 1 8 . 1 1 6 6 THR CA C 13 61.20434 . . . . . . . 12 THR CA . 6522 1 9 . 1 1 6 6 THR N N 15 115.726 . . . . . . . 12 THR N . 6522 1 10 . 1 1 7 7 SER H H 1 8.135 . . . . . . . 13 SER H . 6522 1 11 . 1 1 7 7 SER CA C 13 57.95821 . . . . . . . 13 SER CA . 6522 1 12 . 1 1 7 7 SER N N 15 119.074 . . . . . . . 13 SER N . 6522 1 13 . 1 1 8 8 SER H H 1 8.195 . . . . . . . 14 SER H . 6522 1 14 . 1 1 8 8 SER CA C 13 57.85863 . . . . . . . 14 SER CA . 6522 1 15 . 1 1 8 8 SER N N 15 118.953 . . . . . . . 14 SER N . 6522 1 16 . 1 1 9 9 SER H H 1 8.117 . . . . . . . 15 SER H . 6522 1 17 . 1 1 9 9 SER CA C 13 56.04787 . . . . . . . 15 SER CA . 6522 1 18 . 1 1 9 9 SER N N 15 120.146 . . . . . . . 15 SER N . 6522 1 19 . 1 1 10 10 PRO CA C 13 63.13255 . . . . . . . 16 PRO H . 6522 1 20 . 1 1 11 11 GLN H H 1 7.934 . . . . . . . 17 GLN H . 6522 1 21 . 1 1 11 11 GLN CA C 13 52.77706 . . . . . . . 17 GLN CA . 6522 1 22 . 1 1 11 11 GLN N N 15 120.431 . . . . . . . 17 GLN N . 6522 1 23 . 1 1 12 12 PRO CA C 13 62.80736 . . . . . . . 18 PRO H . 6522 1 24 . 1 1 13 13 LYS H H 1 8.27 . . . . . . . 19 LYS H . 6522 1 25 . 1 1 13 13 LYS CA C 13 56.26735 . . . . . . . 19 LYS CA . 6522 1 26 . 1 1 13 13 LYS N N 15 123.212 . . . . . . . 19 LYS N . 6522 1 27 . 1 1 14 14 LYS H H 1 8.181 . . . . . . . 20 LYS H . 6522 1 28 . 1 1 14 14 LYS CA C 13 56 . . . . . . . 20 LYS CA . 6522 1 29 . 1 1 14 14 LYS N N 15 124.416 . . . . . . . 20 LYS N . 6522 1 30 . 1 1 15 15 LYS H H 1 8.281 . . . . . . . 21 LYS H . 6522 1 31 . 1 1 15 15 LYS CA C 13 53.94794 . . . . . . . 21 LYS CA . 6522 1 32 . 1 1 15 15 LYS N N 15 126.174 . . . . . . . 21 LYS N . 6522 1 33 . 1 1 16 16 PRO CA C 13 62.80927 . . . . . . . 22 PRO H . 6522 1 34 . 1 1 17 17 LEU H H 1 8.22 . . . . . . . 23 LEU H . 6522 1 35 . 1 1 17 17 LEU CA C 13 54.79747 . . . . . . . 23 LEU CA . 6522 1 36 . 1 1 17 17 LEU N N 15 123.325 . . . . . . . 23 LEU N . 6522 1 37 . 1 1 18 18 ASP H H 1 8.13 . . . . . . . 24 ASP H . 6522 1 38 . 1 1 18 18 ASP CA C 13 53.85928 . . . . . . . 24 ASP CA . 6522 1 39 . 1 1 18 18 ASP N N 15 122.758 . . . . . . . 24 ASP N . 6522 1 40 . 1 1 19 19 GLY H H 1 8.086 . . . . . . . 25 GLY H . 6522 1 41 . 1 1 19 19 GLY CA C 13 44.61739 . . . . . . . 25 GLY CA . 6522 1 42 . 1 1 19 19 GLY N N 15 110.413 . . . . . . . 25 GLY N . 6522 1 43 . 1 1 20 20 GLU H H 1 7.84 . . . . . . . 26 GLU H . 6522 1 44 . 1 1 20 20 GLU CA C 13 56.67536 . . . . . . . 26 GLU CA . 6522 1 45 . 