data_26503 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 26503 _Entry.Title ; A 13C Labeling Strategy Reveals a Range of Aromatic Side Chain Motion in Calmodulin ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2015-01-07 _Entry.Accession_date 2015-01-07 _Entry.Last_release_date 2015-01-23 _Entry.Original_release_date 2015-01-23 _Entry.Origination BMRB _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Vignesh Kasinath . . . 26503 2 Kathleen Valentine . G. . 26503 3 Joshua Wand . A. . 26503 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID heteronucl_T1_relaxation 6 26503 heteronucl_T1rho_relaxation 6 26503 order_parameters 3 26503 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID 'T1 relaxation values' 56 26503 'T1rho relaxation values' 56 26503 'order parameters' 30 26503 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2015-01-23 2015-01-07 original author . 26503 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 26503 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 23767407 _Citation.Full_citation . _Citation.Title ; A 13C Labeling Strategy Reveals a Range of Aromatic Side Chain Motion in Calmodulin ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Am. Chem. Soc.' _Citation.Journal_name_full . _Citation.Journal_volume 135 _Citation.Journal_issue 26 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 9560 _Citation.Page_last 9563 _Citation.Year 2013 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Vignesh Kasinath . . . 26503 1 2 Kathleen Valentine . G. . 26503 1 3 Joshua Wand . A. . 26503 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 26503 _Assembly.ID 1 _Assembly.Name (Ca)4-Calmodulin _Assembly.BMRB_code . _Assembly.Number_of_components 5 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 Calmodulin 1 $Calmodulin A . yes native no no . . . 26503 1 2 'Calcium ion 1' 2 $entity_CA B . no native no no . . . 26503 1 3 'Calcium ion 2' 2 $entity_CA C . no native no no . . . 26503 1 4 'Calcium ion 3' 2 $entity_CA D . no native no no . . . 26503 1 5 'Calcium ion 4' 2 $entity_CA E . no native no no . . . 26503 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Calmodulin _Entity.Sf_category entity _Entity.Sf_framecode Calmodulin _Entity.Entry_ID 26503 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name Calmodulin _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; ADQLTEEQIAEFKEAFSLFD KDGDGTITTKELGTVMRSLG QNPTEAELQDMINEVDADGN GTIDFPEFLTMMARKMKDTD SEEEIREAFRVFDKDGNGYI SAAELRHVMTNLGEKLTDEE VDEMIREADIDGDGQVNYEE FVQMMTAK ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 148 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no BMRB 15184 . calmodulin . . . . . 100.00 148 100.00 100.00 4.91e-100 . . . . 26503 1 2 no BMRB 15185 . calmodulin . . . . . 100.00 148 100.00 100.00 4.91e-100 . . . . 26503 1 3 no BMRB 15186 . calmodulin . . . . . 100.00 148 100.00 100.00 4.91e-100 . . . . 26503 1 4 no BMRB 15187 . calmodulin . . . . . 100.00 148 100.00 100.00 4.91e-100 . . . . 26503 1 5 no BMRB 15188 . calmodulin . . . . . 100.00 148 99.32 100.00 9.77e-100 . . . . 26503 1 6 no BMRB 15191 . Calmodulin . . . . . 100.00 148 100.00 100.00 4.91e-100 . . . . 26503 1 7 no BMRB 15470 . calmodulin . . . . . 100.00 148 99.32 100.00 2.01e-99 . . . . 26503 1 8 no BMRB 15624 . Calmodulin . . . . . 100.00 148 100.00 100.00 4.91e-100 . . . . 26503 1 9 no BMRB 15650 . calmodulin . . . . . 100.00 148 99.32 100.00 3.32e-99 . . . . 26503 1 10 no BMRB 15852 . calmodulin . . . . . 100.00 148 99.32 100.00 3.32e-99 . . . . 26503 1 11 no BMRB 1634 . calmodulin . . . . . 100.00 148 97.30 99.32 2.54e-97 . . . . 26503 1 12 no BMRB 16418 . apoCaM . . . . . 100.00 148 100.00 100.00 4.91e-100 . . . . 26503 1 13 no BMRB 16465 . entity_1 . . . . . 100.00 148 100.00 100.00 4.91e-100 . . . . 26503 1 14 no BMRB 1648 . calmodulin . . . . . 100.00 148 97.30 99.32 2.54e-97 . . . . 26503 1 15 no BMRB 16764 . CALMODULIN . . . . . 100.00 150 100.00 100.00 5.25e-100 . . . . 26503 1 16 no BMRB 17264 . calmodulin . . . . . 100.00 148 100.00 100.00 4.91e-100 . . . . 26503 1 17 no BMRB 17360 . entity_1 . . . . . 100.00 148 100.00 100.00 4.91e-100 . . . . 26503 1 18 no BMRB 17771 . Calmodulin . . . . . 100.00 148 100.00 100.00 4.91e-100 . . . . 26503 1 19 no BMRB 17807 . Calmodulin . . . . . 99.32 147 100.00 100.00 2.55e-99 . . . . 26503 1 20 no BMRB 18027 . CaM . . . . . 100.00 148 100.00 100.00 4.91e-100 . . . . 26503 1 21 no BMRB 18028 . CaM . . . . . 100.00 148 100.00 100.00 4.91e-100 . . . . 26503 1 22 no BMRB 18556 . Calmodulin . . . . . 100.00 148 98.65 99.32 2.65e-98 . . . . 26503 1 23 no BMRB 19036 . calmodulin . . . . . 100.00 148 100.00 100.00 4.91e-100 . . . . 26503 1 24 no BMRB 19238 . Calmodulin_prototypical_calcium_sensor . . . . . 100.00 148 100.00 100.00 4.91e-100 . . . . 26503 1 25 no BMRB 19586 . entity_1 . . . . . 100.00 148 100.00 100.00 4.91e-100 . . . . 26503 1 26 no BMRB 19604 . calmodulin . . . . . 100.00 148 100.00 100.00 4.91e-100 . . . . 26503 1 27 no BMRB 25253 . CaM . . . . . 100.00 148 98.65 99.32 1.22e-97 . . . . 26503 1 28 no BMRB 25257 . CaM . . . . . 100.00 148 98.65 99.32 1.22e-97 . . . . 26503 1 29 no BMRB 26626 . CaM . . . . . 100.00 148 100.00 100.00 4.91e-100 . . . . 26503 1 30 no BMRB 26627 . CaM . . . . . 100.00 148 100.00 100.00 4.91e-100 . . . . 