data_19466 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; PICK1 PDZ with 10 C-terminal ASIC1a residues ; _BMRB_accession_number 19466 _BMRB_flat_file_name bmr19466.str _Entry_type original _Submission_date 2013-08-29 _Accession_date 2013-08-29 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details 'Dual chemical shifts observed when conjugating the 10 C-terminal residues of ASIC1a with PICK1 PDZ' loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Erlendsson Simon . . 2 Teilum Kaare . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 2 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 133 "13C chemical shifts" 335 "15N chemical shifts" 126 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2019-12-06 original BMRB . stop_ loop_ _Related_BMRB_accession_number _Relationship 19467 'PKCalpha C-term' stop_ _Original_release_date 2013-08-29 save_ ############################# # Citation for this entry # ############################# save_PICK1_PDZ_ASIC1a_C-terminal _Saveframe_category entry_citation _Citation_full . _Citation_title ; Protein interacting with C-kinase 1 (PICK1) binding promiscuity relies on unconventional PSD-95/discs-large/ZO-1 homology (PDZ) binding modes for nonclass II PDZ ligand ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 25023278 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Erlendsson Simon . . 2 Rathje Mette . . 3 Heidarsson Petur O. . 4 Poulsen Flemming M. . 5 Madsen Kenneth L. . 6 Teilum Kaare . . 7 Gether Ulrik . . stop_ _Journal_abbreviation 'J. Biol. Chem.' _Journal_name_full 'The Journal of biological chemistry' _Journal_volume 289 _Journal_issue 36 _Journal_ISSN 1083-351X _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 25327 _Page_last 25340 _Year 2014 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'PICK1 PDZ ASIC1a C-term' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'PICK1 PDZ ASIC1a C-terminal' $PICK1_PDZ stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_PICK1_PDZ _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common PICK1_PDZ _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 116 _Mol_residue_sequence ; GSPGIPVPGKVTLQKDAQNL IGISIGGGAQYCPCLYIVQV FDNTPAALDGTVAAGDEITG VNGRSIKGKTKVEVAKMIQE VKGEVTIHYNKLQADPKQLE VLFQGPARGTFEDFTC ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 SER 3 PRO 4 GLY 5 ILE 6 PRO 7 VAL 8 PRO 9 GLY 10 LYS 11 VAL 12 THR 13 LEU 14 GLN 15 LYS 16 ASP 17 ALA 18 GLN 19 ASN 20 LEU 21 ILE 22 GLY 23 ILE 24 SER 25 ILE 26 GLY 27 GLY 28 GLY 29 ALA 30 GLN 31 TYR 32 CYS 33 PRO 34 CYS 35 LEU 36 TYR 37 ILE 38 VAL 39 GLN 40 VAL 41 PHE 42 ASP 43 ASN 44 THR 45 PRO 46 ALA 47 ALA 48 LEU 49 ASP 50 GLY 51 THR 52 VAL 53 ALA 54 ALA 55 GLY 56 ASP 57 GLU 58 ILE 59 THR 60 GLY 61 VAL 62 ASN 63 GLY 64 ARG 65 SER 66 ILE 67 LYS 68 GLY 69 LYS 70 THR 71 LYS 72 VAL 73 GLU 74 VAL 75 ALA 76 LYS 77 MET 78 ILE 79 GLN 80 GLU 81 VAL 82 LYS 83 GLY 84 GLU 85 VAL 86 THR 87 ILE 88 HIS 89 TYR 90 ASN 91 LYS 92 LEU 93 GLN 94 ALA 95 ASP 96 PRO 97 LYS 98 GLN 99 LEU 100 GLU 101 VAL 102 LEU 103 PHE 104 GLN 105 GLY 106 PRO 107 ALA 108 ARG 109 GLY 110 THR 111 PHE 112 GLU 113 ASP 114 PHE 115 THR 116 CYS stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $PICK1_PDZ 'Norway rat' 10116 Eukaryota Metazoa Rattus norvegicus stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_name $PICK1_PDZ 'recombinant technology' . Escherichia coli . 