1 1 20 20 GLU N N 15 122.063 . . . . . . . 26 GLU N . 6522 1 46 . 1 1 21 21 TYR H H 1 7.911 . . . . . . . 27 TYR H . 6522 1 47 . 1 1 21 21 TYR CA C 13 57.03203 . . . . . . . 27 TYR CA . 6522 1 48 . 1 1 21 21 TYR N N 15 121.631 . . . . . . . 27 TYR N . 6522 1 49 . 1 1 22 22 PHE H H 1 9.067 . . . . . . . 28 PHE H . 6522 1 50 . 1 1 22 22 PHE CA C 13 56.24717 . . . . . . . 28 PHE CA . 6522 1 51 . 1 1 22 22 PHE N N 15 122.586 . . . . . . . 28 PHE N . 6522 1 52 . 1 1 23 23 THR H H 1 8.324 . . . . . . . 29 THR H . 6522 1 53 . 1 1 23 23 THR CA C 13 61.1375 . . . . . . . 29 THR CA . 6522 1 54 . 1 1 23 23 THR N N 15 116.38 . . . . . . . 29 THR N . 6522 1 55 . 1 1 24 24 LEU H H 1 8.812 . . . . . . . 30 LEU H . 6522 1 56 . 1 1 24 24 LEU CA C 13 53.01972 . . . . . . . 30 LEU CA . 6522 1 57 . 1 1 24 24 LEU N N 15 128.06 . . . . . . . 30 LEU N . 6522 1 58 . 1 1 25 25 GLN H H 1 8.502 . . . . . . . 31 GLN H . 6522 1 59 . 1 1 25 25 GLN CA C 13 54.6095 . . . . . . . 31 GLN CA . 6522 1 60 . 1 1 25 25 GLN N N 15 125.88 . . . . . . . 31 GLN N . 6522 1 61 . 1 1 26 26 ILE H H 1 9.29 . . . . . . . 32 ILE H . 6522 1 62 . 1 1 26 26 ILE CA C 13 59.0805 . . . . . . . 32 ILE CA . 6522 1 63 . 1 1 26 26 ILE N N 15 127.644 . . . . . . . 32 ILE N . 6522 1 64 . 1 1 27 27 ARG H H 1 9.513 . . . . . . . 33 ARG H . 6522 1 65 . 1 1 27 27 ARG CA C 13 55.81449 . . . . . . . 33 ARG CA . 6522 1 66 . 1 1 27 27 ARG N N 15 130.477 . . . . . . . 33 ARG N . 6522 1 67 . 1 1 28 28 GLY H H 1 8.842 . . . . . . . 34 GLY H . 6522 1 68 . 1 1 28 28 GLY CA C 13 44.61617 . . . . . . . 34 GLY CA . 6522 1 69 . 1 1 28 28 GLY N N 15 118.23 . . . . . . . 34 GLY N . 6522 1 70 . 1 1 29 29 ARG H H 1 8.627 . . . . . . . 35 ARG H . 6522 1 71 . 1 1 29 29 ARG CA C 13 58.61677 . . . . . . . 35 ARG CA . 6522 1 72 . 1 1 29 29 ARG N N 15 125.516 . . . . . . . 35 ARG N . 6522 1 73 . 1 1 30 30 GLU H H 1 8.702 . . . . . . . 36 GLU H . 6522 1 74 . 1 1 30 30 GLU CA C 13 60.10957 . . . . . . . 36 GLU CA . 6522 1 75 . 1 1 30 30 GLU N N 15 120.007 . . . . . . . 36 GLU N . 6522 1 76 . 1 1 31 31 ARG H H 1 8.918 . . . . . . . 37 ARG H . 6522 1 77 . 1 1 31 31 ARG CA C 13 55.90561 . . . . . . . 37 ARG CA . 6522 1 78 . 1 1 31 31 ARG N N 15 118.612 . . . . . . . 37 ARG N . 6522 1 79 . 1 1 32 32 PHE H H 1 8.058 . . . . . . . 38 PHE H . 6522 1 80 . 1 1 32 32 PHE CA C 13 61.6898 . . . . . . . 38 PHE CA . 6522 1 81 . 1 1 32 32 PHE N N 15 122.598 . . . . . . . 38 PHE N . 6522 1 82 . 