26503 1 31 no BMRB 4056 . calmodulin . . . . . 100.00 148 100.00 100.00 4.91e-100 . . . . 26503 1 32 no BMRB 4270 . calmodulin . . . . . 100.00 148 100.00 100.00 4.91e-100 . . . . 26503 1 33 no BMRB 4284 . Calmodulin . . . . . 100.00 148 100.00 100.00 4.91e-100 . . . . 26503 1 34 no BMRB 4310 . calmodulin . . . . . 100.00 148 100.00 100.00 4.91e-100 . . . . 26503 1 35 no PDB 1A29 . "Calmodulin Complexed With Trifluoperazine (1:2 Complex)" . . . . . 100.00 148 100.00 100.00 4.91e-100 . . . . 26503 1 36 no PDB 1CFC . "Calcium-Free Calmodulin" . . . . . 100.00 148 100.00 100.00 4.91e-100 . . . . 26503 1 37 no PDB 1CFD . "Calcium-Free Calmodulin" . . . . . 100.00 148 100.00 100.00 4.91e-100 . . . . 26503 1 38 no PDB 1CFF . "Nmr Solution Structure Of A Complex Of Calmodulin With A Binding Peptide Of The Ca2+-Pump" . . . . . 100.00 148 100.00 100.00 4.91e-100 . . . . 26503 1 39 no PDB 1CKK . "CalmodulinRAT CA2+CALMODULIN DEPENDENT PROTEIN KINASE Fragment" . . . . . 100.00 148 100.00 100.00 4.91e-100 . . . . 26503 1 40 no PDB 1CLL . "Calmodulin Structure Refined At 1.7 Angstroms Resolution" . . . . . 100.00 148 100.00 100.00 4.91e-100 . . . . 26503 1 41 no PDB 1CM1 . "Motions Of Calmodulin-Single-Conformer Refinement" . . . . . 100.00 148 100.00 100.00 4.91e-100 . . . . 26503 1 42 no PDB 1CM4 . "Motions Of Calmodulin-four-conformer Refinement" . . . . . 100.00 148 100.00 100.00 4.91e-100 . . . . 26503 1 43 no PDB 1CTR . "Drug Binding By Calmodulin: Crystal Structure Of A Calmodulin-Trifluoperazine Complex" . . . . . 100.00 148 100.00 100.00 4.91e-100 . . . . 26503 1 44 no PDB 1DMO . "Calmodulin, Nmr, 30 Structures" . . . . . 100.00 148 99.32 100.00 2.01e-99 . . . . 26503 1 45 no PDB 1G4Y . "1.60 A Crystal Structure Of The Gating Domain From Small Conductance Potassium Channel Complexed With Calcium-Calmodulin" . . . . . 100.00 148 100.00 100.00 4.91e-100 . . . . 26503 1 46 no PDB 1IQ5 . "CalmodulinNEMATODE CA2+CALMODULIN DEPENDENT KINASE KINASE Fragment" . . . . . 100.00 149 100.00 100.00 5.13e-100 . . . . 26503 1 47 no PDB 1IWQ . "Crystal Structure Of Marcks Calmodulin Binding Domain Peptide Complexed With Ca2+CALMODULIN" . . . . . 100.00 148 100.00 100.00 4.91e-100 . . . . 26503 1 48 no PDB 1K90 . "Crystal Structure Of The Adenylyl Cyclase Domain Of Anthrax Edema Factor (Ef) In Complex With Calmodulin And 3' Deoxy-Atp" . . . . . 100.00 148 100.00 100.00 4.91e-100 . . . . 26503 1 49 no PDB 1K93 . "Crystal Structure Of The Adenylyl Cyclase Domain Of Anthrax Edema Factor (Ef) In Complex With Calmodulin" . . . . . 97.30 144 100.00 100.00 4.42e-97 . . . . 26503 1 50 no PDB 1L7Z . "Crystal Structure Of Ca2+/calmodulin Complexed With Myristoylated Cap-23/nap-22 Peptide" . . . . . 100.00 148 100.00 100.00 4.91e-100 . . . . 26503 1 51 no PDB 1LIN . "Calmodulin Complexed With Trifluoperazine (1:4 Complex)" . . . . . 100.00 148 100.00 100.00 4.91e-100 . . . . 26503 1 52 no PDB 1LVC . "Crystal Structure Of The Adenylyl Cyclase Domain Of Anthrax Edema Factor (Ef) In Complex With Calmodulin And 2' Deoxy, 3' Anthr" . . . . . 100.00 149 100.00 100.00 5.13e-100 . . . . 26503 1 53 no PDB 1MUX . "Solution Nmr Structure Of CalmodulinW-7 Complex: The Basis Of Diversity In Molecular Recognition, 30 Structures" . . . . . 100.00 148 100.00 100.00 4.91e-100 . . . . 26503 1 54 no PDB 1MXE . "Structure Of The Complex Of Calmodulin With The Target Sequence Of Camki" . . . . . 100.00 148 97.97 99.32 6.77e-98 . . . . 26503 1 55 no PDB 1NWD . "Solution Structure Of Ca2+CALMODULIN BOUND TO THE C- Terminal Domain Of Petunia Glutamate Decarboxylase" . . . . . 100.00 148 100.00 100.00 4.91e-100 . . . . 26503 1 56 no PDB 1OOJ . "Structural Genomics Of Caenorhabditis Elegans : Calmodulin" . . . . . 100.00 149 97.97 98.65 1.28e-97 . . . . 26503 1 57 no PDB 1PRW . "Crystal Structure Of Bovine Brain Ca++ Calmodulin In A Compact Form" . . . . . 100.00 149 99.32 99.32 4.27e-99 . . . . 26503 1 58 no PDB 1QIV . "Calmodulin Complexed With N-(3,3,-Diphenylpropyl)-N'-[1-R-( 3,4-Bis-Butoxyphenyl)-Ethyl]-Propylenediamine (Dpd), 1:2 Complex" . . . . . 100.00 148 100.00 100.00 4.91e-100 . . . . 26503 1 59 no PDB 1QIW . "Calmodulin Complexed With N-(3,3,-Diphenylpropyl)-N'-[1-R-( 3,4-Bis-Butoxyphenyl)-Ethyl]-Propylenediamine (Dpd)" . . . . . 100.00 148 100.00 100.00 4.91e-100 . . . . 26503 1 60 no PDB 1QX5 . "Crystal Structure Of Apocalmodulin" . . . . . 100.00 148 100.00 100.00 4.91e-100 . . . . 26503 1 61 no PDB 1S26 . "Structure Of Anthrax Edema Factor-calmodulin-alpha,beta- Methyleneadenosine 5'-triphosphate Complex Reveals An Alternative Mode" . . . . . 100.00 148 100.00 100.00 4.91e-100 . . . . 26503 1 62 no PDB 1SK6 . "Crystal Structure Of The Adenylyl Cyclase Domain Of Anthrax Edema Factor (Ef) In Complex With Calmodulin, 3',5' Cyclic Amp (Cam" . . . . . 100.00 148 100.00 100.00 4.91e-100 . . . . 26503 1 63 no PDB 1SY9 . "Structure Of Calmodulin Complexed With A Fragment Of The Olfactory Cng Channel" . . . . . 100.00 148 100.00 100.00 4.91e-100 . . . . 26503 1 64 no PDB 1UP5 . "Chicken Calmodulin" . . . . . 100.00 148 99.32 99.32 4.13e-99 . . . . 26503 1 65 no PDB 1WRZ . "Calmodulin Complexed With A Peptide From A Human Death-Associated Protein Kinase" . . . . . 100.00 149 100.00 100.00 5.13e-100 . . . . 26503 1 66 no PDB 1X02 . "Solution Structure Of Stereo Array Isotope Labeled (Sail) Calmodulin" . . . . . 