################################### # 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 26315 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name 'Assigned chemical shift of Paip2A(25-83)' _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 HSQC' 1 $sample_1 isotropic 26315 1 2 '3D 1H-15N NOESY' 1 $sample_1 isotropic 26315 1 3 '3D 1H-15N TOCSY' 1 $sample_1 isotropic 26315 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 . . 26315 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 3 3 LEU H H 1 8.552 0.003 . 1 . . . . . -3 LEU H . 26315 1 2 . 1 . 1 3 3 LEU HA H 1 4.383 0.039 . 1 . . . . . -3 LEU HA . 26315 1 3 . 1 . 1 3 3 LEU N N 15 122.411 0.008 . 1 . . . . . -3 LEU N . 26315 1 4 . 1 . 1 4 4 GLY H H 1 8.442 0.004 . 1 . . . . . -2 GLY H . 26315 1 5 . 1 . 1 4 4 GLY N N 15 110.196 0.009 . 1 . . . . . -2 GLY N . 26315 1 6 . 1 . 1 5 5 SER H H 1 8.158 0.005 . 1 . . . . . -1 SER H . 26315 1 7 . 1 . 1 5 5 SER HA H 1 3.839 0.000 . 1 . . . . . -1 SER HA . 26315 1 8 . 1 . 1 5 5 SER N N 15 115.644 0.007 . 1 . . . . . -1 SER N . 26315 1 9 . 1 . 1 6 6 HIS H H 1 8.636 0.004 . 1 . . . . . 25 HIS H . 26315 1 10 . 1 . 1 6 6 HIS HA H 1 3.185 0.000 . 1 . . . . . 25 HIS HA . 26315 1 11 . 1 . 1 6 6 HIS N N 15 120.55 0.007 . 1 . . . . . 25 HIS N . 26315 1 12 . 1 . 1 7 7 GLU H H 1 8.499 0.003 . 1 . . . . . 26 GLU H . 26315 1 13 . 1 . 1 7 7 GLU HA H 1 4.763 0.000 . 1 . . . . . 26 GLU HA . 26315 1 14 . 1 . 1 7 7 GLU N N 15 122.159 0.008 . 1 . . . . . 26 GLU N . 26315 1 15 . 1 . 1 8 8 ASP H H 1 8.383 0.003 . 1 . . . . . 27 ASP H . 26315 1 16 . 1 . 1 8 8 ASP HA H 1 4.605 0.001 . 1 . . . . . 27 ASP HA . 26315 1 17 . 1 . 1 8 8 ASP N N 15 120.578 0.011 . 1 . . . . . 27 ASP N . 26315 1 18 . 1 . 1 9 9 ASP H H 1 8.17 0.002 . 1 . . . . . 28 ASP H . 26315 1 19 . 1 . 1 9 9 ASP HA H 1 4.572 0.007 . 1 . . . . . 28 ASP HA . 26315 1 20 . 1 . 1 9 9 ASP N N 15 120.275 0.006 . 1 . . . . . 28 ASP N . 26315 1 21 . 1 . 1 10 10 ASN H H 1 8.292 0.003 . 1 . . . . . 29 ASN H . 26315 1 22 . 1 . 1 10 10 ASN HA H 1 4.937 0.011 . 1 . . . . . 29 ASN HA . 26315 1 23 . 1 . 1 10 10 ASN N N 15 119.313 0.006 . 1 . . . . . 29 ASN N . 26315 1 24 . 1 . 1 12 12 PHE H H 1 8.036 0.002 . 1 . . . . . 31 PHE H . 26315 1 25 . 1 . 1 12 12 PHE HA H 1 4.629 0.003 . 1 . . . . . 31 PHE HA . 26315 1 26 . 1 . 1 12 12 PHE N N 15 118.711 0.007 . 1 . . . . . 31 PHE N . 26315 1 27 . 1 . 1 13 13 ALA H H 1 7.739 0.003 . 1 . . . . . 32 ALA H . 26315 1 28 . 1 . 1 13 13 ALA HA H 1 4.192 0.003 . 1 . . . . . 32 ALA HA . 26315 1 29 . 1 . 1 13 13 ALA N N 15 124.63 0.007 . 1 . . . . . 32 ALA N . 26315 1 30 . 1 . 1 14 14 GLU H H 1 8.234 0.002 . 1 . . . . . 33 GLU H . 26315 1 31 . 1 . 1 14 14 GLU HA H 1 4.112 0.002 . 