1 1 33 33 GLU H H 1 8.47 . . . . . . . 39 GLU H . 6522 1 83 . 1 1 33 33 GLU CA C 13 58.7117 . . . . . . . 39 GLU CA . 6522 1 84 . 1 1 33 33 GLU N N 15 118.893 . . . . . . . 39 GLU N . 6522 1 85 . 1 1 34 34 MET H H 1 7.246 . . . . . . . 40 MET H . 6522 1 86 . 1 1 34 34 MET CA C 13 58.66151 . . . . . . . 40 MET CA . 6522 1 87 . 1 1 34 34 MET N N 15 121.086 . . . . . . . 40 MET N . 6522 1 88 . 1 1 35 35 PHE H H 1 7.822 . . . . . . . 41 PHE H . 6522 1 89 . 1 1 35 35 PHE CA C 13 60.47758 . . . . . . . 41 PHE CA . 6522 1 90 . 1 1 35 35 PHE N N 15 118.118 . . . . . . . 41 PHE N . 6522 1 91 . 1 1 36 36 ARG H H 1 8.938 . . . . . . . 42 ARG H . 6522 1 92 . 1 1 36 36 ARG CA C 13 59.54486 . . . . . . . 42 ARG CA . 6522 1 93 . 1 1 36 36 ARG N N 15 122.555 . . . . . . . 42 ARG N . 6522 1 94 . 1 1 37 37 GLU H H 1 7.438 . . . . . . . 43 GLU H . 6522 1 95 . 1 1 37 37 GLU CA C 13 59.17438 . . . . . . . 43 GLU CA . 6522 1 96 . 1 1 37 37 GLU N N 15 121.298 . . . . . . . 43 GLU N . 6522 1 97 . 1 1 38 38 LEU H H 1 7.699 . . . . . . . 44 LEU H . 6522 1 98 . 1 1 38 38 LEU CA C 13 57.68349 . . . . . . . 44 LEU CA . 6522 1 99 . 1 1 38 38 LEU N N 15 118.892 . . . . . . . 44 LEU N . 6522 1 100 . 1 1 39 39 ASN H H 1 8.78 . . . . . . . 45 ASN H . 6522 1 101 . 1 1 39 39 ASN CA C 13 56.933 . . . . . . . 45 ASN CA . 6522 1 102 . 1 1 39 39 ASN N N 15 119.109 . . . . . . . 45 ASN N . 6522 1 103 . 1 1 40 40 GLU H H 1 8.259 . . . . . . . 46 GLU H . 6522 1 104 . 1 1 40 40 GLU CA C 13 58.99051 . . . . . . . 46 GLU CA . 6522 1 105 . 1 1 40 40 GLU N N 15 119.582 . . . . . . . 46 GLU N . 6522 1 106 . 1 1 41 41 ALA H H 1 7.946 . . . . . . . 47 ALA H . 6522 1 107 . 1 1 41 41 ALA CA C 13 54.97206 . . . . . . . 47 ALA CA . 6522 1 108 . 1 1 41 41 ALA N N 15 122.503 . . . . . . . 47 ALA N . 6522 1 109 . 1 1 42 42 LEU H H 1 8.192 . . . . . . . 48 LEU H . 6522 1 110 . 1 1 42 42 LEU CA C 13 57.63275 . . . . . . . 48 LEU CA . 6522 1 111 . 1 1 42 42 LEU N N 15 120.827 . . . . . . . 48 LEU N . 6522 1 112 . 1 1 43 43 GLU H H 1 8.209 . . . . . . . 49 GLU H . 6522 1 113 . 1 1 43 43 GLU CA C 13 59.48402 . . . . . . . 49 GLU CA . 6522 1 114 . 1 1 43 43 GLU N N 15 119.756 . . . . . . . 49 GLU N . 6522 1 115 . 1 1 44 44 LEU CA C 13 57.43578 . . . . . . . 50 LEU H . 6522 1 116 . 1 1 45 45 LYS H H 1 7.986 . . . . . . . 51 LYS H . 6522 1 117 . 1 1 45 45 LYS CA C 13 59.17493 . . . . . . . 51 LYS CA . 6522 1 118 . 1 1 45 45 LYS N N 15 122.187 . . . . . . . 51 LYS N . 