100.00 148 100.00 100.00 4.91e-100 . . . . 26503 1 67 no PDB 1XA5 . "Structure Of Calmodulin In Complex With Kar-2, A Bis-Indol Alkaloid" . . . . . 100.00 148 100.00 100.00 4.91e-100 . . . . 26503 1 68 no PDB 1XFU . "Crystal Structure Of Anthrax Edema Factor (ef) Truncation Mutant, Ef-delta 64 In Complex With Calmodulin" . . . . . 100.00 149 99.32 100.00 1.22e-99 . . . . 26503 1 69 no PDB 1XFV . "Crystal Structure Of Anthrax Edema Factor (Ef) In Complex With Calmodulin And 3' Deoxy-Atp" . . . . . 100.00 149 99.32 100.00 1.22e-99 . . . . 26503 1 70 no PDB 1XFW . "Crystal Structure Of Anthrax Edema Factor (Ef) In Complex With Calmodulin And 3'5' Cyclic Amp (Camp)" . . . . . 100.00 149 99.32 100.00 1.22e-99 . . . . 26503 1 71 no PDB 1XFY . "Crystal Structure Of Anthrax Edema Factor (Ef) In Complex With Calmodulin" . . . . . 100.00 149 99.32 100.00 1.22e-99 . . . . 26503 1 72 no PDB 1XFZ . "Crystal Structure Of Anthrax Edema Factor (ef) In Complex With Calmodulin In The Presence Of 1 Millimolar Exogenously Added Cal" . . . . . 100.00 149 99.32 100.00 1.22e-99 . . . . 26503 1 73 no PDB 1Y0V . "Crystal Structure Of Anthrax Edema Factor (Ef) In Complex With Calmodulin And Pyrophosphate" . . . . . 97.30 146 100.00 100.00 3.80e-97 . . . . 26503 1 74 no PDB 1YR5 . "1.7-A Structure Of Calmodulin Bound To A Peptide From Dap Kinase" . . . . . 100.00 148 100.00 100.00 4.91e-100 . . . . 26503 1 75 no PDB 2BBM . "Solution Structure Of A Calmodulin-Target Peptide Complex By Multidimensional Nmr" . . . . . 100.00 148 97.97 99.32 6.77e-98 . . . . 26503 1 76 no PDB 2BBN . "Solution Structure Of A Calmodulin-Target Peptide Complex By Multidimensional Nmr" . . . . . 100.00 148 97.97 99.32 6.77e-98 . . . . 26503 1 77 no PDB 2BCX . "Crystal Structure Of Calmodulin In Complex With A Ryanodine Receptor Peptide" . . . . . 100.00 148 100.00 100.00 4.91e-100 . . . . 26503 1 78 no PDB 2BKH . "Myosin Vi Nucleotide-Free (Mdinsert2) Crystal Structure" . . . . . 100.00 149 97.97 99.32 5.16e-98 . . . . 26503 1 79 no PDB 2BKI . "Myosin Vi Nucleotide-free (mdinsert2-iq) Crystal Structure" . . . . . 100.00 149 100.00 100.00 5.13e-100 . . . . 26503 1 80 no PDB 2DFS . "3-D Structure Of Myosin-V Inhibited State" . . . . . 100.00 148 100.00 100.00 4.91e-100 . . . . 26503 1 81 no PDB 2F2O . "Structure Of Calmodulin Bound To A Calcineurin Peptide: A New Way Of Making An Old Binding Mode" . . . . . 100.00 179 100.00 100.00 7.91e-100 . . . . 26503 1 82 no PDB 2F2P . "Structure Of Calmodulin Bound To A Calcineurin Peptide: A New Way Of Making An Old Binding Mode" . . . . . 100.00 179 100.00 100.00 7.91e-100 . . . . 26503 1 83 no PDB 2F3Y . "CalmodulinIQ DOMAIN COMPLEX" . . . . . 100.00 148 100.00 100.00 4.91e-100 . . . . 26503 1 84 no PDB 2F3Z . "CalmodulinIQ-Aa Domain Complex" . . . . . 100.00 148 100.00 100.00 4.91e-100 . . . . 26503 1 85 no PDB 2FOT . "Crystal Structure Of The Complex Between Calmodulin And Alphaii-Spectrin" . . . . . 100.00 148 100.00 100.00 4.91e-100 . . . . 26503 1 86 no PDB 2HQW . "Crystal Structure Of Ca2+CALMODULIN BOUND TO NMDA RECEPTOR NR1C1 Peptide" . . . . . 100.00 148 100.00 100.00 4.91e-100 . . . . 26503 1 87 no PDB 2JZI . "Structure Of Calmodulin Complexed With The Calmodulin Binding Domain Of Calcineurin" . . . . . 100.00 148 100.00 100.00 4.91e-100 . . . . 26503 1 88 no PDB 2K0E . "A Coupled Equilibrium Shift Mechanism In Calmodulin- Mediated Signal Transduction" . . . . . 100.00 148 100.00 100.00 4.91e-100 . . . . 26503 1 89 no PDB 2K0F . "Calmodulin Complexed With Calmodulin-Binding Peptide From Smooth Muscle Myosin Light Chain Kinase" . . . . . 100.00 148 100.00 100.00 4.91e-100 . . . . 26503 1 90 no PDB 2K0J . "Solution Structure Of Cam Complexed To Drp1p" . . . . . 100.00 148 99.32 100.00 3.32e-99 . . . . 26503 1 91 no PDB 2K61 . "Solution Structure Of Cam Complexed To Dapk Peptide" . . . . . 100.00 148 99.32 100.00 3.32e-99 . . . . 26503 1 92 no PDB 2KDU . "Structural Basis Of The Munc13-1CA2+-Calmodulin Interaction: A Novel 1-26 Calmodulin Binding Motif With A Bipartite Binding Mod" . . . . . 100.00 148 100.00 100.00 4.91e-100 . . . . 26503 1 93 no PDB 2KNE . "Calmodulin Wraps Around Its Binding Domain In The Plasma Membrane Ca2+ Pump Anchored By A Novel 18-1 Motif" . . . . . 100.00 148 100.00 100.00 4.91e-100 . . . . 26503 1 94 no PDB 2L53 . "Solution Nmr Structure Of Apo-Calmodulin In Complex With The Iq Motif Of Human Cardiac Sodium Channel Nav1.5" . . . . . 100.00 148 100.00 100.00 4.91e-100 . . . . 26503 1 95 no PDB 2L7L . "Solution Structure Of Ca2+CALMODULIN COMPLEXED WITH A PEPTIDE Representing The Calmodulin-Binding Domain Of Calmodulin Kinase I" . . . . . 100.00 148 100.00 100.00 4.91e-100 . . . . 26503 1 96 no PDB 2LGF . "Solution Structure Of Ca2+CALMODULIN COMPLEXED WITH A PEPTIDE Representing The Calmodulin-Binding Domain Of L-Selectin" . . . . . 98.65 146 100.00 100.00 1.07e-98 . . . . 26503 1 97 no PDB 2LL6 . "Solution Nmr Structure Of Cam Bound To Inos Cam Binding Domain Peptide" . . . . . 100.00 148 100.00 100.00 4.91e-100 . . . . 26503 1 98 no PDB 2LL7 . "Solution Nmr Structure Of Cam Bound To The Enos Cam Binding Domain Peptide" . . . . . 100.00 148 100.00 100.00 4.91e-100 . . . . 