data_25569 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; PIN1 WW domain in complex with a phosphorylated CPEB1 derived peptide ; _BMRB_accession_number 25569 _BMRB_flat_file_name bmr25569.str _Entry_type original _Submission_date 2015-04-13 _Accession_date 2015-04-13 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details . loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Schelhorn Constanze . . 2 Macias 'Maria J.' . . 3 Martin-Malpartida Pau . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 2 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 211 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2015-10-26 original BMRB . stop_ _Original_release_date 2015-10-26 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Structural Analysis of the Pin1-CPEB1 interaction and its potential role in CPEB1 degradation ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 26456073 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Schelhorn Constanze . . 2 Martin-Malpartida Pau . . 3 Sunol David . . 4 Macias 'Maria J.' . . stop_ _Journal_abbreviation 'Sci. Rep.' _Journal_volume 5 _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 14990 _Page_last 14990 _Year 2015 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'PIN1 WW domain in complex with a phosphorylated CPEB1 derived peptide' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label Pin1 $Pin1 CPEB1 $CPEB1 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_Pin1 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common Pin1 _Molecular_mass 3901.367 _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 33 _Mol_residue_sequence ; LPPGWEKRMSRSSGRVYYFN HITNASQWERPSG ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 7 LEU 2 8 PRO 3 9 PRO 4 10 GLY 5 11 TRP 6 12 GLU 7 13 LYS 8 14 ARG 9 15 MET 10 16 SER 11 17 ARG 12 18 SER 13 19 SER 14 20 GLY 15 21 ARG 16 22 VAL 17 23 TYR 18 24 TYR 19 25 PHE 20 26 ASN 21 27 HIS 22 28 ILE 23 29 THR 24 30 ASN 25 31 ALA 26 32 SER 27 33 GLN 28 34 TRP 29 35 GLU 30 36 ARG 31 37 PRO 32 38 SER 33 39 GLY stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-11-11 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value BMRB 16070 Pin1_WW 100.00 36 100.00 100.00 5.85e-15 BMRB 16088 Pin1_WW 100.00 36 100.00 100.00 5.85e-15 BMRB 17545 "first domain of human PIN1" 100.00 36 100.00 100.00 5.79e-15 BMRB 19258 entity 100.00 43 100.00 100.00 3.52e-15 BMRB 19259 Pin1 100.00 43 96.97 96.97 1.19e-14 PDB 1F8A "Structural Basis For The Phosphoserine-proline Recognition By Group Iv Ww Domains" 100.00 167 100.00 100.00 5.22e-15 PDB 1I6C "Solution Structure Of Pin1 Ww Domain" 100.00 39 100.00 100.00 4.87e-15 PDB 1I8G "Solution Structure Of Pin1 Ww Domain Complexed With Cdc25 Phosphothreonine Peptide" 100.00 39 100.00 100.00 4.87e-15 PDB 1I8H "Solution Structure Of Pin1 Ww Domain Complexed With Human Tau Phosphothreonine Peptide" 100.00 39 100.00 100.00 4.87e-15 PDB 1NMV "Solution Structure Of Human Pin1" 100.00 163 100.00 100.00 4.94e-15 PDB 1PIN "Pin1 Peptidyl-prolyl