6522 1 119 . 1 1 46 46 ASP H H 1 8.309 . . . . . . . 52 ASP H . 6522 1 120 . 1 1 46 46 ASP CA C 13 56.46623 . . . . . . . 52 ASP CA . 6522 1 121 . 1 1 46 46 ASP N N 15 121.246 . . . . . . . 52 ASP N . 6522 1 122 . 1 1 47 47 ALA H H 1 7.749 . . . . . . . 53 ALA H . 6522 1 123 . 1 1 47 47 ALA CA C 13 53.60693 . . . . . . . 53 ALA CA . 6522 1 124 . 1 1 47 47 ALA N N 15 123.27 . . . . . . . 53 ALA N . 6522 1 125 . 1 1 48 48 GLN H H 1 7.725 . . . . . . . 54 GLN H . 6522 1 126 . 1 1 48 48 GLN CA C 13 56.23407 . . . . . . . 54 GLN CA . 6522 1 127 . 1 1 48 48 GLN N N 15 118.02 . . . . . . . 54 GLN N . 6522 1 128 . 1 1 49 49 ALA H H 1 7.69 . . . . . . . 55 ALA H . 6522 1 129 . 1 1 49 49 ALA CA C 13 52.82521 . . . . . . . 55 ALA CA . 6522 1 130 . 1 1 49 49 ALA N N 15 123.99 . . . . . . . 55 ALA N . 6522 1 131 . 1 1 50 50 GLY H H 1 8.061 . . . . . . . 56 GLY H . 6522 1 132 . 1 1 50 50 GLY CA C 13 45.08553 . . . . . . . 56 GLY CA . 6522 1 133 . 1 1 50 50 GLY N N 15 108.675 . . . . . . . 56 GLY N . 6522 1 134 . 1 1 51 51 LYS H H 1 7.772 . . . . . . . 57 LYS H . 6522 1 135 . 1 1 51 51 LYS CA C 13 55.54168 . . . . . . . 57 LYS CA . 6522 1 136 . 1 1 51 51 LYS N N 15 121.654 . . . . . . . 57 LYS N . 6522 1 137 . 1 1 52 52 GLU H H 1 8.325 . . . . . . . 58 GLU H . 6522 1 138 . 1 1 52 52 GLU CA C 13 54.04124 . . . . . . . 58 GLU CA . 6522 1 139 . 1 1 52 52 GLU N N 15 125.135 . . . . . . . 58 GLU N . 6522 1 140 . 1 1 53 53 PRO CA C 13 62.90543 . . . . . . . 59 PRO H . 6522 1 141 . 1 1 54 54 GLY H H 1 8.025 . . . . . . . 60 GLY H . 6522 1 142 . 1 1 54 54 GLY CA C 13 46.0188 . . . . . . . 60 GLY CA . 6522 1 143 . 1 1 54 54 GLY N N 15 118.225 . . . . . . . 60 GLY N . 6522 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 6522 _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 'Chemical shift assignments for p53tet-R337H 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 . . isotropic 6522 2 2 HNCA . . isotropic 6522 2 3 HN(CO)CA . . isotropic 6522 2 4 HNCACB . . isotropic 6522 2 5 CBCA(CO)NH . . isotropic 6522 2 6 1H15N_NOESY . . isotropic 6522 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 . . 6522 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 43.32244 . . . . . . . 6 GLY CA . 6522 2 2 . 1 1 2 2 SER H H 1 8.494 . . . . . . . 7 SER H . 6522 2 3 . 1 1 2 2 SER CA C 13 58.2537 . . . . . . . 7 SER CA . 6522 2 4 . 1 1 2 2 SER N N 15 116.78 . . . . . . . 7 SER N . 6522 2 5 . 1 1 3 3 HIS H H 1 8.56 . . . . . . . 