26503 1 99 no PDB 2LV6 . "The Complex Between Ca-calmodulin And Skeletal Muscle Myosin Light Chain Kinase From Combination Of Nmr And Aqueous And Contras" . . . . . 100.00 148 98.65 99.32 2.65e-98 . . . . 26503 1 100 no PDB 2M0J . "3d Structure Of Calmodulin And Calmodulin Binding Domain Of Olfactory Cyclic Nucleotide-gated Ion Channel Complex" . . . . . 100.00 148 100.00 100.00 4.91e-100 . . . . 26503 1 101 no PDB 2M0K . "3d Structure Of Calmodulin And Calmodulin Binding Domain Of Rat Olfactory Cyclic Nucleotide-gated Ion Channel" . . . . . 100.00 148 100.00 100.00 4.91e-100 . . . . 26503 1 102 no PDB 2M55 . "Nmr Structure Of The Complex Of An N-terminally Acetylated Alpha- Synuclein Peptide With Calmodulin" . . . . . 100.00 148 100.00 100.00 4.91e-100 . . . . 26503 1 103 no PDB 2MG5 . "Solution Structure Of Calmodulin Bound To The Target Peptide Of Endothelial Nitrogen Oxide Synthase Phosphorylated At Thr495" . . . . . 100.00 148 100.00 100.00 4.91e-100 . . . . 26503 1 104 no PDB 2MGU . "Structure Of The Complex Between Calmodulin And The Binding Domain Of Hiv-1 Matrix Protein" . . . . . 100.00 148 100.00 100.00 4.91e-100 . . . . 26503 1 105 no PDB 2O5G . "Calmodulin-Smooth Muscle Light Chain Kinase Peptide Complex" . . . . . 100.00 148 100.00 100.00 4.91e-100 . . . . 26503 1 106 no PDB 2O60 . "Calmodulin Bound To Peptide From Neuronal Nitric Oxide Synthase" . . . . . 100.00 148 100.00 100.00 4.91e-100 . . . . 26503 1 107 no PDB 2R28 . "The Complex Structure Of Calmodulin Bound To A Calcineurin Peptide" . . . . . 100.00 149 100.00 100.00 5.13e-100 . . . . 26503 1 108 no PDB 2V01 . "Recombinant Vertebrate Calmodulin Complexed With Pb" . . . . . 100.00 149 100.00 100.00 5.13e-100 . . . . 26503 1 109 no PDB 2V02 . "Recombinant Vertebrate Calmodulin Complexed With Ba" . . . . . 100.00 149 100.00 100.00 5.13e-100 . . . . 26503 1 110 no PDB 2VAS . "Myosin Vi (Md-Insert2-Cam, Delta-Insert1) Post-Rigor State" . . . . . 100.00 149 97.97 99.32 5.16e-98 . . . . 26503 1 111 no PDB 2VAY . "Calmodulin Complexed With Cav1.1 Iq Peptide" . . . . . 98.65 146 100.00 100.00 1.07e-98 . . . . 26503 1 112 no PDB 2VB6 . "Myosin Vi (Md-Insert2-Cam, Delta Insert1) Post-Rigor State ( Crystal Form 2)" . . . . . 100.00 149 97.30 99.32 1.25e-97 . . . . 26503 1 113 no PDB 2W73 . "High-Resolution Structure Of The Complex Between Calmodulin And A Peptide From Calcineurin A" . . . . . 100.00 149 100.00 100.00 5.13e-100 . . . . 26503 1 114 no PDB 2WEL . "Crystal Structure Of Su6656-Bound CalciumCALMODULIN- Dependent Protein Kinase Ii Delta In Complex With Calmodulin" . . . . . 100.00 150 100.00 100.00 4.76e-100 . . . . 26503 1 115 no PDB 2X0G . "X-ray Structure Of A Dap-kinase Calmodulin Complex" . . . . . 100.00 148 100.00 100.00 4.91e-100 . . . . 26503 1 116 no PDB 2X51 . "M6 Delta Insert1" . . . . . 100.00 149 97.97 99.32 5.16e-98 . . . . 26503 1 117 no PDB 2Y4V . "Crystal Structure Of Human Calmodulin In Complex With A Dap Kinase-1 Mutant (W305y) Peptide" . . . . . 100.00 149 100.00 100.00 5.13e-100 . . . . 26503 1 118 no PDB 2YGG . "Complex Of Cambr And Cam" . . . . . 100.00 150 100.00 100.00 5.60e-100 . . . . 26503 1 119 no PDB 3BXK . "Crystal Structure Of The PQ-Type Calcium Channel (Cav2.1) Iq Domain And Ca2+calmodulin Complex" . . . . . 100.00 148 100.00 100.00 4.91e-100 . . . . 26503 1 120 no PDB 3BXL . "Crystal Structure Of The R-Type Calcium Channel (Cav2.3) Iq Domain And Ca2+calmodulin Complex" . . . . . 100.00 148 100.00 100.00 4.91e-100 . . . . 26503 1 121 no PDB 3BYA . "Structure Of A Calmodulin Complex" . . . . . 100.00 148 100.00 100.00 4.91e-100 . . . . 26503 1 122 no PDB 3CLN . "Structure Of Calmodulin Refined At 2.2 Angstroms Resolution" . . . . . 100.00 148 99.32 100.00 2.01e-99 . . . . 26503 1 123 no PDB 3DVE . "Crystal Structure Of Ca2+CAM-Cav2.2 Iq Domain Complex" . . . . . 100.00 148 100.00 100.00 4.91e-100 . . . . 26503 1 124 no PDB 3DVJ . "Crystal Structure Of Ca2+CAM-Cav2.2 Iq Domain (Without Cloning Artifact, Hm To Tv) Complex" . . . . . 100.00 148 100.00 100.00 4.91e-100 . . . . 26503 1 125 no PDB 3DVK . "Crystal Structure Of Ca2+CAM-Cav2.3 Iq Domain Complex" . . . . . 100.00 148 100.00 100.00 4.91e-100 . . . . 26503 1 126 no PDB 3DVM . "Crystal Structure Of Ca2+CAM-Cav2.1 Iq Domain Complex" . . . . . 100.00 148 100.00 100.00 4.91e-100 . . . . 26503 1 127 no PDB 3EK4 . "Calcium-saturated Gcamp2 Monomer" . . . . . 99.32 449 100.00 100.00 9.40e-96 . . . . 26503 1 128 no PDB 3EK7 . "Calcium-Saturated Gcamp2 Dimer" . . . . . 99.32 449 100.00 100.00 9.40e-96 . . . . 26503 1 129 no PDB 3EK8 . "Calcium-Saturated Gcamp2 T116vG87R MUTANT MONOMER" . . . . . 99.32 449 100.00 100.00 1.33e-95 . . . . 26503 1 130 no PDB 3EKH . "Calcium-Saturated Gcamp2 T116vK378W MUTANT MONOMER" . . . . . 99.32 449 99.32 99.32 9.09e-95 . . . . 26503 1 131 no PDB 3EVU . "Crystal Structure Of Calcium Bound Dimeric Gcamp2, (#1)" . . . . . 99.32 449 100.00 100.00 9.40e-96 . . . . 26503 1 132 no PDB 3EVV . "Crystal Structure Of Calcium Bound Dimeric Gcamp2 (#2)" . . . . . 99.32 449 100.00 100.00 9.40e-96 . . . . 26503 1 133 no PDB 3EWT . "Crystal Structure Of Calmodulin Complexed With A Peptide" . . . . . 100.00 154 100.00 100.00 2.06e-100 . . . . 26503 1 134 no PDB 3EWV . "Crystal Structure Of Calmodulin Complexed With A Peptide" . . . . . 100.00 154 100.00 100.00 2.06e-100 . . . . 