Cis-trans Isomerase From Homo Sapiens" 100.00 163 100.00 100.00 4.94e-15 PDB 2ITK "Human Pin1 Bound To D-Peptide" 100.00 167 96.97 96.97 4.36e-14 PDB 2KCF "The Nmr Solution Structure Of The Isolated Apo Pin1 Ww Domain" 100.00 36 100.00 100.00 5.85e-15 PDB 2LB3 "Structure Of The Ww Domain Of Pin1 In Complex With A Human Phosphorylated Smad3 Derived Peptide" 100.00 36 100.00 100.00 5.79e-15 PDB 2M8I "Structure Of Pin1 Ww Domain" 100.00 43 100.00 100.00 3.52e-15 PDB 2M8J "Structure Of Pin1 Ww Domain Phospho-mimic S16e" 100.00 43 96.97 96.97 1.19e-14 PDB 2Q5A "Human Pin1 Bound To L-Peptide" 100.00 167 96.97 96.97 4.36e-14 PDB 2XP3 "Discovery Of Cell-Active Phenyl-Imidazole Pin1 Inhibitors By Structure-Guided Fragment Evolution" 100.00 167 96.97 96.97 4.36e-14 PDB 2XP4 "Discovery Of Cell-Active Phenyl-Imidazole Pin1 Inhibitors By Structure-Guided Fragment Evolution" 100.00 167 96.97 96.97 4.36e-14 PDB 2XP5 "Discovery Of Cell-Active Phenyl-Imidazole Pin1 Inhibitors By Structure-Guided Fragment Evolution" 100.00 167 96.97 96.97 4.36e-14 PDB 2XP6 "Discovery Of Cell-Active Phenyl-Imidazole Pin1 Inhibitors By Structure-Guided Fragment Evolution" 100.00 167 96.97 96.97 4.10e-14 PDB 2XP7 "Discovery Of Cell-Active Phenyl-Imidazole Pin1 Inhibitors By Structure-Guided Fragment Evolution" 100.00 167 96.97 96.97 4.36e-14 PDB 2XP8 "Discovery Of Cell-Active Phenyl-Imidazole Pin1 Inhibitors By Structure-Guided Fragment Evolution" 100.00 167 96.97 96.97 4.36e-14 PDB 2XP9 "Discovery Of Cell-Active Phenyl-Imidazole Pin1 Inhibitors By Structure-Guided Fragment Evolution" 100.00 167 96.97 96.97 4.36e-14 PDB 2XPA "Discovery Of Cell-Active Phenyl-Imidazole Pin1 Inhibitors By Structure-Guided Fragment Evolution" 100.00 167 96.97 96.97 4.36e-14 PDB 2XPB "Discovery Of Cell-Active Phenyl-Imidazole Pin1 Inhibitors By Structure-Guided Fragment Evolution" 100.00 167 96.97 96.97 4.36e-14 PDB 2ZQS "Crystal Structure Of A Mutant Pin1 Peptidyl-Prolyl Cis-Trans Isomerase" 100.00 163 100.00 100.00 4.32e-15 PDB 2ZQT "Crystal Structure Of A Mutant Pin1 Peptidyl-Prolyl Cis-Trans Isomerase" 100.00 163 100.00 100.00 4.84e-15 PDB 2ZQU "Crystal Structure Of A Mutant Pin1 Peptidyl-Prolyl Cis-Trans Isomerase" 100.00 163 96.97 96.97 1.01e-13 PDB 2ZQV "Crystal Structure Of A Mutant Pin1 Peptidyl-Prolyl Cis-Trans Isomerase" 100.00 163 96.97 96.97 7.24e-14 PDB 2ZR4 "Crystal Structure Of A Mutant Pin1 Peptidyl-Prolyl Cis-Trans Isomerase" 100.00 163 96.97 100.00 1.07e-14 PDB 2ZR5 "Crystal Structure Of A Mutant Pin1 Peptidyl-Prolyl Cis-Trans Isomerase" 100.00 163 100.00 100.00 4.94e-15 PDB 2ZR6 "Crystal Structure Of A Mutant Pin1 Peptidyl-Prolyl Cis-Trans Isomerase" 100.00 163 96.97 96.97 4.11e-14 PDB 3KAB "Structure-Guided Design Of Alpha-Amino Acid-Derived Pin1 Inhibitors" 100.00 167 96.97 96.97 4.36e-14 PDB 3KAD "Structure-Guided Design Of Alpha-Amino Acid-Derived Pin1 Inhibitors" 100.00 167 96.97 96.97 4.10e-14 PDB 3KAF "Structure-Guided Design Of Alpha-Amino Acid-Derived Pin1 Inhibitors" 100.00 167 