8 HIS H . 6522 2 6 . 1 1 3 3 HIS CA C 13 55.34199 . . . . . . . 8 HIS CA . 6522 2 7 . 1 1 3 3 HIS N N 15 121.816 . . . . . . . 8 HIS N . 6522 2 8 . 1 1 4 4 MET H H 1 8.305 . . . . . . . 9 MET H . 6522 2 9 . 1 1 4 4 MET CA C 13 55.45112 . . . . . . . 9 MET CA . 6522 2 10 . 1 1 4 4 MET N N 15 123.232 . . . . . . . 9 MET N . 6522 2 11 . 1 1 5 5 ASN H H 1 8.481 . . . . . . . 10 ASN H . 6522 2 12 . 1 1 5 5 ASN CA C 13 53.21523 . . . . . . . 10 ASN CA . 6522 2 13 . 1 1 5 5 ASN N N 15 122.078 . . . . . . . 10 ASN N . 6522 2 14 . 1 1 6 6 THR H H 1 8.065 . . . . . . . 12 THR H . 6522 2 15 . 1 1 6 6 THR CA C 13 61.70045 . . . . . . . 12 THR CA . 6522 2 16 . 1 1 6 6 THR N N 15 115.85 . . . . . . . 12 THR N . 6522 2 17 . 1 1 7 7 SER H H 1 8.195 . . . . . . . 13 SER H . 6522 2 18 . 1 1 7 7 SER CA C 13 58.44032 . . . . . . . 13 SER CA . 6522 2 19 . 1 1 7 7 SER N N 15 119.041 . . . . . . . 13 SER N . 6522 2 20 . 1 1 8 8 SER H H 1 8.156 . . . . . . . 14 SER H . 6522 2 21 . 1 1 8 8 SER CA C 13 58.24934 . . . . . . . 14 SER CA . 6522 2 22 . 1 1 8 8 SER N N 15 119.129 . . . . . . . 14 SER N . 6522 2 23 . 1 1 9 9 SER H H 1 8.131 . . . . . . . 15 SER H . 6522 2 24 . 1 1 9 9 SER CA C 13 56.57248 . . . . . . . 15 SER CA . 6522 2 25 . 1 1 9 9 SER N N 15 120.24 . . . . . . . 15 SER N . 6522 2 26 . 1 1 10 10 PRO CA C 13 63.4758 . . . . . . . 16 PRO CA . 6522 2 27 . 1 1 11 11 GLN H H 1 7.934 . . . . . . . 17 GLN H . 6522 2 28 . 1 1 11 11 GLN CA C 13 52.89492 . . . . . . . 17 GLN CA . 6522 2 29 . 1 1 11 11 GLN N N 15 120.543 . . . . . . . 17 GLN N . 6522 2 30 . 1 1 12 12 PRO CA C 13 62.91949 . . . . . . . 18 PRO CA . 6522 2 31 . 1 1 13 13 LYS H H 1 8.273 . . . . . . . 19 LYS H . 6522 2 32 . 1 1 13 13 LYS CA C 13 56.20251 . . . . . . . 19 LYS CA . 6522 2 33 . 1 1 13 13 LYS N N 15 123.285 . . . . . . . 19 LYS N . 6522 2 34 . 1 1 14 14 LYS H H 1 8.169 . . . . . . . 20 LYS H . 6522 2 35 . 1 1 14 14 LYS CA C 13 56.01453 . . . . . . . 20 LYS CA . 6522 2 36 . 1 1 14 14 LYS N N 15 124.404 . . . . . . . 20 LYS N . 6522 2 37 . 1 1 15 15 LYS H H 1 8.273 . . . . . . . 21 LYS H . 6522 2 38 . 1 1 15 15 LYS CA C 13 54.33304 . . . . . . . 21 LYS CA . 6522 2 39 . 1 1 15 15 LYS N N 15 126.183 . . . . . . . 21 LYS N . 6522 2 40 . 1 1 16 16 PRO CA C 13 63.10583 . . . . . . . 22 PRO CA . 6522 2 41 . 1 1 17 17 LEU H H 1 8.207 . . . . . . . 23 LEU H . 6522 2 42 . 1 1 17 17 LEU CA C 13 55.26614 . . . . . . . 23 LEU CA . 6522 2 43 . 