26503 1 135 no PDB 3G43 . "Crystal Structure Of The Calmodulin-Bound Cav1.2 C-Terminal Regulatory Domain Dimer" . . . . . 100.00 148 100.00 100.00 4.91e-100 . . . . 26503 1 136 no PDB 3GN4 . "Myosin Lever Arm" . . . . . 100.00 149 97.97 99.32 5.16e-98 . . . . 26503 1 137 no PDB 3GOF . "Calmodulin Bound To Peptide From Macrophage Nitric Oxide Synthase" . . . . . 100.00 148 100.00 100.00 4.91e-100 . . . . 26503 1 138 no PDB 3HR4 . "Human Inos Reductase And Calmodulin Complex" . . . . . 100.00 149 100.00 100.00 5.13e-100 . . . . 26503 1 139 no PDB 3IF7 . "Structure Of Calmodulin Complexed With Its First Endogenous Inhibitor, Sphingosylphosphorylcholine" . . . . . 100.00 148 100.00 100.00 4.91e-100 . . . . 26503 1 140 no PDB 3J41 . "Pseudo-atomic Model Of The Aquaporin-0/calmodulin Complex Derived From Electron Microscopy" . . . . . 100.00 149 100.00 100.00 5.13e-100 . . . . 26503 1 141 no PDB 3L9I . "Myosin Vi Nucleotide-Free (Mdinsert2) L310g Mutant Crystal Structure" . . . . . 100.00 149 97.97 99.32 5.16e-98 . . . . 26503 1 142 no PDB 3O77 . "The Structure Of Ca2+ Sensor (Case-16)" . . . . . 99.32 415 100.00 100.00 4.22e-96 . . . . 26503 1 143 no PDB 3O78 . "The Structure Of Ca2+ Sensor (Case-12)" . . . . . 99.32 415 100.00 100.00 4.65e-96 . . . . 26503 1 144 no PDB 3OXQ . "Crystal Structure Of Ca2+CAM-Cav1.2 Pre-IqIQ DOMAIN COMPLEX" . . . . . 100.00 149 100.00 100.00 5.13e-100 . . . . 26503 1 145 no PDB 3SG2 . "Crystal Structure Of Gcamp2-t116v,d381y" . . . . . 99.32 449 99.32 99.32 1.34e-94 . . . . 26503 1 146 no PDB 3SG3 . "Crystal Structure Of Gcamp3-d380y" . . . . . 99.32 449 98.64 99.32 1.70e-93 . . . . 26503 1 147 no PDB 3SG4 . "Crystal Structure Of Gcamp3-d380y, Lp(linker 2)" . . . . . 100.00 448 97.97 98.65 1.17e-93 . . . . 26503 1 148 no PDB 3SG5 . "Crystal Structure Of Dimeric Gcamp3-d380y, Qp(linker 1), Lp(linker 2)" . . . . . 100.00 448 97.97 98.65 9.63e-94 . . . . 26503 1 149 no PDB 3SG6 . "Crystal Structure Of Dimeric Gcamp2-lia(linker 1)" . . . . . 99.32 450 100.00 100.00 1.20e-95 . . . . 26503 1 150 no PDB 3SG7 . "Crystal Structure Of Gcamp3-kf(linker 1)" . . . . . 99.32 448 99.32 100.00 8.02e-95 . . . . 26503 1 151 no PDB 3SJQ . "Crystal Structure Of A Small Conductance Potassium Channel Splice Variant Complexed With Calcium-Calmodulin" . . . . . 100.00 149 100.00 100.00 5.13e-100 . . . . 26503 1 152 no PDB 3SUI . "Crystal Structure Of Ca2+-Calmodulin In Complex With A Trpv1 C- Terminal Peptide" . . . . . 100.00 149 100.00 100.00 5.13e-100 . . . . 26503 1 153 no PDB 3U0K . "Crystal Structure Of The Genetically Encoded Calcium Indicator Rcamp" . . . . . 99.32 440 98.64 99.32 2.87e-94 . . . . 26503 1 154 no PDB 3WFN . "Crystal Structure Of Nav1.6 Iq Motif In Complex With Apo-cam" . . . . . 100.00 182 100.00 100.00 5.91e-100 . . . . 26503 1 155 no PDB 4ANJ . "Myosin Vi (Mdinsert2-Gfp Fusion) Pre-Powerstroke State (Mg.Adp.Alf4)" . . . . . 100.00 149 97.97 99.32 5.16e-98 . . . . 26503 1 156 no PDB 4BW7 . "Calmodulin In Complex With Strontium" . . . . . 100.00 149 100.00 100.00 5.13e-100 . . . . 26503 1 157 no PDB 4BW8 . "Calmodulin With Small Bend In Central Helix" . . . . . 100.00 149 100.00 100.00 5.13e-100 . . . . 26503 1 158 no PDB 4BYF . "Crystal Structure Of Human Myosin 1c In Complex With Calmodulin In The Pre-power Stroke State" . . . . . 100.00 149 100.00 100.00 5.13e-100 . . . . 26503 1 159 no PDB 4CLN . "Structure Of A Recombinant Calmodulin From Drosophila Melanogaster Refined At 2.2-Angstroms Resolution" . . . . . 100.00 148 97.97 99.32 6.77e-98 . . . . 26503 1 160 no PDB 4DBP . "Myosin Vi Nucleotide-free (mdinsert2) D179y Crystal Structure" . . . . . 100.00 149 97.97 99.32 5.16e-98 . . . . 26503 1 161 no PDB 4DBQ . "Myosin Vi D179y (md-insert2-cam, Delta-insert1) Post-rigor State" . . . . . 100.00 149 97.97 99.32 5.16e-98 . . . . 26503 1 162 no PDB 4DCK . "Crystal Structure Of The C-Terminus Of Voltage-Gated Sodium Channel In Complex With Fgf13 And Cam" . . . . . 100.00 149 100.00 100.00 5.13e-100 . . . . 26503 1 163 no PDB 4DJC . "1.35 A Crystal Structure Of The Nav1.5 Diii-Iv-CaCAM COMPLEX" . . . . . 100.00 152 100.00 100.00 3.59e-100 . . . . 26503 1 164 no PDB 4E50 . "Calmodulin And Ng Peptide Complex" . . . . . 100.00 185 100.00 100.00 2.67e-100 . . . . 26503 1 165 no PDB 4EHQ . "Crystal Structure Of Calmodulin Binding Domain Of Orai1 In Complex With Ca2+CALMODULIN DISPLAYS A UNIQUE BINDING MODE" . . . . . 100.00 148 100.00 100.00 4.91e-100 . . . . 26503 1 166 no PDB 4G27 . "Calcium-Calmodulin Complexed With The Calmodulin Binding Domain From A Small Conductance Potassium Channel Splice Variant And P" . . . . . 100.00 149 100.00 100.00 5.13e-100 . . . . 26503 1 167 no PDB 4G28 . "Calcium-Calmodulin Complexed With The Calmodulin Binding Domain From A Small Conductance Potassium Channel Splice Variant And E" . . . . . 100.00 149 100.00 100.00 5.13e-100 . . . . 26503 1 168 no PDB 4HEX . "A Novel Conformation Of Calmodulin" . . . . . 100.00 156 100.00 100.00 2.20e-100 . . . . 26503 1 169 no PDB 4IK1 . "High Resolution Structure Of Gcampj At Ph 8.5" . . . . . 99.32 448 98.64 99.32 1.47e-93 . . . . 26503 1 170 no PDB 4IK3 . "High Resolution Structure Of Gcamp3 At Ph 8.5" . . . . . 99.32 448 99.32 100.00 9.53e-95 . . . . 26503 1 171 no PDB 4IK4 . "High Resolution Structure Of Gcamp3 At Ph 5.0" . . . . . 99.32 448 99.32 100.00 9.53e-95 . . . . 