'pGEX 4T2' stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_PICK1-ASIC _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $PICK1_PDZ 900 uM '[U-99% 13C; U-99% 15N]' 'Triton X 100' 0.01 % 'natural abundance' DSS 0.25 mM 'natural abundance' DTT 2 mM 'natural abundance' TRIS 50 mM 'natural abundance' 'sodium chloride' 125 mM 'natural abundance' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_VNMRJ _Saveframe_category software _Name VNMRJ _Version . loop_ _Vendor _Address _Electronic_address Varian . . stop_ loop_ _Task collection stop_ _Details . save_ save_NMRDraw _Saveframe_category software _Name NMRDraw _Version . loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task processing stop_ _Details . save_ save_CCPN_analysis _Saveframe_category software _Name CCPN_analysis _Version . loop_ _Vendor _Address _Electronic_address CCPN . . stop_ loop_ _Task 'chemical shift assignment' 'data analysis' 'peak picking' stop_ _Details . save_ save_qMDD _Saveframe_category software _Name qMDD _Version . loop_ _Vendor _Address _Electronic_address 'Maxim Mayzel, Vladislav Orekhov' 'University of Gothenburg, Sweden' . stop_ loop_ _Task processing stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 800 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 750 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $PICK1-ASIC save_ save_3D_HNCO_NLS_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO_NLS' _Sample_label $PICK1-ASIC save_ save_3D_HNCA_NLS_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA_NLS' _Sample_label $PICK1-ASIC save_ save_3D_CBCA(CO)NH_NLS_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH_NLS' _Sample_label $PICK1-ASIC save_ save_3D_HN(CO)CA_NLS_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA_NLS' _Sample_label $PICK1-ASIC save_ save_3D_HNCACB_NLS_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB_NLS' _Sample_label $PICK1-ASIC save_ save_3D_HCCH-TOCSY_NLS_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY_NLS' _Sample_label $PICK1-ASIC save_ save_3D_H(CCO)NH_NLS_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D H(CCO)NH_NLS' _Sample_label $PICK1-ASIC save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 7.4 . pH pressure ambient . atm temperature 273 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_DSS _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS C 13 'methyl protons' ppm 0.00 na indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 na indirect . . . 0.101329118 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_PICK1_PDZ_ASIC1a_C-terminal_major_state _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '3D HNCO_NLS' '3D HNCA_NLS' '3D CBCA(CO)NH_NLS' '3D HN(CO)CA_NLS' '3D HNCACB_NLS' '3D HCCH-TOCSY_NLS' '3D H(CCO)NH_NLS' stop_ loop_ _Sample_label $PICK1-ASIC stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $DSS _Mol_system_component_name 'PICK1 PDZ ASIC1a C-terminal' _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 3 3 PRO C C 177.340 0.000 1 2 3 3 PRO CA C 63.568 0.007 1 3 3 3 PRO CB C 32.144 0.000 1 4 4 4 GLY H H 8.515 0.002 1 5 4 4 GLY C C 173.458 0.000 1 6 4 4 GLY CA C 45.078 0.029 1 7 4 4 GLY N N 109.045 0.034 1 8 5 5 ILE H H 8.006 0.003 1 9 5 5 ILE HA H 4.480 0.005 1 10 5 5 ILE HB H 1.865 0.008 1 11 5 5 ILE HG12 H 1.471 