96.97 96.97 4.10e-14 PDB 3KAG "Structure-Guided Design Of Alpha-Amino Acid-Derived Pin1 Inhibitors" 100.00 167 96.97 96.97 4.36e-14 PDB 3KAH "Structure-Guided Design Of Alpha-Amino Acid-Derived Pin1 Inhibitors" 100.00 167 96.97 96.97 4.36e-14 PDB 3KAI "Structure-Guided Design Of Alpha-Amino Acid-Derived Pin1 Inhibitors" 100.00 167 96.97 96.97 4.36e-14 PDB 3KCE "Structure-Guided Design Of Alpha-Amino Acid-Derived Pin1 Inhibitors" 100.00 167 96.97 96.97 4.36e-14 PDB 3NTP "Human Pin1 Complexed With Reduced Amide Inhibitor" 100.00 167 96.97 96.97 4.36e-14 PDB 3ODK "Discovery Of Cell-Active Phenyl-Imidazole Pin1 Inhibitors By Structure-Guided Fragment Evolution" 100.00 167 96.97 96.97 4.36e-14 PDB 3OOB "Structural And Functional Insights Of Directly Targeting Pin1 By Epigallocatechin-3-Gallate" 100.00 163 96.97 96.97 4.11e-14 PDB 3TC5 "Selective Targeting Of Disease-Relevant Protein Binding Domains By O- Phosphorylated Natural Product Derivatives" 100.00 166 96.97 96.97 4.14e-14 PDB 3TCZ "Human Pin1 Bound To Cis Peptidomimetic Inhibitor" 100.00 158 96.97 96.97 4.27e-14 PDB 3TDB "Human Pin1 Bound To Trans Peptidomimetic Inhibitor" 100.00 158 96.97 96.97 4.27e-14 PDB 3WH0 "Structure Of Pin1 Complex With 18-crown-6" 100.00 163 96.97 96.97 4.11e-14 PDB 4GWT "Structure Of Racemic Pin1 Ww Domain Cocrystallized With Dl-malic Acid" 100.00 36 100.00 100.00 5.85e-15 PDB 4GWV "Structure Of Racemic Pin1 Ww Domain Cocrystallized With Tri-ammonium Citrate" 100.00 36 100.00 100.00 5.85e-15 PDB 4QIB "Oxidation-mediated Inhibition Of The Peptidyl-prolyl Isomerase Pin1" 100.00 159 96.97 96.97 4.41e-14 PDB 4U84 "Human Pin1 With S-hydroxyl-cysteine 113" 100.00 181 96.97 96.97 6.24e-14 PDB 4U85 "Human Pin1 With Cysteine Sulfinic Acid 113" 100.00 181 96.97 96.97 6.24e-14 PDB 4U86 "Human Pin1 With Cysteine Sulfonic Acid 113" 100.00 181 96.97 96.97 6.24e-14 DBJ BAA87037 "PIN1 [Mus sp.]" 100.00 165 100.00 100.00 5.29e-15 DBJ BAA87038 "PIN1 [Mus sp.]" 100.00 165 100.00 100.00 5.29e-15 DBJ BAB22270 "unnamed protein product [Mus musculus]" 100.00 165 100.00 100.00 5.29e-15 DBJ BAB22743 "unnamed protein product [Mus musculus]" 100.00 165 100.00 100.00 5.29e-15 DBJ BAC35631 "unnamed protein product [Mus musculus]" 100.00 165 100.00 100.00 5.29e-15 EMBL CAG28582 "UBL5 [Homo sapiens]" 100.00 163 100.00 100.00 4.94e-15 GB AAC50492 "Pin1 [Homo sapiens]" 100.00 163 100.00 100.00 4.94e-15 GB AAH02899 "Peptidylprolyl cis/trans isomerase, NIMA-interacting 1 [Homo sapiens]" 100.00 163 100.00 100.00 4.94e-15 GB AAH38254 "Protein (peptidyl-prolyl cis/trans isomerase) NIMA-interacting 1 [Mus musculus]" 100.00 165 100.00 100.00 5.29e-15 GB AAH59553 "Protein (peptidyl-prolyl cis/trans isomerase) NIMA-interacting 1 [Danio rerio]" 100.00 159 96.97 96.97 3.90e-14 GB AAI12584 "Peptidylprolyl cis/trans isomerase, NIMA-interacting 1 [Bos taurus]" 100.00 163 100.00 100.00 4.84e-15 PRF 2209428A "peptidyl-Pro isomerase" 100.00 163 100.00 100.00 4.94e-15 REF NP_001029804 "peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 [Bos taurus]" 100.00 163 100.00 100.00 4.84e-15 REF NP_001100171 "peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 [Rattus norvegicus]" 100.00 165 96.97 96.97 5.29e-14 REF NP_001231300 "peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 [Sus scrofa]" 100.00 163 100.00 100.00 5.20e-15 REF NP_001270625 "peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 [Macaca fascicularis]" 100.00 163 96.97 96.97 3.82e-14 REF NP_006212 "peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 [Homo sapiens]" 100.00 163 100.00 100.00 4.94e-15 SP Q13526 "RecName: Full=Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1; AltName: Full=Peptidyl-prolyl cis-trans isomerase Pin1; S" 100.00 163 100.00 100.00 4.94e-15 SP Q4R383 "RecName: Full=Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1; AltName: Full=Peptidyl-prolyl cis-trans isomerase Pin1; S" 100.00 163 96.97 96.97 3.82e-14 SP Q5BIN5 "RecName: Full=Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1; AltName: Full=Peptidyl-prolyl cis-trans isomerase Pin1; S" 100.00 163 100.00 100.00 4.84e-15 SP Q9QUR7 "RecName: Full=Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1; AltName: Full=Peptidyl-prolyl cis-trans isomerase Pin1; S" 100.00 165 100.00 100.00 5.29e-15 TPG DAA28013 "TPA: peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 [Bos taurus]" 100.00 163 100.00 100.00 4.84e-15 stop_ save_ save_CPEB1 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common CPEB1 _Molecular_mass 1007.111 _Mol_thiol_state 'not present' _Details . _Residue_count 8 _Mol_residue_sequence ; RIXPPLPF ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 208 ARG 2 209 ILE 3 210 SEP 4 211 PRO 5 212 PRO 6 213 LEU 7 214 PRO 8 215 PHE stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value UNP Q91572 CPEB1 . . . . . stop_ save_ ###################### # Polymer residues # ###################### save_chem_comp_SEP _Saveframe_category polymer_residue _Mol_type 'L-PEPTIDE LINKING' _Name_common PHOSPHOSERINE _BMRB_code SEP _PDB_code SEP _Standard_residue_derivative . _Molecular_mass 185.072 _Mol_paramagnetic . _Details . loop_ _Atom_name _PDB_atom_name _Atom_type _Atom_chirality _Atom_charge _Atom_oxidation_number _Atom_unpaired_electrons N N N . 0 . ? CA CA C . 0 . ? CB CB C . 0 . ? OG OG O . 0 . ? C C C . 0 . ? O O O . 0 . ? OXT OXT O . 0 . ? P P P . 0 . ? O1P O1P O . 0 . ? O2P O2P O . 0 . ? O3P O3P O . 0 . ? H H H . 0 . ? H2 H2 H . 0 . ? HA HA H . 0 . ? HB2 HB2 H . 0 . ? HB3 HB3 H . 0 . ? HXT HXT H . 0 . ? HOP2 HOP2 H . 0 . ? HOP3 HOP3 H . 0 . ? stop_ loop_ _Bond_order _Bond_atom_one_atom_name _Bond_atom_two_atom_name _PDB_bond_atom_one_atom_name _PDB_bond_atom_two_atom_name SING N CA ? ? SING N H ? ? SING N H2 ? ? SING CA CB ? ? SING CA C ? ? SING CA HA ? ? SING CB OG ? ? SING CB HB2 ? ? SING CB HB3 ? ? SING OG P ? ? DOUB C O ? ? SING C OXT ? ? SING OXT HXT ? ? DOUB P O1P ? ? SING P O2P ? ? SING P O3P ? ? SING O2P HOP2 ? ? SING O3P HOP3 ? ? stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $Pin1 Human 