1 1 17 17 LEU N N 15 123.499 . . . . . . . 23 LEU N . 6522 2 44 . 1 1 18 18 ASP H H 1 8.176 . . . . . . . 24 ASP H . 6522 2 45 . 1 1 18 18 ASP CA C 13 54.14478 . . . . . . . 24 ASP CA . 6522 2 46 . 1 1 18 18 ASP N N 15 122.243 . . . . . . . 24 ASP N . 6522 2 47 . 1 1 19 19 GLY H H 1 8.091 . . . . . . . 25 GLY H . 6522 2 48 . 1 1 19 19 GLY CA C 13 45.09724 . . . . . . . 25 GLY CA . 6522 2 49 . 1 1 19 19 GLY N N 15 110.445 . . . . . . . 25 GLY N . 6522 2 50 . 1 1 20 20 GLU H H 1 7.791 . . . . . . . 26 GLU H . 6522 2 51 . 1 1 20 20 GLU CA C 13 55.82436 . . . . . . . 26 GLU CA . 6522 2 52 . 1 1 20 20 GLU N N 15 121.368 . . . . . . . 26 GLU N . 6522 2 53 . 1 1 21 21 TYR H H 1 7.87 . . . . . . . 27 TYR H . 6522 2 54 . 1 1 21 21 TYR CA C 13 57.40764 . . . . . . . 27 TYR CA . 6522 2 55 . 1 1 21 21 TYR N N 15 121.173 . . . . . . . 27 TYR N . 6522 2 56 . 1 1 22 22 PHE H H 1 8.997 . . . . . . . 28 PHE H . 6522 2 57 . 1 1 22 22 PHE CA C 13 56.57576 . . . . . . . 28 PHE CA . 6522 2 58 . 1 1 22 22 PHE N N 15 122.563 . . . . . . . 28 PHE N . 6522 2 59 . 1 1 23 23 THR H H 1 8.329 . . . . . . . 29 THR H . 6522 2 60 . 1 1 23 23 THR CA C 13 61.60469 . . . . . . . 29 THR CA . 6522 2 61 . 1 1 23 23 THR N N 15 116.528 . . . . . . . 29 THR N . 6522 2 62 . 1 1 24 24 LEU H H 1 8.792 . . . . . . . 30 LEU H . 6522 2 63 . 1 1 24 24 LEU CA C 13 53.39939 . . . . . . . 30 LEU CA . 6522 2 64 . 1 1 24 24 LEU N N 15 127.918 . . . . . . . 30 LEU N . 6522 2 65 . 1 1 25 25 GLN H H 1 8.482 . . . . . . . 31 GLN H . 6522 2 66 . 1 1 25 25 GLN CA C 13 55.07897 . . . . . . . 31 GLN CA . 6522 2 67 . 1 1 25 25 GLN N N 15 126.063 . . . . . . . 31 GLN N . 6522 2 68 . 1 1 26 26 ILE H H 1 9.262 . . . . . . . 32 ILE H . 6522 2 69 . 1 1 26 26 ILE CA C 13 59.37342 . . . . . . . 32 ILE CA . 6522 2 70 . 1 1 26 26 ILE N N 15 127.659 . . . . . . . 32 ILE N . 6522 2 71 . 1 1 27 27 ARG H H 1 9.192 . . . . . . . 33 ARG H . 6522 2 72 . 1 1 27 27 ARG CA C 13 56.0099 . . . . . . . 33 ARG CA . 6522 2 73 . 1 1 27 27 ARG N N 15 130.085 . . . . . . . 33 ARG N . 6522 2 74 . 1 1 28 28 GLY H H 1 8.826 . . . . . . . 34 GLY H . 6522 2 75 . 1 1 28 28 GLY CA C 13 45.00147 . . . . . . . 34 GLY CA . 6522 2 76 . 1 1 28 28 GLY N N 15 117.952 . . . . . . . 34 GLY N . 6522 2 77 . 1 1 29 29 ARG H H 1 8.632 . . . . . . . 35 ARG H . 6522 2 78 . 1 1 29 29 ARG CA C 13 59.36088 . . . . . . . 35 ARG CA . 6522 2 79 . 1 1 29 29 ARG N N 15 126.461 . . . . . . . 35 ARG N . 6522 2 80 . 