0.004 2 12 5 5 ILE HG13 H 1.178 0.015 2 13 5 5 ILE HG2 H 0.945 0.003 1 14 5 5 ILE HD1 H 0.850 0.003 1 15 5 5 ILE CA C 58.496 0.082 1 16 5 5 ILE CB C 38.651 0.044 1 17 5 5 ILE CG1 C 27.331 0.062 1 18 5 5 ILE CG2 C 17.031 0.032 1 19 5 5 ILE CD1 C 12.729 0.078 1 20 5 5 ILE N N 121.740 0.035 1 21 6 6 PRO C C 176.476 0.000 1 22 6 6 PRO CA C 62.769 0.022 1 23 6 6 PRO CB C 32.561 0.055 1 24 7 7 VAL H H 8.681 0.004 1 25 7 7 VAL CA C 59.787 0.028 1 26 7 7 VAL CB C 33.619 0.011 1 27 7 7 VAL N N 123.622 0.044 1 28 8 8 PRO C C 177.674 0.000 1 29 8 8 PRO CA C 62.346 0.000 1 30 8 8 PRO CB C 33.100 0.000 1 31 9 9 GLY H H 8.180 0.003 1 32 9 9 GLY C C 171.394 0.000 1 33 9 9 GLY CA C 44.532 0.063 1 34 9 9 GLY N N 108.143 0.058 1 35 10 10 LYS H H 8.177 0.004 1 36 10 10 LYS C C 174.440 0.000 1 37 10 10 LYS CA C 55.205 0.008 1 38 10 10 LYS CB C 35.164 0.041 1 39 10 10 LYS N N 117.156 0.120 1 40 11 11 VAL H H 8.892 0.007 1 41 11 11 VAL C C 171.794 0.000 1 42 11 11 VAL CA C 59.879 0.023 1 43 11 11 VAL CB C 35.321 0.068 1 44 11 11 VAL N N 120.455 0.070 1 45 12 12 THR H H 8.927 0.002 1 46 12 12 THR C C 173.475 0.000 1 47 12 12 THR CA C 62.081 0.013 1 48 12 12 THR CB C 69.490 0.038 1 49 12 12 THR N N 126.187 0.128 1 50 13 13 LEU H H 9.252 0.005 1 51 13 13 LEU C C 175.070 0.000 1 52 13 13 LEU CA C 52.544 0.011 1 53 13 13 LEU CB C 46.170 0.030 1 54 13 13 LEU N N 128.377 0.045 1 55 14 14 GLN H H 8.655 0.002 1 56 14 14 GLN C C 175.527 0.000 1 57 14 14 GLN CA C 54.669 0.018 1 58 14 14 GLN CB C 29.258 0.006 1 59 14 14 GLN N N 121.022 0.059 1 60 15 15 LYS H H 8.041 0.004 1 61 15 15 LYS C C 177.650 0.000 1 62 15 15 LYS CA C 55.689 0.007 1 63 15 15 LYS CB C 34.520 0.000 1 64 15 15 LYS N N 119.458 0.102 1 65 16 16 ASP H H 8.804 0.002 1 66 16 16 ASP C C 178.454 0.000 1 67 16 16 ASP CA C 52.521 0.063 1 68 16 16 ASP CB C 41.207 0.018 1 69 16 16 ASP N N 121.360 0.063 1 70 17 17 ALA H H 8.433 0.006 1 71 17 17 ALA C C 178.680 0.000 1 72 17 17 ALA CA C 54.406 0.045 1 73 17 17 ALA CB C 18.395 0.000 1 74 17 17 ALA N N 119.822 0.100 1 75 18 18 GLN H H 8.366 0.004 1 76 18 18 GLN C C 175.181 0.000 1 77 18 18 GLN CA C 55.285 0.026 1 78 18 18 GLN CB C 28.693 0.016 1 79 18 18 GLN N N 117.537 0.044 1 80 19 19 ASN H H 8.482 0.003 1 81 19 19 ASN C C 174.293 0.000 1 82 19 19 ASN CA C 54.718 0.037 1 83 19 19 ASN CB C 37.523 0.025 1 84 19 19 ASN N N 114.257 0.052 1 85 20 20 LEU H H 8.390 0.008 1 86 20 20 LEU C C 178.033 0.000 1 87 20 20 LEU CA C 54.289 0.002 1 88 20 20 LEU CB C 44.933 0.003 1 89 20 20 LEU N N 119.512 0.059 1 90 21 21 ILE H H 11.223 0.006 1 91 21 21 ILE C C 175.904 0.000 1 92 21 21 ILE CA C 62.626 0.087 1 93 21 21 ILE CB C 40.566 0.000 1 94 21 21 ILE N N 115.045 0.065 1 95 22 22 GLY H H 10.056 0.011 1 96 22 22 GLY C C 173.956 0.000 1 97 22 22 GLY CA C 46.217 0.038 1 98 22 22 GLY N N 112.637 0.097 1 99 23 23 ILE H H 8.073 0.010 1 100 23 23 ILE C C 174.192 0.000 1 101 23 23 ILE CA C 58.626 0.026 1 102 23 23 ILE CB C 42.221 0.012 1 103 23 23 ILE N N 110.975 0.063 1 104 24 24 SER H H 8.232 0.005 1 105 24 24 SER C C 174.539 0.000 1 106 24 24 SER CA C 55.877 0.014 1 107 24 24 SER CB C 65.700 0.021 1 108 24 24 SER N N 114.422 0.062 1 109 25 25 ILE H H 8.850 0.011 1 110 25 25 ILE C C 174.704 0.000 1 111 25 25 ILE CA C 59.959 0.000 1 112 25 25 ILE CB C 40.056 0.061 1 113 25 25 ILE N N 124.469 0.055 1 114 26 26 GLY