9606 Eukaryota Metazoa Homo sapiens $CPEB1 'African clawed frog' 8355 Eukaryota Metazoa Xenopus laevis 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 $Pin1 'recombinant technology' . . . . pETM30 $CPEB1 'chemical synthesis' . . . . . stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $Pin1 1 mM 'natural abundance' $CPEB1 3 mM 'natural abundance' D2O 10 % '[U-100% 2H]' TRIS 20 mM '[U-100% 2H]' 'sodium chloride' 130 mM 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_CNSSOLVE _Saveframe_category software _Name CNSSOLVE _Version . loop_ _Vendor _Address _Electronic_address 'Brunger, Adams, Clore, Gros, Nilges and Read' . . stop_ loop_ _Task 'structure solution' stop_ _Details . save_ save_XEASY _Saveframe_category software _Name XEASY _Version . loop_ _Vendor _Address _Electronic_address 'Bartels et al.' . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ save_TOPSPIN _Saveframe_category software _Name TOPSPIN _Version . loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection stop_ _Details . save_ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version . loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task processing stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_Blanquito _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-1H_NOESY_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H NOESY' _Sample_label $sample_1 save_ save_2D_1H-1H_TOCSY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H TOCSY' _Sample_label $sample_1 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 . pH pressure 1 . atm temperature 285 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _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 H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Software_label $XEASY stop_ loop_ _Experiment_label '2D 1H-1H NOESY' '2D 1H-1H TOCSY' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name Pin1 _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 7 1 LEU HA H 4.390 0.001 1 2 7 1 LEU HB2 H 1.607 0.001 2 3 7 1 LEU HB3 H 1.555 0.01 2 4 7 1 LEU HG H 1.196 0.01 1 5 7 1 LEU HD1 H 0.869 0.002 2 6 7 1 LEU HD2 H 0.560 0.002 2 7 8 2 PRO HA H 4.610 0.01 1 8 8 2 PRO HB2 H 2.366 0.001 2 9 8 2 PRO HB3 H 1.556 0.01 2 10 8 2 PRO HG2 H 1.399 0.01 2 11 8 2 PRO HD2 H 3.454 0.01 2 12 8 2 PRO HD3 H 2.794 0.001 2 13 9 3 PRO HA H 4.158 0.002 1 14 9 3 PRO HB2 H 1.930 0.01 2 15 9 3 PRO HB3 H 1.828 0.01 2 16 9 3 PRO HG2 H 1.645 0.01 2 17 9 3 PRO HD2 H 3.695 0.01 2 18 9 3 PRO HD3 H 3.420 0.01 2 19 10 4 GLY HA2 H 3.064 0.01 2 20 10 4 GLY HA3 H 3.777 0.002 2 21 11 5 TRP H H 7.151 0.01 1 22 11 5 TRP HA H 5.095 0.002 1 23 11 5 TRP HB2 H 3.041 0.01 2 24 11 5 TRP HB3 H 2.754 0.01 2 25 11 5 TRP HD1 H 6.754 0.01 1 26 11 5 TRP HE3 H 7.189 0.01 1 27 11 5 TRP HZ2 H 7.213 0.001 1 28 11 5 TRP HZ3 H 6.689 0.001 1 29 11 5 TRP HH2 H 6.776 0.01 1 30 12 6 GLU HA H 4.641 0.01 1 31 12 6 GLU HB2 H 2.033 0.002 2 32 12 6 GLU HB3 H 1.996 0.01 2 33 12 6 GLU HG2 H 2.333 0.01 2 34 12 6 GLU HG3 H 2.293 0.01 2 35 13 7 LYS HA H 4.318 0.01 1 36 