1 1 30 30 GLU H H 1 8.598 . . . . . . . 36 GLU H . 6522 2 81 . 1 1 30 30 GLU CA C 13 60.121 . . . . . . . 36 GLU CA . 6522 2 82 . 1 1 30 30 GLU N N 15 120.186 . . . . . . . 36 GLU N . 6522 2 83 . 1 1 31 31 ARG H H 1 8.687 . . . . . . . 37 ARG H . 6522 2 84 . 1 1 31 31 ARG CA C 13 56.56675 . . . . . . . 37 ARG CA . 6522 2 85 . 1 1 31 31 ARG N N 15 118.556 . . . . . . . 37 ARG N . 6522 2 86 . 1 1 32 32 PHE H H 1 8.092 . . . . . . . 38 PHE H . 6522 2 87 . 1 1 32 32 PHE CA C 13 61.79622 . . . . . . . 38 PHE CA . 6522 2 88 . 1 1 32 32 PHE N N 15 122.301 . . . . . . . 38 PHE N . 6522 2 89 . 1 1 33 33 GLU H H 1 8.409 . . . . . . . 39 GLU H . 6522 2 90 . 1 1 33 33 GLU CA C 13 58.99855 . . . . . . . 39 GLU CA . 6522 2 91 . 1 1 33 33 GLU N N 15 118.863 . . . . . . . 39 GLU N . 6522 2 92 . 1 1 34 34 MET H H 1 7.316 . . . . . . . 40 MET H . 6522 2 93 . 1 1 34 34 MET CA C 13 58.99964 . . . . . . . 40 MET CA . 6522 2 94 . 1 1 34 34 MET N N 15 120.733 . . . . . . . 40 MET N . 6522 2 95 . 1 1 35 35 PHE H H 1 7.885 . . . . . . . 41 PHE H . 6522 2 96 . 1 1 35 35 PHE CA C 13 61.05301 . . . . . . . 41 PHE CA . 6522 2 97 . 1 1 35 35 PHE N N 15 118.263 . . . . . . . 41 PHE N . 6522 2 98 . 1 1 36 36 ARG H H 1 8.855 . . . . . . . 42 ARG H . 6522 2 99 . 1 1 36 36 ARG CA C 13 60.02578 . . . . . . . 42 ARG CA . 6522 2 100 . 1 1 36 36 ARG N N 15 122.603 . . . . . . . 42 ARG N . 6522 2 101 . 1 1 37 37 GLU H H 1 7.497 . . . . . . . 43 GLU H . 6522 2 102 . 1 1 37 37 GLU CA C 13 59.36633 . . . . . . . 43 GLU CA . 6522 2 103 . 1 1 37 37 GLU N N 15 120.826 . . . . . . . 43 GLU N . 6522 2 104 . 1 1 38 38 LEU H H 1 7.79 . . . . . . . 44 LEU H . 6522 2 105 . 1 1 38 38 LEU CA C 13 58.0649 . . . . . . . 44 LEU CA . 6522 2 106 . 1 1 38 38 LEU N N 15 119.342 . . . . . . . 44 LEU N . 6522 2 107 . 1 1 39 39 ASN H H 1 8.765 . . . . . . . 45 ASN H . 6522 2 108 . 1 1 39 39 ASN CA C 13 57.31487 . . . . . . . 45 ASN CA . 6522 2 109 . 1 1 39 39 ASN N N 15 119.31 . . . . . . . 45 ASN N . 6522 2 110 . 1 1 40 40 GLU H H 1 8.234 . . . . . . . 46 GLU H . 6522 2 111 . 1 1 40 40 GLU CA C 13 59.09022 . . . . . . . 46 GLU CA . 6522 2 112 . 1 1 40 40 GLU N N 15 119.019 . . . . . . . 46 GLU N . 6522 2 113 . 1 1 41 41 ALA H H 1 7.882 . . . . . . . 47 ALA H . 6522 2 114 . 1 1 41 41 ALA CA C 13 55.35836 . . . . . . . 47 ALA CA . 6522 2 115 . 1 1 41 41 ALA N N 15 122.631 . . . . . . . 47 ALA N . 6522 2 116 . 1 1 42 42 LEU H H 1 8.195 . . . . . . . 48 LEU H . 