H H 9.153 0.006 1 115 26 26 GLY C C 172.004 0.000 1 116 26 26 GLY CA C 44.152 0.020 1 117 26 26 GLY N N 112.264 0.036 1 118 27 27 GLY H H 8.498 0.004 1 119 27 27 GLY C C 174.532 0.000 1 120 27 27 GLY CA C 44.439 0.061 1 121 27 27 GLY N N 106.101 0.039 1 122 28 28 GLY H H 8.459 0.014 1 123 28 28 GLY C C 173.898 0.000 1 124 28 28 GLY CA C 46.216 0.040 1 125 28 28 GLY N N 110.274 0.111 1 126 29 29 ALA H H 8.088 0.007 1 127 29 29 ALA CA C 51.538 0.024 1 128 29 29 ALA CB C 20.838 0.004 1 129 29 29 ALA N N 123.626 0.063 1 130 31 31 TYR C C 175.340 0.000 1 131 31 31 TYR CA C 58.065 0.000 1 132 31 31 TYR CB C 37.216 0.000 1 133 32 32 CYS H H 7.632 0.004 1 134 32 32 CYS CA C 56.802 0.000 1 135 32 32 CYS CB C 28.078 0.000 1 136 32 32 CYS N N 120.142 0.148 1 137 35 35 LEU C C 175.538 0.000 1 138 35 35 LEU CA C 53.255 0.000 1 139 35 35 LEU CB C 44.249 0.000 1 140 36 36 TYR H H 8.554 0.005 1 141 36 36 TYR C C 175.301 0.000 1 142 36 36 TYR CA C 59.232 0.000 1 143 36 36 TYR CB C 42.536 0.000 1 144 36 36 TYR N N 117.189 0.110 1 145 37 37 ILE H H 8.938 0.004 1 146 37 37 ILE C C 176.108 0.000 1 147 37 37 ILE CA C 61.814 0.007 1 148 37 37 ILE CB C 37.639 0.000 1 149 37 37 ILE N N 120.510 0.093 1 150 38 38 VAL H H 8.990 0.002 1 151 38 38 VAL C C 175.035 0.000 1 152 38 38 VAL CA C 63.020 0.019 1 153 38 38 VAL CB C 32.336 0.000 1 154 38 38 VAL N N 127.234 0.045 1 155 39 39 GLN H H 7.196 0.003 1 156 39 39 GLN C C 172.438 0.000 1 157 39 39 GLN CA C 55.314 0.028 1 158 39 39 GLN CB C 32.153 0.025 1 159 39 39 GLN N N 116.441 0.055 1 160 40 40 VAL H H 8.417 0.002 1 161 40 40 VAL C C 176.602 0.000 1 162 40 40 VAL CA C 61.050 0.021 1 163 40 40 VAL CB C 32.875 0.000 1 164 40 40 VAL N N 123.293 0.038 1 165 41 41 PHE H H 8.703 0.003 1 166 41 41 PHE C C 175.543 0.000 1 167 41 41 PHE CA C 58.572 0.058 1 168 41 41 PHE CB C 39.475 0.036 1 169 41 41 PHE N N 128.490 0.038 1 170 42 42 ASP H H 8.989 0.003 1 171 42 42 ASP C C 176.926 0.000 1 172 42 42 ASP CA C 55.387 0.016 1 173 42 42 ASP CB C 41.120 0.013 1 174 42 42 ASP N N 122.660 0.033 1 175 43 43 ASN H H 9.326 0.003 1 176 43 43 ASN C C 173.768 0.000 1 177 43 43 ASN CA C 54.898 0.016 1 178 43 43 ASN CB C 37.181 0.017 1 179 43 43 ASN N N 113.876 0.056 1 180 44 44 THR H H 7.165 0.003 1 181 44 44 THR CA C 59.824 0.001 1 182 44 44 THR CB C 69.222 0.024 1 183 44 44 THR N N 107.965 0.037 1 184 45 45 PRO C C 180.139 0.000 1 185 45 45 PRO CA C 66.197 0.096 1 186 45 45 PRO CB C 33.256 0.000 1 187 46 46 ALA H H 9.337 0.004 1 188 46 46 ALA C C 180.698 0.000 1 189 46 46 ALA CA C 55.146 0.016 1 190 46 46 ALA CB C 18.660 0.079 1 191 46 46 ALA N N 117.131 0.075 1 192 47 47 ALA H H 7.619 0.003 1 193 47 47 ALA C C 179.864 0.000 1 194 47 47 ALA CA C 54.986 0.035 1 195 47 47 ALA CB C 19.652 0.022 1 196 47 47 ALA N N 123.464 0.031 1 197 48 48 LEU H H 8.670 0.002 1 198 48 48 LEU C C 179.236 0.000 1 199 48 48 LEU CA C 57.292 0.021 1 200 48 48 LEU CB C 41.480 0.043 1 201 48 48 LEU N N 118.500 0.049 1 202 49 49 ASP H H 7.755 0.002 1 203 49 49 ASP CA C 57.057 0.013 1 204 49 49 ASP CB C 44.580 0.015 1 205 49 49 ASP N N 117.449 0.029 1 206 50 50 GLY H H 7.258 0.005 1 207 50 50 GLY C C 174.618 0.000 1 208 50 50 GLY CA C 46.422 0.016 1 209 50 50 GLY N N 103.132 0.038 1 210 51 51 THR H H 8.347 0.006 1 211 51 51 THR C C 175.824 0.000 1 212 51 51 THR CA C 66.737 0.024 1 213 51 51 THR