26503 1 172 no PDB 4IK5 . "High Resolution Structure Of Delta-rest-gcamp3" . . . . . 99.32 414 99.32 100.00 3.73e-95 . . . . 26503 1 173 no PDB 4IK8 . "High Resolution Structure Of Gcamp3 Dimer Form 1 At Ph 7.5" . . . . . 99.32 448 99.32 100.00 9.53e-95 . . . . 26503 1 174 no PDB 4IK9 . "High Resolution Structure Of Gcamp3 Dimer Form 2 At Ph 7.5" . . . . . 99.32 448 99.32 100.00 9.53e-95 . . . . 26503 1 175 no PDB 4J9Y . "Calcium-calmodulin Complexed With The Calmodulin Binding Domain From A Small Conductance Potassium Channel Splice Variant" . . . . . 100.00 149 100.00 100.00 5.13e-100 . . . . 26503 1 176 no PDB 4J9Z . "Calcium-calmodulin Complexed With The Calmodulin Binding Domain From A Small Conductance Potassium Channel Splice Variant And N" . . . . . 100.00 149 100.00 100.00 5.13e-100 . . . . 26503 1 177 no PDB 4JPZ . "Voltage-gated Sodium Channel 1.2 C-terminal Domain In Complex With Fgf13u And Ca2+/calmodulin" . . . . . 100.00 149 100.00 100.00 5.13e-100 . . . . 26503 1 178 no PDB 4JQ0 . "Voltage-gated Sodium Channel 1.5 C-terminal Domain In Complex With Fgf12b And Ca2+/calmodulin" . . . . . 100.00 149 100.00 100.00 5.13e-100 . . . . 26503 1 179 no PDB 4L79 . "Crystal Structure Of Nucleotide-free Myosin 1b Residues 1-728 With Bound Calmodulin" . . . . . 100.00 149 100.00 100.00 5.13e-100 . . . . 26503 1 180 no PDB 4LZX . "Complex Of Iqcg And Ca2+-free Cam" . . . . . 100.00 148 100.00 100.00 4.91e-100 . . . . 26503 1 181 no PDB 4M1L . "Complex Of Iqcg And Ca2+-bound Cam" . . . . . 100.00 148 100.00 100.00 4.91e-100 . . . . 26503 1 182 no PDB 4PJJ . "Myosin Vi (md-insert2-cam, Delta-insert1) Post-rigor State - Long Soaking With Po4" . . . . . 100.00 149 97.30 99.32 1.25e-97 . . . . 26503 1 183 no PDB 4Q5U . "Structure Of Calmodulin Bound To Its Recognition Site From Calcineurin" . . . . . 100.00 149 100.00 100.00 5.13e-100 . . . . 26503 1 184 no PDB 4QNH . "Calcium-calmodulin (t79d) Complexed With The Calmodulin Binding Domain From A Small Conductance Potassium Channel Sk2-a" . . . . . 100.00 149 99.32 99.32 6.26e-99 . . . . 26503 1 185 no PDB 4R8G . "Crystal Structure Of Myosin-1c Tail In Complex With Calmodulin" . . . . . 100.00 148 100.00 100.00 4.91e-100 . . . . 26503 1 186 no PDB 4UMO . "Crystal Structure Of The Kv7.1 Proximal C-terminal Domain In Complex With Calmodulin" . . . . . 100.00 149 100.00 100.00 5.13e-100 . . . . 26503 1 187 no PDB 4UPU . "Crystal Structure Of Ip3 3-k Calmodulin Binding Region In Complex With Calmodulin" . . . . . 100.00 148 100.00 100.00 4.91e-100 . . . . 26503 1 188 no PDB 4V0C . "Crystal Structure Of The Kv7.1 Proximal C-terminal Domain In Complex With Calmodulin" . . . . . 100.00 149 100.00 100.00 5.13e-100 . . . . 26503 1 189 no DBJ BAA08302 . "calmodulin [Homo sapiens]" . . . . . 100.00 149 100.00 100.00 5.13e-100 . . . . 26503 1 190 no DBJ BAA11896 . "calmodulin [Anas platyrhynchos]" . . . . . 100.00 149 100.00 100.00 5.13e-100 . . . . 26503 1 191 no DBJ BAA19786 . "calmodulin [Branchiostoma lanceolatum]" . . . . . 100.00 149 97.97 99.32 5.16e-98 . . . . 26503 1 192 no DBJ BAA19787 . "calmodulin [Branchiostoma floridae]" . . . . . 100.00 149 97.97 99.32 5.16e-98 . . . . 26503 1 193 no DBJ BAA19788 . "calmodulin [Halocynthia roretzi]" . . . . . 100.00 149 97.97 99.32 5.16e-98 . . . . 26503 1 194 no EMBL CAA10601 . "calmodulin [Caenorhabditis elegans]" . . . . . 100.00 149 97.97 98.65 1.28e-97 . . . . 26503 1 195 no EMBL CAA32050 . "calmodulin [Rattus norvegicus]" . . . . . 100.00 149 100.00 100.00 5.13e-100 . . . . 26503 1 196 no EMBL CAA32062 . "calmodulin II [Rattus norvegicus]" . . . . . 100.00 149 100.00 100.00 5.13e-100 . . . . 26503 1 197 no EMBL CAA32119 . "calmodulin [Rattus norvegicus]" . . . . . 100.00 149 100.00 100.00 5.13e-100 . . . . 26503 1 198 no EMBL CAA32120 . "calmodulin [Rattus norvegicus]" . . . . . 100.00 149 100.00 100.00 5.13e-100 . . . . 26503 1 199 no GB AAA35635 . "calmodulin [Homo sapiens]" . . . . . 100.00 149 100.00 100.00 5.13e-100 . . . . 26503 1 200 no GB AAA35641 . "calmodulin [Homo sapiens]" . . . . . 100.00 149 100.00 100.00 5.13e-100 . . . . 26503 1 201 no GB AAA37365 . "calmodulin synthesis [Mus musculus]" . . . . . 100.00 149 100.00 100.00 5.13e-100 . . . . 26503 1 202 no GB AAA40862 . "calmodulin [Rattus norvegicus]" . . . . . 100.00 149 100.00 100.00 5.13e-100 . . . . 26503 1 203 no GB AAA40863 . "calmodulin [Rattus norvegicus]" . . . . . 100.00 149 100.00 100.00 5.13e-100 . . . . 26503 1 204 no PIR JC1305 . "calmodulin - Japanese medaka" . . . . . 100.00 149 100.00 100.00 5.13e-100 . . . . 26503 1 205 no PIR MCON . "calmodulin - salmon" . . . . . 100.00 148 100.00 100.00 4.91e-100 . . . . 26503 1 206 no PRF 0409298A . "troponin C-like protein" . . . . . 100.00 148 97.30 100.00 2.53e-98 . . . . 26503 1 207 no PRF 0608335A . calmodulin . . . . . 100.00 148 97.97 99.32 3.48e-97 . . . . 26503 1 208 no REF NP_001008160 . "calmodulin [Xenopus (Silurana) tropicalis]" . . . . . 100.00 149 100.00 100.00 5.13e-100 . . . . 26503 1 209 no REF NP_001009759 . "calmodulin [Ovis aries]" . . . . . 100.00 149 100.00 100.00 5.13e-100 . . . . 26503 1 210 no REF NP_001027633 . "calmodulin [Ciona intestinalis]" . . . . . 100.00 149 97.30 98.65 3.34e-97 . . . . 26503 1 211 no REF NP_001039714 . "calmodulin [Bos taurus]" . . . . . 