1 . . . . . 33 GLU HA . 26315 1 32 . 1 . 1 14 14 GLU N N 15 119.147 0.005 . 1 . . . . . 33 GLU N . 26315 1 33 . 1 . 1 15 15 TYR H H 1 7.965 0.002 . 1 . . . . . 34 TYR H . 26315 1 34 . 1 . 1 15 15 TYR HA H 1 4.463 0.014 . 1 . . . . . 34 TYR HA . 26315 1 35 . 1 . 1 15 15 TYR N N 15 120.042 0.009 . 1 . . . . . 34 TYR N . 26315 1 36 . 1 . 1 16 16 MET H H 1 7.993 0.002 . 1 . . . . . 35 MET H . 26315 1 37 . 1 . 1 16 16 MET HA H 1 4.333 0.002 . 1 . . . . . 35 MET HA . 26315 1 38 . 1 . 1 16 16 MET N N 15 122.038 0.008 . 1 . . . . . 35 MET N . 26315 1 39 . 1 . 1 17 17 TRP H H 1 7.902 0.002 . 1 . . . . . 36 TRP H . 26315 1 40 . 1 . 1 17 17 TRP HA H 1 4.606 0.001 . 1 . . . . . 36 TRP HA . 26315 1 41 . 1 . 1 17 17 TRP N N 15 121.646 0.034 . 1 . . . . . 36 TRP N . 26315 1 42 . 1 . 1 18 18 MET H H 1 7.906 0.004 . 1 . . . . . 37 MET H . 26315 1 43 . 1 . 1 18 18 MET HA H 1 4.3 0.004 . 1 . . . . . 37 MET HA . 26315 1 44 . 1 . 1 18 18 MET N N 15 121.866 0.027 . 1 . . . . . 37 MET N . 26315 1 45 . 1 . 1 19 19 GLU H H 1 8.182 0.003 . 1 . . . . . 38 GLU H . 26315 1 46 . 1 . 1 19 19 GLU HA H 1 4.102 0.002 . 1 . . . . . 38 GLU HA . 26315 1 47 . 1 . 1 19 19 GLU N N 15 121.281 0.034 . 1 . . . . . 38 GLU N . 26315 1 48 . 1 . 1 20 20 ASN H H 1 8.337 0.003 . 1 . . . . . 39 ASN H . 26315 1 49 . 1 . 1 20 20 ASN HA H 1 4.713 0.013 . 1 . . . . . 39 ASN HA . 26315 1 50 . 1 . 1 20 20 ASN N N 15 118.922 0.010 . 1 . . . . . 39 ASN N . 26315 1 51 . 1 . 1 21 21 GLU H H 1 8.403 0.004 . 1 . . . . . 40 GLU H . 26315 1 52 . 1 . 1 21 21 GLU HA H 1 4.205 0.008 . 1 . . . . . 40 GLU HA . 26315 1 53 . 1 . 1 21 21 GLU N N 15 121.797 0.006 . 1 . . . . . 40 GLU N . 26315 1 54 . 1 . 1 24 24 PHE H H 1 8.076 0.002 . 1 . . . . . 43 PHE H . 26315 1 55 . 1 . 1 24 24 PHE HA H 1 4.54 0.018 . 1 . . . . . 43 PHE HA . 26315 1 56 . 1 . 1 24 24 PHE N N 15 120.522 0.008 . 1 . . . . . 43 PHE N . 26315 1 57 . 1 . 1 25 25 ASN H H 1 8.28 0.002 . 1 . . . . . 44 ASN H . 26315 1 58 . 1 . 1 25 25 ASN HA H 1 4.642 0.006 . 1 . . . . . 44 ASN HA . 26315 1 59 . 1 . 1 25 25 ASN N N 15 119.898 0.022 . 1 . . . . . 44 ASN N . 26315 1 60 . 1 . 1 26 26 ARG H H 1 8.076 0.002 . 1 . . . . . 45 ARG H . 26315 1 61 . 1 . 1 26 26 ARG HA H 1 4.224 0.004 . 1 . . . . . 45 ARG HA . 26315 1 62 . 1 . 1 26 26 ARG N N 15 121.549 0.024 . 1 . . . . . 45 ARG N . 26315 1 63 . 1 . 1 27 27 GLN H H 1 8.34 0.004 . 1 . . . . . 46 GLN H . 26315 1 64 . 1 . 1 27 27 GLN HA H 1 4.259 0.009 . 1 . . . . . 46 GLN HA . 26315 1 65 . 1 . 1 27 27 GLN N N 15 121.642 0.012 . 1 . . . . . 46 GLN N . 26315 1 66 . 1 . 1 28 28 ILE H H 1 8.057 0.005 . 1 . . . . . 47 ILE H . 26315 1 67 . 1 . 1 28 28 ILE HA H 1 4.071 0.020 . 1 . . . . . 47 ILE HA . 26315 1 68 . 1 . 