CB C 68.131 0.000 1 214 51 51 THR N N 117.803 0.029 1 215 52 52 VAL H H 8.183 0.003 1 216 52 52 VAL C C 173.626 0.000 1 217 52 52 VAL CA C 60.591 0.050 1 218 52 52 VAL CB C 33.226 0.025 1 219 52 52 VAL N N 113.983 0.034 1 220 53 53 ALA H H 8.661 0.005 1 221 53 53 ALA C C 175.300 0.000 1 222 53 53 ALA CA C 50.202 0.010 1 223 53 53 ALA CB C 23.282 0.001 1 224 53 53 ALA N N 123.753 0.038 1 225 54 54 ALA H H 8.453 0.004 1 226 54 54 ALA C C 178.455 0.000 1 227 54 54 ALA CA C 52.992 0.050 1 228 54 54 ALA CB C 17.992 0.059 1 229 54 54 ALA N N 120.739 0.028 1 230 55 55 GLY H H 9.649 0.006 1 231 55 55 GLY C C 173.709 0.000 1 232 55 55 GLY CA C 44.751 0.031 1 233 55 55 GLY N N 112.712 0.035 1 234 56 56 ASP H H 8.097 0.002 1 235 56 56 ASP C C 172.451 0.000 1 236 56 56 ASP CA C 55.614 0.056 1 237 56 56 ASP CB C 40.605 0.011 1 238 56 56 ASP N N 121.493 0.038 1 239 57 57 GLU H H 8.528 0.006 1 240 57 57 GLU C C 177.111 0.000 1 241 57 57 GLU CA C 54.759 0.024 1 242 57 57 GLU CB C 32.754 0.023 1 243 57 57 GLU N N 122.991 0.040 1 244 58 58 ILE H H 8.559 0.006 1 245 58 58 ILE C C 174.925 0.000 1 246 58 58 ILE CA C 60.091 0.006 1 247 58 58 ILE CB C 39.578 0.000 1 248 58 58 ILE N N 125.586 0.085 1 249 59 59 THR H H 9.187 0.006 1 250 59 59 THR C C 176.424 0.000 1 251 59 59 THR CA C 61.147 0.014 1 252 59 59 THR CB C 69.602 0.000 1 253 59 59 THR N N 115.333 0.068 1 254 60 60 GLY H H 7.849 0.003 1 255 60 60 GLY C C 170.922 0.000 1 256 60 60 GLY CA C 46.539 0.020 1 257 60 60 GLY N N 111.382 0.038 1 258 61 61 VAL H H 8.331 0.006 1 259 61 61 VAL CA C 60.964 0.029 1 260 61 61 VAL CB C 36.488 0.000 1 261 61 61 VAL N N 119.213 0.044 1 262 62 62 ASN H H 10.407 0.006 1 263 62 62 ASN CA C 54.421 0.000 1 264 62 62 ASN CB C 36.704 0.000 1 265 62 62 ASN N N 127.892 0.038 1 266 63 63 GLY H H 8.892 0.007 1 267 63 63 GLY C C 173.585 0.000 1 268 63 63 GLY CA C 45.284 0.000 1 269 63 63 GLY N N 104.647 0.033 1 270 64 64 ARG H H 7.781 0.005 1 271 64 64 ARG CA C 54.237 0.000 1 272 64 64 ARG CB C 31.568 0.042 1 273 64 64 ARG N N 120.524 0.051 1 274 65 65 SER C C 176.850 0.000 1 275 65 65 SER CA C 58.136 0.000 1 276 65 65 SER CB C 63.687 0.000 1 277 66 66 ILE H H 7.630 0.005 1 278 66 66 ILE C C 174.830 0.000 1 279 66 66 ILE CA C 59.235 0.018 1 280 66 66 ILE CB C 36.743 0.000 1 281 66 66 ILE N N 116.758 0.050 1 282 67 67 LYS H H 7.848 0.003 1 283 67 67 LYS CA C 58.467 0.014 1 284 67 67 LYS CB C 31.818 0.009 1 285 67 67 LYS N N 122.397 0.056 1 286 68 68 GLY H H 8.974 0.005 1 287 68 68 GLY C C 174.476 0.000 1 288 68 68 GLY CA C 45.384 0.003 1 289 68 68 GLY N N 114.932 0.027 1 290 69 69 LYS H H 7.878 0.002 1 291 69 69 LYS C C 176.813 0.000 1 292 69 69 LYS CA C 54.716 0.037 1 293 69 69 LYS CB C 34.225 0.023 1 294 69 69 LYS N N 119.760 0.028 1 295 70 70 THR H H 9.111 0.004 1 296 70 70 THR C C 175.881 0.000 1 297 70 70 THR CA C 60.385 0.021 1 298 70 70 THR CB C 71.759 0.024 1 299 70 70 THR N N 111.422 0.043 1 300 71 71 LYS H H 8.951 0.005 1 301 71 71 LYS C C 177.073 0.000 1 302 71 71 LYS CA C 59.827 0.040 1 303 71 71 LYS CB C 31.541 0.000 1 304 71 71 LYS N N 118.625 0.095 1 305 72 72 VAL H H 7.198 0.003 1 306 72 72 VAL C C 177.977 0.000 1 307 72 72 VAL CA C 65.232 0.034 1 308 72 72 VAL CB C 31.978 0.025 1 309 72 72 VAL N N 117.481 0.055 1 310 73 73 GLU H H 7.514 0.005 1 311 73 73 GLU C C 180.168 0.000 1 312 73 73 GLU