6522 2 117 . 1 1 42 42 LEU CA C 13 58.44169 . . . . . . . 48 LEU CA . 6522 2 118 . 1 1 42 42 LEU N N 15 120.666 . . . . . . . 48 LEU N . 6522 2 119 . 1 1 43 43 GLU H H 1 8.156 . . . . . . . 49 GLU H . 6522 2 120 . 1 1 43 43 GLU CA C 13 59.55786 . . . . . . . 49 GLU CA . 6522 2 121 . 1 1 43 43 GLU N N 15 119.402 . . . . . . . 49 GLU N . 6522 2 122 . 1 1 44 44 LEU H H 1 7.655 . . . . . . . 50 LEU H . 6522 2 123 . 1 1 44 44 LEU CA C 13 57.87473 . . . . . . . 50 LEU CA . 6522 2 124 . 1 1 44 44 LEU N N 15 122.912 . . . . . . . 50 LEU N . 6522 2 125 . 1 1 45 45 LYS H H 1 7.959 . . . . . . . 51 LYS H . 6522 2 126 . 1 1 45 45 LYS CA C 13 59.3707 . . . . . . . 51 LYS CA . 6522 2 127 . 1 1 45 45 LYS N N 15 122.036 . . . . . . . 51 LYS N . 6522 2 128 . 1 1 46 46 ASP H H 1 8.339 . . . . . . . 52 ASP H . 6522 2 129 . 1 1 46 46 ASP CA C 13 56.57412 . . . . . . . 52 ASP CA . 6522 2 130 . 1 1 46 46 ASP N N 15 120.768 . . . . . . . 52 ASP N . 6522 2 131 . 1 1 47 47 ALA H H 1 7.723 . . . . . . . 53 ALA H . 6522 2 132 . 1 1 47 47 ALA CA C 13 53.95816 . . . . . . . 53 ALA CA . 6522 2 133 . 1 1 47 47 ALA N N 15 123.535 . . . . . . . 53 ALA N . 6522 2 134 . 1 1 48 48 GLN H H 1 7.758 . . . . . . . 54 GLN H . 6522 2 135 . 1 1 48 48 GLN CA C 13 56.75992 . . . . . . . 54 GLN CA . 6522 2 136 . 1 1 48 48 GLN N N 15 118.46 . . . . . . . 54 GLN N . 6522 2 137 . 1 1 49 49 ALA H H 1 7.737 . . . . . . . 55 ALA H . 6522 2 138 . 1 1 49 49 ALA CA C 13 53.21605 . . . . . . . 55 ALA CA . 6522 2 139 . 1 1 49 49 ALA N N 15 123.947 . . . . . . . 55 ALA N . 6522 2 140 . 1 1 50 50 GLY H H 1 8.026 . . . . . . . 56 GLY H . 6522 2 141 . 1 1 50 50 GLY CA C 13 45.5627 . . . . . . . 56 GLY CA . 6522 2 142 . 1 1 50 50 GLY N N 15 108.689 . . . . . . . 56 GLY N . 6522 2 143 . 1 1 51 51 LYS H H 1 7.804 . . . . . . . 57 LYS H . 6522 2 144 . 1 1 51 51 LYS CA C 13 55.82791 . . . . . . . 57 LYS CA . 6522 2 145 . 1 1 51 51 LYS N N 15 121.477 . . . . . . . 57 LYS N . 6522 2 146 . 1 1 52 52 GLU H H 1 8.245 . . . . . . . 58 GLU H . 6522 2 147 . 1 1 52 52 GLU CA C 13 53.96034 . . . . . . . 58 GLU CA . 6522 2 148 . 1 1 52 52 GLU N N 15 124.209 . . . . . . . 58 GLU N . 6522 2 149 . 1 1 53 53 PRO CA C 13 63.28536 . . . . . . . 59 PRO CA . 6522 2 150 . 1 1 54 54 GLY H H 1 8.039 . . . . . . . 60 GLY H . 6522 2 151 . 1 1 54 54 GLY CA C 13 46.12011 . . . . . . . 60 GLY CA . 6522 2 152 . 1 1 54 54 GLY N N 15 116.673 . . . . . . . 60 GLY N . 6522 2 stop_ save_