1 28 28 ILE N N 15 121.742 0.010 . 1 . . . . . 47 ILE N . 26315 1 69 . 1 . 1 29 29 GLU H H 1 8.359 0.003 . 1 . . . . . 48 GLU H . 26315 1 70 . 1 . 1 29 29 GLU HA H 1 4.234 0.001 . 1 . . . . . 48 GLU HA . 26315 1 71 . 1 . 1 29 29 GLU N N 15 124.157 0.011 . 1 . . . . . 48 GLU N . 26315 1 72 . 1 . 1 32 32 LEU H H 1 8.114 0.002 . 1 . . . . . 51 LEU H . 26315 1 73 . 1 . 1 32 32 LEU HA H 1 4.305 0.009 . 1 . . . . . 51 LEU HA . 26315 1 74 . 1 . 1 32 32 LEU N N 15 122.738 0.010 . 1 . . . . . 51 LEU N . 26315 1 75 . 1 . 1 33 33 TRP H H 1 8.094 0.002 . 1 . . . . . 52 TRP H . 26315 1 76 . 1 . 1 33 33 TRP HA H 1 4.661 0.017 . 1 . . . . . 52 TRP HA . 26315 1 77 . 1 . 1 33 33 TRP N N 15 122.078 0.011 . 1 . . . . . 52 TRP N . 26315 1 78 . 1 . 1 34 34 GLU H H 1 8.136 0.002 . 1 . . . . . 53 GLU H . 26315 1 79 . 1 . 1 34 34 GLU HA H 1 4.178 0.002 . 1 . . . . . 53 GLU HA . 26315 1 80 . 1 . 1 34 34 GLU N N 15 122.384 0.007 . 1 . . . . . 53 GLU N . 26315 1 81 . 1 . 1 37 37 PHE H H 1 8.22 0.007 . 1 . . . . . 56 PHE H . 26315 1 82 . 1 . 1 37 37 PHE HA H 1 4.514 0.007 . 1 . . . . . 56 PHE HA . 26315 1 83 . 1 . 1 37 37 PHE N N 15 121.479 0.007 . 1 . . . . . 56 PHE N . 26315 1 84 . 1 . 1 38 38 ILE H H 1 7.897 0.004 . 1 . . . . . 57 ILE H . 26315 1 85 . 1 . 1 38 38 ILE HA H 1 3.981 0.006 . 1 . . . . . 57 ILE HA . 26315 1 86 . 1 . 1 38 38 ILE N N 15 123.073 0.008 . 1 . . . . . 57 ILE N . 26315 1 87 . 1 . 1 39 39 GLU H H 1 8.289 0.003 . 1 . . . . . 58 GLU H . 26315 1 88 . 1 . 1 39 39 GLU HA H 1 4.169 0.005 . 1 . . . . . 58 GLU HA . 26315 1 89 . 1 . 1 39 39 GLU N N 15 124.116 0.014 . 1 . . . . . 58 GLU N . 26315 1 90 . 1 . 1 40 40 ARG H H 1 8.261 0.002 . 1 . . . . . 59 ARG H . 26315 1 91 . 1 . 1 40 40 ARG HA H 1 4.246 0.018 . 1 . . . . . 59 ARG HA . 26315 1 92 . 1 . 1 40 40 ARG N N 15 122.384 0.025 . 1 . . . . . 59 ARG N . 26315 1 93 . 1 . 1 41 41 CYS H H 1 8.276 0.003 . 1 . . . . . 60 CYS H . 26315 1 94 . 1 . 1 41 41 CYS HA H 1 4.378 0.005 . 1 . . . . . 60 CYS HA . 26315 1 95 . 1 . 1 41 41 CYS N N 15 119.779 0.020 . 1 . . . . . 60 CYS N . 26315 1 96 . 1 . 1 42 42 PHE H H 1 8.262 0.002 . 1 . . . . . 61 PHE H . 26315 1 97 . 1 . 1 42 42 PHE HA H 1 4.599 0.007 . 1 . . . . . 61 PHE HA . 26315 1 98 . 1 . 1 42 42 PHE N N 15 122.537 0.016 . 1 . . . . . 61 PHE N . 26315 1 99 . 1 . 1 43 43 GLN H H 1 8.183 0.003 . 1 . . . . . 62 GLN H . 26315 1 100 . 1 . 1 43 43 GLN HA H 1 4.221 0.003 . 1 . . . . . 62 GLN HA . 26315 1 101 . 1 . 1 43 43 GLN N N 15 121.567 0.035 . 1 . . . . . 62 GLN N . 26315 1 102 . 1 . 1 45 45 MET H H 1 8.265 0.002 . 1 . . . . . 64 MET H . 26315 1 103 . 1 . 1 45 45 MET HA H 1 4.446 0.012 . 1 . . . . . 64 MET HA . 26315 1 104 . 1 . 1 45 45 MET N N 15 121.235 0.018 . 1 . . . . . 64 MET N . 