CA C 59.194 0.019 1 313 73 73 GLU CB C 30.467 0.000 1 314 73 73 GLU N N 120.192 0.028 1 315 74 74 VAL H H 8.410 0.013 1 316 74 74 VAL C C 176.747 0.000 1 317 74 74 VAL CA C 66.976 0.019 1 318 74 74 VAL CB C 31.440 0.000 1 319 74 74 VAL N N 120.778 0.202 1 320 75 75 ALA H H 8.113 0.004 1 321 75 75 ALA C C 179.924 0.000 1 322 75 75 ALA CA C 55.887 0.018 1 323 75 75 ALA CB C 17.407 0.091 1 324 75 75 ALA N N 122.363 0.047 1 325 76 76 LYS H H 7.989 0.003 1 326 76 76 LYS C C 178.285 0.000 1 327 76 76 LYS CA C 59.272 0.023 1 328 76 76 LYS CB C 32.103 0.072 1 329 76 76 LYS N N 117.131 0.107 1 330 77 77 MET H H 8.022 0.002 1 331 77 77 MET C C 178.944 0.000 1 332 77 77 MET CA C 59.109 0.027 1 333 77 77 MET CB C 33.737 0.021 1 334 77 77 MET N N 118.781 0.035 1 335 78 78 ILE H H 7.988 0.003 1 336 78 78 ILE C C 178.849 0.000 1 337 78 78 ILE CA C 65.915 0.050 1 338 78 78 ILE CB C 37.939 0.000 1 339 78 78 ILE N N 118.212 0.053 1 340 79 79 GLN H H 8.633 0.005 1 341 79 79 GLN C C 178.400 0.000 1 342 79 79 GLN CA C 59.019 0.010 1 343 79 79 GLN CB C 28.760 0.055 1 344 79 79 GLN N N 121.315 0.035 1 345 80 80 GLU H H 8.005 0.004 1 346 80 80 GLU C C 176.947 0.000 1 347 80 80 GLU CA C 57.855 0.018 1 348 80 80 GLU CB C 29.994 0.015 1 349 80 80 GLU N N 115.388 0.070 1 350 81 81 VAL H H 7.214 0.002 1 351 81 81 VAL C C 175.743 0.000 1 352 81 81 VAL CA C 63.212 0.023 1 353 81 81 VAL CB C 31.937 0.059 1 354 81 81 VAL N N 120.040 0.042 1 355 82 82 LYS H H 8.688 0.005 1 356 82 82 LYS C C 177.870 0.000 1 357 82 82 LYS CA C 55.380 0.006 1 358 82 82 LYS CB C 32.687 0.066 1 359 82 82 LYS N N 127.581 0.042 1 360 83 83 GLY H H 8.850 0.002 1 361 83 83 GLY C C 173.649 0.000 1 362 83 83 GLY CA C 46.949 0.065 1 363 83 83 GLY N N 112.157 0.030 1 364 84 84 GLU H H 8.347 0.013 1 365 84 84 GLU C C 173.803 0.000 1 366 84 84 GLU CA C 55.319 0.045 1 367 84 84 GLU CB C 31.710 0.035 1 368 84 84 GLU N N 121.757 0.052 1 369 85 85 VAL H H 9.056 0.005 1 370 85 85 VAL C C 172.421 0.000 1 371 85 85 VAL CA C 59.937 0.013 1 372 85 85 VAL CB C 35.461 0.000 1 373 85 85 VAL N N 119.551 0.089 1 374 86 86 THR H H 9.311 0.006 1 375 86 86 THR C C 173.796 0.000 1 376 86 86 THR CA C 61.724 0.046 1 377 86 86 THR CB C 69.402 0.000 1 378 86 86 THR N N 125.184 0.050 1 379 87 87 ILE H H 9.327 0.006 1 380 87 87 ILE C C 174.591 0.000 1 381 87 87 ILE CA C 58.445 0.082 1 382 87 87 ILE CB C 38.662 0.000 1 383 87 87 ILE N N 128.273 0.111 1 384 88 88 HIS H H 8.623 0.005 1 385 88 88 HIS C C 174.667 0.000 1 386 88 88 HIS CA C 54.561 0.000 1 387 88 88 HIS N N 128.057 0.050 1 388 89 89 TYR H H 8.380 0.010 1 389 89 89 TYR C C 174.010 0.000 1 390 89 89 TYR CA C 55.621 0.035 1 391 89 89 TYR CB C 42.317 0.002 1 392 89 89 TYR N N 121.158 0.184 1 393 90 90 ASN H H 9.157 0.007 1 394 90 90 ASN C C 175.431 0.000 1 395 90 90 ASN CA C 52.034 0.044 1 396 90 90 ASN CB C 42.077 0.000 1 397 90 90 ASN N N 116.375 0.068 1 398 91 91 LYS H H 8.995 0.007 1 399 91 91 LYS C C 176.847 0.000 1 400 91 91 LYS CA C 54.898 0.045 1 401 91 91 LYS CB C 32.608 0.000 1 402 91 91 LYS N N 123.449 0.067 1 403 92 92 LEU H H 9.148 0.005 1 404 92 92 LEU CA C 54.925 0.067 1 405 92 92 LEU CB C 42.774 0.000 1 406 92 92 LEU N N 126.378 0.049 1 407 93 93 GLN H H 8.508 0.006 1 408 93 93 GLN C C 175.303 0.000 1 409 93 93 GLN CA C 55.529 0.033 1 410 93 93 GLN CB C 29.272 0.040 1 411 93 93 GLN N