100.00 149 100.00 100.00 5.13e-100 . . . . 26503 1 212 no REF NP_001040234 . "calmodulin [Bombyx mori]" . . . . . 100.00 149 97.97 99.32 5.16e-98 . . . . 26503 1 213 no SP O02367 . "RecName: Full=Calmodulin; Short=CaM; AltName: Full=Ci-CaM" . . . . . 100.00 149 97.30 98.65 3.34e-97 . . . . 26503 1 214 no SP O16305 . "RecName: Full=Calmodulin; Short=CaM" . . . . . 100.00 149 97.97 98.65 1.28e-97 . . . . 26503 1 215 no SP O96081 . "RecName: Full=Calmodulin-B; Short=CaM B" . . . . . 100.00 149 97.30 98.65 3.76e-97 . . . . 26503 1 216 no SP P02594 . "RecName: Full=Calmodulin; Short=CaM" . . . . . 100.00 149 99.32 100.00 1.65e-99 . . . . 26503 1 217 no SP P05932 . "RecName: Full=Calmodulin-beta; Short=Cam B" . . . . . 93.24 138 97.10 99.28 5.25e-90 . . . . 26503 1 218 no TPG DAA13808 . "TPA: calmodulin 2-like [Bos taurus]" . . . . . 100.00 216 98.65 98.65 2.49e-98 . . . . 26503 1 219 no TPG DAA18029 . "TPA: calmodulin [Bos taurus]" . . . . . 100.00 149 98.65 99.32 7.54e-99 . . . . 26503 1 220 no TPG DAA19590 . "TPA: calmodulin 3 [Bos taurus]" . . . . . 100.00 149 100.00 100.00 5.13e-100 . . . . 26503 1 221 no TPG DAA24777 . "TPA: calmodulin 2-like [Bos taurus]" . . . . . 100.00 149 100.00 100.00 5.13e-100 . . . . 26503 1 222 no TPG DAA24988 . "TPA: calmodulin 2-like isoform 1 [Bos taurus]" . . . . . 100.00 149 100.00 100.00 5.13e-100 . . . . 26503 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 1 ALA . 26503 1 2 2 ASP . 26503 1 3 3 GLN . 26503 1 4 4 LEU . 26503 1 5 5 THR . 26503 1 6 6 GLU . 26503 1 7 7 GLU . 26503 1 8 8 GLN . 26503 1 9 9 ILE . 26503 1 10 10 ALA . 26503 1 11 11 GLU . 26503 1 12 12 PHE . 26503 1 13 13 LYS . 26503 1 14 14 GLU . 26503 1 15 15 ALA . 26503 1 16 16 PHE . 26503 1 17 17 SER . 26503 1 18 18 LEU . 26503 1 19 19 PHE . 26503 1 20 20 ASP . 26503 1 21 21 LYS . 26503 1 22 22 ASP . 26503 1 23 23 GLY . 26503 1 24 24 ASP . 26503 1 25 25 GLY . 26503 1 26 26 THR . 26503 1 27 27 ILE . 26503 1 28 28 THR . 26503 1 29 29 THR . 26503 1 30 30 LYS . 26503 1 31 31 GLU . 26503 1 32 32 LEU . 26503 1 33 33 GLY . 26503 1 34 34 THR . 26503 1 35 35 VAL . 26503 1 36 36 MET . 26503 1 37 37 ARG . 26503 1 38 38 SER . 26503 1 39 39 LEU . 26503 1 40 40 GLY . 26503 1 41 41 GLN . 26503 1 42 42 ASN . 26503 1 43 43 PRO . 26503 1 44 44 THR . 26503 1 45 45 GLU . 26503 1 46 46 ALA . 26503 1 47 47 GLU . 26503 1 48 48 LEU . 26503 1 49 49 GLN . 26503 1 50 50 ASP . 26503 1 51 51 MET . 26503 1 52 52 ILE . 26503 1 53 53 ASN . 26503 1 54 54 GLU . 26503 1 55 55 VAL . 26503 1 56 56 ASP . 26503 1 57 57 ALA . 26503 1 58 58 ASP . 26503 1 59 59 GLY . 26503 1 60 60 ASN . 26503 1 61 61 GLY . 26503 1 62 62 THR . 26503 1 63 63 ILE . 26503 1 64 64 ASP . 26503 1 65 65 PHE . 26503 1 66 66 PRO . 26503 1 67 67 GLU . 26503 1 68 68 PHE . 26503 1 69 69 LEU . 26503 1 70 70 THR . 26503 1 71 71 MET . 26503 1 72 72 MET . 26503 1 73 73 ALA . 26503 1 74 74 ARG . 26503 1 75 75 LYS . 26503 1 76 76 MET . 26503 1 77 77 LYS . 26503 1 78 78 ASP . 26503 1 79 79 THR . 26503 1 80 80 ASP . 26503 1 81 81 SER . 26503 1 82 82 GLU . 26503 1 83 83 GLU . 26503 1 84 84 GLU . 26503 1 85 85 ILE . 26503 1 86 86 ARG . 26503 1 87 87 GLU . 26503 1 88 88 ALA . 26503 1 89 89 PHE . 26503 1 90 90 ARG . 26503 1 91 91 VAL . 26503 1 92 92 PHE . 26503 1 93 93 ASP . 26503 1 94 94 LYS . 26503 1 95 95 ASP . 26503 1 96 96 GLY . 26503 1 97 97 ASN . 26503 1 98 98 GLY . 26503 1 99 99 TYR . 26503 1 100 100 ILE . 26503 1 101 101 SER . 26503 1 102 102 ALA . 26503 1 103 103 ALA . 26503 1 104 104 GLU . 26503 1 105 105 LEU . 26503 1 106 106 ARG . 26503 1 107 107 HIS . 26503 1 108 108 VAL . 26503 1 109 109 MET . 26503 1 110 110 THR . 26503 1 111 111 ASN . 26503 1 112 112 LEU . 26503 1 113 113 GLY . 26503 1 114 114 GLU . 26503 1 115 115 LYS . 26503 1 116 116 LEU . 26503 1 117 117 THR . 26503 1 118 118 ASP . 26503 1 119 119 GLU . 26503 1 120 120 GLU . 26503 1 121 121 VAL . 26503 1 122 122 ASP . 26503 1 123 123 GLU . 26503 1 124 124 MET . 26503 1 125 125 ILE . 26503 1 126 126 ARG . 26503 1 127 127 GLU . 26503 1 128 128 ALA . 26503 1 129 129 ASP . 26503 1 130 130 ILE . 26503 1 131 131 ASP . 26503 1 132 132 GLY . 26503 1 133 133 ASP . 26503 1 134 134 GLY . 26503 1 135 135 GLN . 26503 1 136 136 VAL . 26503 1 137 137 ASN . 26503 1 138 138 TYR . 26503 1 139 139 GLU . 26503 1 140 140 GLU . 26503 1 141 141 PHE . 26503 1 142 142 VAL . 26503 1 143 143 GLN . 26503 1 144 144 MET . 26503 1 145 145 MET . 26503 1 146 146 THR . 26503 1 147 147 ALA . 26503 1 148 148 LYS . 26503 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . ALA 1 1 26503 1 . ASP 2 2 26503 1 . GLN 3 3 26503 1 . LEU 4 4 26503 1 . THR 5 5 26503 1 . GLU 6 6 26503 1 . GLU 7 7 26503 1 . GLN 8 8 26503 1 . ILE 9 9 26503 1 . ALA 10 10 26503 1 . GLU 11 11 26503 1 . PHE 12 12 26503 1 . LYS 13 13 26503 1 . GLU 14 14 26503 1 . ALA 15 15 26503 1 . PHE 16 16 26503 1 . SER 17 17 26503 1 . LEU 18 18 26503 1 . PHE 19 19 26503 1 . ASP 20 20 26503 1 . LYS 21 21 26503 1 . ASP 22 22 26503 1 . GLY 23 23 26503 1 . ASP 24 24 26503 1 . GLY 25 25 26503 1 . THR 26 26 26503 1 . ILE 27 27 26503 1 . THR 28 28 26503 1 . THR 29 29 26503 1 . LYS 30 30 26503 1 . GLU 31 31 26503 1 . LEU 32 32 26503 1 . GLY 33 33 26503 1 . THR 34 34 26503 1 . VAL 35 35 26503 1 . MET 36 36 26503 1 . ARG 37 37 26503 1 . SER 38 38 26503 1 . LEU 39 39 26503 1 . GLY 40 40 26503 1 . GLN 41 41 26503 1 . ASN 