26315 1 105 . 1 . 1 46 46 LEU H H 1 8.189 0.003 . 1 . . . . . 65 LEU H . 26315 1 106 . 1 . 1 46 46 LEU HA H 1 4.334 0.007 . 1 . . . . . 65 LEU HA . 26315 1 107 . 1 . 1 46 46 LEU N N 15 123.571 0.010 . 1 . . . . . 65 LEU N . 26315 1 108 . 1 . 1 52 52 HIS H H 1 8.354 0.003 . 1 . . . . . 71 HIS H . 26315 1 109 . 1 . 1 52 52 HIS HA H 1 4.619 0.000 . 1 . . . . . 71 HIS HA . 26315 1 110 . 1 . 1 52 52 HIS N N 15 119.594 0.009 . 1 . . . . . 71 HIS N . 26315 1 111 . 1 . 1 53 53 GLU H H 1 8.497 0.003 . 1 . . . . . 72 GLU H . 26315 1 112 . 1 . 1 53 53 GLU HA H 1 4.224 0.012 . 1 . . . . . 72 GLU HA . 26315 1 113 . 1 . 1 53 53 GLU N N 15 122.161 0.009 . 1 . . . . . 72 GLU N . 26315 1 114 . 1 . 1 54 54 TRP H H 1 8.049 0.003 . 1 . . . . . 73 TRP H . 26315 1 115 . 1 . 1 54 54 TRP HA H 1 4.72 0.018 . 1 . . . . . 73 TRP HA . 26315 1 116 . 1 . 1 54 54 TRP N N 15 121.59 0.037 . 1 . . . . . 73 TRP N . 26315 1 117 . 1 . 1 55 55 PHE H H 1 7.913 0.005 . 1 . . . . . 74 PHE H . 26315 1 118 . 1 . 1 55 55 PHE HA H 1 4.559 0.008 . 1 . . . . . 74 PHE HA . 26315 1 119 . 1 . 1 55 55 PHE N N 15 121.926 0.028 . 1 . . . . . 74 PHE N . 26315 1 120 . 1 . 1 56 56 ILE H H 1 7.962 0.004 . 1 . . . . . 75 ILE H . 26315 1 121 . 1 . 1 56 56 ILE HA H 1 4.324 0.006 . 1 . . . . . 75 ILE HA . 26315 1 122 . 1 . 1 56 56 ILE N N 15 125.813 0.007 . 1 . . . . . 75 ILE N . 26315 1 123 . 1 . 1 58 58 ALA H H 1 8.303 0.003 . 1 . . . . . 77 ALA H . 26315 1 124 . 1 . 1 58 58 ALA HA H 1 4.237 0.006 . 1 . . . . . 77 ALA HA . 26315 1 125 . 1 . 1 58 58 ALA N N 15 123.912 0.029 . 1 . . . . . 77 ALA N . 26315 1 126 . 1 . 1 59 59 ARG H H 1 8.223 0.014 . 1 . . . . . 78 ARG H . 26315 1 127 . 1 . 1 59 59 ARG HA H 1 4.306 0.014 . 1 . . . . . 78 ARG HA . 26315 1 128 . 1 . 1 59 59 ARG N N 15 119.71 0.021 . 1 . . . . . 78 ARG N . 26315 1 129 . 1 . 1 60 60 ASP H H 1 8.303 0.002 . 1 . . . . . 79 ASP H . 26315 1 130 . 1 . 1 60 60 ASP HA H 1 4.64 0.005 . 1 . . . . . 79 ASP HA . 26315 1 131 . 1 . 1 60 60 ASP N N 15 120.757 0.004 . 1 . . . . . 79 ASP N . 26315 1 132 . 1 . 1 61 61 LEU H H 1 8.051 0.002 . 1 . . . . . 80 LEU H . 26315 1 133 . 1 . 1 61 61 LEU HA H 1 4.625 0.016 . 1 . . . . . 80 LEU HA . 26315 1 134 . 1 . 1 61 61 LEU N N 15 123.531 0.013 . 1 . . . . . 80 LEU N . 26315 1 135 . 1 . 1 63 63 GLN H H 1 8.538 0.003 . 1 . . . . . 82 GLN H . 26315 1 136 . 1 . 1 63 63 GLN HA H 1 4.407 0.017 . 1 . . . . . 82 GLN HA . 26315 1 137 . 1 . 1 63 63 GLN N N 15 121.508 0.007 . 1 . . . . . 82 GLN N . 26315 1 138 . 1 . 1 64 64 THR H H 1 7.836 0.004 . 1 . . . . . 83 THR H . 26315 1 139 . 1 . 1 64 64 THR HA H 1 4.163 0.000 . 1 . . . . . 83 THR HA . 26315 1 140 . 1 . 1 64 64 THR N N 15 120.927 0.006 . 1 . . . . . 83 THR N . 26315 1 stop_ save_