N 121.995 0.068 1 412 94 94 ALA H H 8.315 0.004 1 413 94 94 ALA C C 176.528 0.000 1 414 94 94 ALA CA C 51.893 0.017 1 415 94 94 ALA CB C 19.939 0.020 1 416 94 94 ALA N N 125.012 0.065 1 417 95 95 ASP H H 8.450 0.004 1 418 95 95 ASP CB C 41.674 0.010 1 419 95 95 ASP N N 121.877 0.059 1 420 96 96 PRO C C 178.438 0.000 1 421 96 96 PRO CA C 64.869 0.000 1 422 96 96 PRO CB C 32.236 0.000 1 423 97 97 LYS H H 8.387 0.003 1 424 97 97 LYS C C 178.271 0.000 1 425 97 97 LYS CA C 57.777 0.019 1 426 97 97 LYS CB C 31.813 0.037 1 427 97 97 LYS N N 118.159 0.101 1 428 98 98 GLN H H 7.922 0.002 1 429 98 98 GLN C C 177.298 0.000 1 430 98 98 GLN CA C 57.012 0.000 1 431 98 98 GLN CB C 28.806 0.067 1 432 98 98 GLN N N 119.000 0.044 1 433 99 99 LEU H H 7.919 0.004 1 434 99 99 LEU C C 177.861 0.000 1 435 99 99 LEU CA C 56.475 0.016 1 436 99 99 LEU CB C 41.755 0.000 1 437 99 99 LEU N N 120.221 0.052 1 438 100 100 GLU H H 7.942 0.005 1 439 100 100 GLU C C 177.705 0.000 1 440 100 100 GLU CA C 58.268 0.040 1 441 100 100 GLU CB C 29.833 0.084 1 442 100 100 GLU N N 119.154 0.064 1 443 101 101 VAL H H 7.636 0.009 1 444 101 101 VAL C C 177.161 0.000 1 445 101 101 VAL CA C 63.786 0.026 1 446 101 101 VAL CB C 32.213 0.000 1 447 101 101 VAL N N 118.032 0.079 1 448 102 102 LEU H H 7.869 0.007 1 449 102 102 LEU C C 177.712 0.000 1 450 102 102 LEU CA C 56.054 0.035 1 451 102 102 LEU CB C 42.278 0.106 1 452 102 102 LEU N N 121.859 0.091 1 453 103 103 PHE H H 7.979 0.008 1 454 103 103 PHE C C 175.735 0.000 1 455 103 103 PHE CA C 57.440 0.033 1 456 103 103 PHE CB C 39.189 0.042 1 457 103 103 PHE N N 117.760 0.085 1 458 104 104 GLN H H 8.001 0.006 1 459 104 104 GLN C C 175.894 0.000 1 460 104 104 GLN CA C 55.676 0.020 1 461 104 104 GLN CB C 29.543 0.025 1 462 104 104 GLN N N 120.287 0.057 1 463 105 105 GLY H H 8.015 0.007 1 464 105 105 GLY CA C 45.000 0.053 1 465 105 105 GLY N N 109.514 0.146 1 466 107 107 ALA C C 177.913 0.000 1 467 107 107 ALA CA C 52.660 0.000 1 468 107 107 ALA CB C 18.957 0.000 1 469 108 108 ARG H H 8.329 0.008 1 470 108 108 ARG CA C 56.476 0.000 1 471 108 108 ARG N N 120.159 0.093 1 472 109 109 GLY C C 174.234 0.000 1 473 109 109 GLY CA C 45.242 0.000 1 474 110 110 THR H H 8.074 0.004 1 475 110 110 THR N N 113.144 0.087 1 476 112 112 GLU CA C 56.690 0.000 1 477 112 112 GLU CB C 30.442 0.000 1 478 113 113 ASP H H 8.181 0.004 1 479 113 113 ASP CA C 54.365 0.067 1 480 113 113 ASP CB C 41.429 0.163 1 481 113 113 ASP N N 120.593 0.070 1 482 114 114 PHE H H 8.580 0.003 1 483 114 114 PHE C C 174.527 0.000 1 484 114 114 PHE CA C 56.945 0.000 1 485 114 114 PHE N N 120.980 0.125 1 486 115 115 THR H H 8.009 0.006 1 487 115 115 THR C C 173.584 0.000 1 488 115 115 THR CA C 61.482 0.076 1 489 115 115 THR CB C 70.551 0.105 1 490 115 115 THR N N 116.275 0.090 1 491 116 116 CYS H H 9.262 0.006 1 492 116 116 CYS HG H 3.060 0.000 1 493 116 116 CYS CA C 58.871 0.014 1 494 116 116 CYS CB C 30.261 0.046 1 495 116 116 CYS N N 123.415 0.099 1 stop_ save_ save_PICK1_PDZ_ASIC1a_C-terminal_minor_state _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '3D HNCO_NLS' '3D HNCA_NLS' '3D CBCA(CO)NH_NLS' '3D HN(CO)CA_NLS' '3D HNCACB_NLS' '3D HCCH-TOCSY_NLS' '3D H(CCO)NH_NLS' stop_ loop_ _Sample_label $PICK1-ASIC stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $DSS _Mol_system_component_name 'PICK1 PDZ ASIC1a