13 7 LYS HB2 H 1.479 0.01 2 37 13 7 LYS HB3 H 1.412 0.001 2 38 13 7 LYS HG2 H 0.864 0.001 2 39 13 7 LYS HD2 H 1.009 0.001 2 40 13 7 LYS HE2 H 2.737 0.001 2 41 14 8 ARG HA H 4.104 0.01 1 42 14 8 ARG HB2 H 1.141 0.001 2 43 14 8 ARG HB3 H 1.008 0.001 2 44 14 8 ARG HG2 H -0.154 0.01 2 45 14 8 ARG HG3 H -0.178 0.004 2 46 14 8 ARG HD2 H 2.612 0.01 2 47 14 8 ARG HD3 H 2.473 0.01 2 48 14 8 ARG HE H 6.657 0.01 1 49 14 8 ARG HH21 H 6.213 0.004 2 50 15 9 MET HA H 4.674 0.01 1 51 15 9 MET HB2 H 1.518 0.162 2 52 15 9 MET HB3 H 0.986 0.01 2 53 15 9 MET HG2 H 2.224 0.01 2 54 15 9 MET HG3 H 1.749 0.01 2 55 16 10 SER HA H 4.856 0.002 1 56 16 10 SER HB2 H 4.133 0.003 2 57 16 10 SER HB3 H 4.123 0.01 2 58 17 11 ARG HA H 4.002 0.01 1 59 17 11 ARG HB2 H 1.758 0.002 2 60 17 11 ARG HB3 H 1.721 0.001 2 61 17 11 ARG HG2 H 1.617 0.01 2 62 17 11 ARG HD2 H 3.063 0.01 2 63 17 11 ARG HD3 H 2.941 0.004 2 64 18 12 SER HA H 4.526 0.01 1 65 18 12 SER HB2 H 3.734 0.01 2 66 18 12 SER HB3 H 3.610 0.01 2 67 19 13 SER HA H 4.163 0.002 1 68 19 13 SER HB2 H 3.697 0.001 2 69 19 13 SER HB3 H 3.675 0.002 2 70 20 14 GLY HA2 H 3.734 0.01 2 71 20 14 GLY HA3 H 3.900 0.002 2 72 21 15 ARG HA H 4.229 0.01 1 73 21 15 ARG HB2 H 1.509 0.01 2 74 21 15 ARG HB3 H 1.351 0.01 2 75 21 15 ARG HG2 H 1.686 0.01 2 76 21 15 ARG HD2 H 2.422 0.01 2 77 21 15 ARG HD3 H 2.214 0.01 2 78 21 15 ARG HE H 6.731 0.01 1 79 21 15 ARG HH22 H 6.899 0.01 2 80 22 16 VAL HA H 4.461 0.01 1 81 22 16 VAL HB H 1.765 0.001 1 82 22 16 VAL HG1 H 0.804 0.01 2 83 22 16 VAL HG2 H 0.590 0.001 2 84 23 17 TYR HA H 4.661 0.003 1 85 23 17 TYR HB2 H 2.613 0.001 2 86 23 17 TYR HB3 H 2.270 0.002 2 87 23 17 TYR HD1 H 6.608 0.01 3 88 23 17 TYR HE1 H 6.204 0.01 3 89 24 18 TYR HA H 5.082 0.001 1 90 24 18 TYR HB2 H 2.744 0.01 2 91 24 18 TYR HB3 H 2.465 0.003 2 92 24 18 TYR HD2 H 6.637 0.01 3 93 24 18 TYR HE2 H 6.552 0.01 3 94 25 19 PHE HA H 5.386 0.001 1 95 25 19 PHE HB2 H 2.700 0.001 2 96 25 19 PHE HB3 H 2.360 0.01 2 97 25 19 PHE HD1 H 6.683 0.01 3 98 25 19 PHE HE1 H 6.750 0.01 3 99 25 19 PHE HZ H 7.069 0.01 1 100 26 20 ASN H H 7.910 0.01 1 101 26 20 ASN HA H 4.167 0.002 1 102 26 20 ASN HB2 H 1.758 0.005 2 103 26 20 ASN HB3 H -0.919 0.001 2 104 26 20 ASN HD22 H 3.944 0.01 2 105 27 21 HIS HA H 3.854 0.001 1 106 27 21 HIS HB2 H 3.049 0.001 2 107 27 21 HIS HB3 H 2.799 0.01 2 108 27 21 HIS HD2 H 6.742 0.002 1 109 27 21 HIS HE1 H 7.612 0.002 1 110 28 22 ILE HA H 3.603 0.01 1 111 28 22 ILE HB H 1.778 0.01 1 112 28 22 ILE HG12 H 1.063 0.01 2 113 28 22 ILE HG13 H 0.760 0.01 2 114 28 22 ILE HG2 H 0.503 0.001 1 115 28 22 ILE HD1 H 0.543 0.01 1 116 29 23 THR H H 7.179 0.01 1 117 29 23 THR HA H 3.859 0.001 1 118 29 23 THR HB H 3.998 0.001 1 119 29 23 THR HG1 H 1.287 0.01 1 120 29 23 THR HG2 H 0.702 0.002 1 121 30 24 ASN HA H 3.910 0.01 1 122 30 24 ASN HB2 H 2.862 0.01 2 123 30 24 ASN HB3 H 2.695 0.01 2 124 30 24 ASN HD21 H 7.224 0.01 2 125 30 24 ASN HD22 H 6.618 0.001 2 126 31 25 ALA HA H 4.181 0.001 1 127 31 25 ALA HB H 1.005 0.002 1 128 32 26 SER H H 8.063 0.01 1 129 32 26 