C-terminal' _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 19 19 ASN H H 8.473 0.015 1 2 19 19 ASN CA C 51.182 0.000 1 3 19 19 ASN N N 114.242 0.021 1 4 20 20 LEU C C 176.015 0.000 1 5 20 20 LEU CA C 54.347 0.000 1 6 20 20 LEU CB C 40.984 0.000 1 7 21 21 ILE H H 8.175 0.007 1 8 21 21 ILE CA C 58.589 0.000 1 9 21 21 ILE N N 121.713 0.077 1 10 22 22 GLY H H 10.046 0.005 1 11 22 22 GLY CA C 45.062 0.000 1 12 22 22 GLY N N 112.679 0.030 1 13 23 23 ILE H H 8.075 0.001 1 14 23 23 ILE C C 174.388 0.196 1 15 23 23 ILE N N 112.560 3.190 1 16 24 24 SER C C 175.021 0.000 1 17 25 25 ILE H H 8.819 0.000 1 18 25 25 ILE N N 123.963 0.006 1 19 26 26 GLY CA C 172.196 0.000 1 20 27 27 GLY H H 8.534 0.001 1 21 27 27 GLY N N 106.213 0.041 1 22 28 28 GLY H H 8.501 0.000 1 23 28 28 GLY N N 109.876 0.000 1 24 36 36 TYR H H 8.516 0.003 1 25 36 36 TYR CA C 54.217 0.000 1 26 36 36 TYR N N 117.352 0.060 1 27 38 38 VAL H H 8.938 0.000 1 28 38 38 VAL CA C 62.965 0.000 1 29 38 38 VAL N N 127.258 0.000 1 30 39 39 GLN H H 7.228 0.001 1 31 39 39 GLN CA C 55.441 0.000 1 32 39 39 GLN N N 116.865 0.049 1 33 42 42 ASP CB C 41.947 0.000 1 34 43 43 ASN H H 9.250 0.009 1 35 43 43 ASN N N 114.119 0.169 1 36 46 46 ALA H H 9.302 0.002 1 37 46 46 ALA CA C 56.524 0.000 1 38 46 46 ALA N N 117.257 0.073 1 39 52 52 VAL H H 8.156 0.000 1 40 52 52 VAL N N 114.042 0.000 1 41 57 57 GLU C C 176.155 0.000 1 42 58 58 ILE H H 8.507 0.005 1 43 58 58 ILE CA C 59.641 0.000 1 44 58 58 ILE N N 125.479 0.088 1 45 59 59 THR H H 9.151 0.001 1 46 59 59 THR N N 115.550 0.184 1 47 70 70 THR H H 9.053 0.004 1 48 70 70 THR CA C 59.744 0.000 1 49 70 70 THR N N 111.322 0.116 1 50 71 71 LYS C C 176.178 0.000 1 51 71 71 LYS CA C 56.706 0.000 1 52 71 71 LYS CB C 32.854 0.000 1 53 72 72 VAL H H 8.264 0.004 1 54 72 72 VAL CA C 61.170 0.000 1 55 72 72 VAL N N 122.645 0.025 1 56 75 75 ALA H H 8.149 0.004 1 57 75 75 ALA CA C 55.936 0.000 1 58 75 75 ALA N N 122.632 0.006 1 59 76 76 LYS CB C 32.031 0.000 1 60 77 77 MET H H 8.030 0.006 1 61 77 77 MET CA C 55.717 0.000 1 62 77 77 MET N N 118.684 0.101 1 63 80 80 GLU H H 7.998 0.014 1 64 80 80 GLU CA C 57.890 0.000 1 65 80 80 GLU N N 115.378 0.085 1 66 89 89 TYR CA C 52.157 0.000 1 67 90 90 ASN H H 9.107 0.002 1 68 90 90 ASN CA C 52.085 0.064 1 69 90 90 ASN N N 116.451 0.032 1 70 93 93 GLN C C 175.408 0.000 1 71 94 94 ALA H H 8.249 0.002 1 72 94 94 ALA N N 125.318 0.003 1 73 96 96 PRO C C 176.034 0.000 1 74 96 96 PRO CA C 63.401 0.000 1 75 97 97 LYS H H 8.099 0.006 1 76 97 97 LYS CA C 57.367 0.000 1 77 97 97 LYS N N 127.020 0.039 1 78 100 100 GLU C C 177.702 0.000 1 79 100 100 GLU CA C 56.497 0.000 1 80 101 101 VAL H H 7.570 0.005 1 81 101 101 VAL CA C 64.051 0.000 1 82 101 101 VAL N N 118.169 0.157 1 83 112 112 GLU CA C 56.788 0.000 1 84 113 113 ASP H H 8.142 0.003 1 85 113 113 ASP C C 175.513 0.000 1 86 113 113 ASP CA C 56.071 0.000 1 87 113 113 ASP CB C 41.228 0.000 1 88 113 113 ASP N N 120.252 0.048 1 89 114 114 PHE H H 8.239 0.004 1 90 114 114 PHE CA C 57.663 0.054 1 91 114 114 PHE CB C 39.739 0.000 1 92 114 114 PHE N N 120.940 0.164 1 93 115 115 THR H H 8.261 0.001 1 94 115 115 THR CA C 61.968 0.000 1 95 115 115 THR CB C 70.051 0.000 1 96 115 115 THR N N 116.226 0.101 1 97 116 116 CYS H H 8.007 0.003 1 98 116 116 CYS CA C 59.439 0.000 1 99 116 116 CYS N N 125.329 0.020 1 stop_ save_