SER HA H 5.762 0.001 1 130 32 26 SER HB2 H 3.708 0.01 2 131 32 26 SER HB3 H 3.568 0.01 2 132 33 27 GLN HA H 4.667 0.01 1 133 33 27 GLN HB2 H 2.037 0.002 2 134 33 27 GLN HG2 H 2.501 0.01 2 135 33 27 GLN HG3 H 2.753 0.946 2 136 34 28 TRP HA H 4.664 0.01 1 137 34 28 TRP HB2 H 3.375 0.001 2 138 34 28 TRP HB3 H 2.964 0.01 2 139 34 28 TRP HD1 H 7.242 0.01 1 140 34 28 TRP HE3 H 8.010 0.01 1 141 34 28 TRP HZ2 H 7.099 0.01 1 142 34 28 TRP HZ3 H 6.726 0.001 1 143 34 28 TRP HH2 H 6.901 0.01 1 144 35 29 GLU HA H 4.125 0.01 1 145 35 29 GLU HB2 H 1.684 0.01 2 146 35 29 GLU HB3 H 1.602 0.01 2 147 35 29 GLU HG2 H 2.123 0.01 2 148 35 29 GLU HG3 H 2.053 0.01 2 149 36 30 ARG HA H 2.466 0.01 1 150 36 30 ARG HB2 H 1.136 0.001 2 151 36 30 ARG HB3 H 0.965 0.01 2 152 36 30 ARG HG2 H 0.671 0.01 2 153 36 30 ARG HG3 H 0.553 0.01 2 154 36 30 ARG HD2 H 2.770 0.01 2 155 36 30 ARG HE H 7.058 0.01 1 156 37 31 PRO HA H 3.666 0.01 1 157 37 31 PRO HB2 H 0.565 0.01 2 158 37 31 PRO HB3 H 0.467 0.01 2 159 37 31 PRO HG2 H 0.313 0.01 2 160 37 31 PRO HG3 H -0.323 0.01 2 161 37 31 PRO HD2 H 2.264 0.01 2 162 37 31 PRO HD3 H 2.051 0.001 2 163 38 32 SER HA H 4.098 0.01 1 164 38 32 SER HB2 H 3.575 0.01 2 165 38 32 SER HB3 H 3.473 0.011 2 stop_ save_ save_assigned_chem_shift_list_1_2 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Software_label $XEASY stop_ loop_ _Experiment_label '2D 1H-1H NOESY' '2D 1H-1H TOCSY' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name CPEB1 _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 1 208 1 ARG HA H 4.220 0.003 1 2 208 1 ARG HB2 H 1.866 0.003 2 3 208 1 ARG HB3 H 1.809 0.001 2 4 208 1 ARG HG2 H 1.720 0.001 2 5 208 1 ARG HD2 H 2.404 0.001 2 6 208 1 ARG HD3 H 2.336 0.001 2 7 209 2 ILE HA H 4.010 0.01 1 8 209 2 ILE HB H 1.597 0.002 1 9 209 2 ILE HG12 H 1.227 0.01 2 10 209 2 ILE HG13 H 0.925 0.01 2 11 209 2 ILE HG2 H 0.646 0.01 1 12 209 2 ILE HD1 H 0.594 0.01 1 13 210 3 SEP HA H 4.344 0.001 1 14 210 3 SEP HB2 H 3.742 0.002 2 15 210 3 SEP HB3 H 3.627 0.003 2 16 211 4 PRO HA H 4.419 0.001 1 17 211 4 PRO HB2 H 2.063 0.01 2 18 211 4 PRO HB3 H 1.643 0.002 2 19 211 4 PRO HG2 H 1.557 0.001 2 20 211 4 PRO HG3 H 1.734 0.002 2 21 211 4 PRO HD2 H 3.581 0.001 2 22 211 4 PRO HD3 H 3.382 0.001 2 23 212 5 PRO HA H 4.193 0.001 1 24 212 5 PRO HB2 H 2.063 0.01 2 25 212 5 PRO HB3 H 1.776 0.001 2 26 212 5 PRO HG2 H 1.785 0.01 2 27 212 5 PRO HG3 H 1.577 0.01 2 28 212 5 PRO HD2 H 3.577 0.01 2 29 212 5 PRO HD3 H 3.386 0.005 2 30 213 6 LEU HA H 4.335 0.001 1 31 213 6 LEU HB2 H 1.486 0.012 2 32 213 6 LEU HB3 H 1.344 0.005 2 33 213 6 LEU HG H 1.260 0.003 1 34 213 6 LEU HD1 H 0.696 0.007 2 35 213 6 LEU HD2 H 0.674 0.01 2 36 214 7 PRO HA H 4.113 0.01 1 37 214 7 PRO HB2 H 1.971 0.001 2 38 214 7 PRO HG2 H 1.748 0.001 2 39 214 7 PRO HG3 H 1.541 0.002 2 40 214 7 PRO HD2 H 3.581 0.001 2 41 214 7 PRO HD3 H 3.384 0.001 2 42 215 8 PHE HA H 4.268 0.003 1 43 215 8 PHE HB2 H 2.909 0.01 2 44 215 8 PHE HB3 H 2.869 0.01 2 45 215 8 PHE HD2 H 7.037 0.001 3 46 215 8 PHE HE2 H 7.145 0.01 3 stop_ save_