42 42 26503 1 . PRO 43 43 26503 1 . THR 44 44 26503 1 . GLU 45 45 26503 1 . ALA 46 46 26503 1 . GLU 47 47 26503 1 . LEU 48 48 26503 1 . GLN 49 49 26503 1 . ASP 50 50 26503 1 . MET 51 51 26503 1 . ILE 52 52 26503 1 . ASN 53 53 26503 1 . GLU 54 54 26503 1 . VAL 55 55 26503 1 . ASP 56 56 26503 1 . ALA 57 57 26503 1 . ASP 58 58 26503 1 . GLY 59 59 26503 1 . ASN 60 60 26503 1 . GLY 61 61 26503 1 . THR 62 62 26503 1 . ILE 63 63 26503 1 . ASP 64 64 26503 1 . PHE 65 65 26503 1 . PRO 66 66 26503 1 . GLU 67 67 26503 1 . PHE 68 68 26503 1 . LEU 69 69 26503 1 . THR 70 70 26503 1 . MET 71 71 26503 1 . MET 72 72 26503 1 . ALA 73 73 26503 1 . ARG 74 74 26503 1 . LYS 75 75 26503 1 . MET 76 76 26503 1 . LYS 77 77 26503 1 . ASP 78 78 26503 1 . THR 79 79 26503 1 . ASP 80 80 26503 1 . SER 81 81 26503 1 . GLU 82 82 26503 1 . GLU 83 83 26503 1 . GLU 84 84 26503 1 . ILE 85 85 26503 1 . ARG 86 86 26503 1 . GLU 87 87 26503 1 . ALA 88 88 26503 1 . PHE 89 89 26503 1 . ARG 90 90 26503 1 . VAL 91 91 26503 1 . PHE 92 92 26503 1 . ASP 93 93 26503 1 . LYS 94 94 26503 1 . ASP 95 95 26503 1 . GLY 96 96 26503 1 . ASN 97 97 26503 1 . GLY 98 98 26503 1 . TYR 99 99 26503 1 . ILE 100 100 26503 1 . SER 101 101 26503 1 . ALA 102 102 26503 1 . ALA 103 103 26503 1 . GLU 104 104 26503 1 . LEU 105 105 26503 1 . ARG 106 106 26503 1 . HIS 107 107 26503 1 . VAL 108 108 26503 1 . MET 109 109 26503 1 . THR 110 110 26503 1 . ASN 111 111 26503 1 . LEU 112 112 26503 1 . GLY 113 113 26503 1 . GLU 114 114 26503 1 . LYS 115 115 26503 1 . LEU 116 116 26503 1 . THR 117 117 26503 1 . ASP 118 118 26503 1 . GLU 119 119 26503 1 . GLU 120 120 26503 1 . VAL 121 121 26503 1 . ASP 122 122 26503 1 . GLU 123 123 26503 1 . MET 124 124 26503 1 . ILE 125 125 26503 1 . ARG 126 126 26503 1 . GLU 127 127 26503 1 . ALA 128 128 26503 1 . ASP 129 129 26503 1 . ILE 130 130 26503 1 . ASP 131 131 26503 1 . GLY 132 132 26503 1 . ASP 133 133 26503 1 . GLY 134 134 26503 1 . GLN 135 135 26503 1 . VAL 136 136 26503 1 . ASN 137 137 26503 1 . TYR 138 138 26503 1 . GLU 139 139 26503 1 . GLU 140 140 26503 1 . PHE 141 141 26503 1 . VAL 142 142 26503 1 . GLN 143 143 26503 1 . MET 144 144 26503 1 . MET 145 145 26503 1 . THR 146 146 26503 1 . ALA 147 147 26503 1 . LYS 148 148 26503 1 stop_ save_ save_entity_CA _Entity.Sf_category entity _Entity.Sf_framecode entity_CA _Entity.Entry_ID 26503 _Entity.ID 2 _Entity.BMRB_code CA _Entity.Name 'CALCIUM ION' _Entity.Type non-polymer _Entity.Polymer_common_type . _Entity.Polymer_type . _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code . _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID CA _Entity.Nonpolymer_comp_label $chem_comp_CA _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components 1 _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID 2 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 40.078 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'CALCIUM ION' BMRB 26503 2 stop_ loop_ _Entity_systematic_name.Name _Entity_systematic_name.Naming_system _Entity_systematic_name.Entry_ID _Entity_systematic_name.Entity_ID 'CALCIUM ION' BMRB 26503 2 CA 'Three letter code' 26503 2 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 1 CA $chem_comp_CA 26503 2 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 26503 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Subvariant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $Calmodulin . 9031 organism . 'Gallus gallus' Chicken . . Eukaryota Metazoa Gallus gallus . . . . . . . . . . . . . . . . . . . . . 26503 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source _Entity_experimental_src_list.Entry_ID 26503 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $Calmodulin . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . BL21(DE3) . . . . . . 26503 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_CA _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_CA _Chem_comp.Entry_ID 26503 _Chem_comp.ID CA _Chem_comp.Provenance PDB _Chem_comp.Name 'CALCIUM ION' _Chem_comp.Type NON-POLYMER _Chem_comp.BMRB_code CA _Chem_comp.PDB_code CA _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 2012-11-20 _Chem_comp.Modified_date 2012-11-20 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code CA _Chem_comp.Number_atoms_all 1 _Chem_comp.Number_atoms_nh 1 _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code InChI=1S/Ca/q+2 _Chem_comp.Mon_nstd_flag . _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID . _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms . _Chem_comp.Formal_charge 2 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic no _Chem_comp.Formula Ca _Chem_comp.Formula_weight 40.078 _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag no _Chem_comp.Ideal_coordinates_details . _Chem_comp.Ideal_coordinates_missing_flag no _Chem_comp.Model_coordinates_db_code . _Chem_comp.Processing_site RCSB _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details . _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_descriptor.Descriptor _Chem_comp_descriptor.Type _Chem_comp_descriptor.Program _Chem_comp_descriptor.Program_version _Chem_comp_descriptor.Entry_ID _Chem_comp_descriptor.Comp_ID BHPQYMZQTOCNFJ-UHFFFAOYSA-N InChIKey InChI 1.03 26503 CA [Ca++] SMILES CACTVS 3.341 26503 CA [Ca++] SMILES_CANONICAL CACTVS 3.341 26503 CA [Ca+2] SMILES ACDLabs 10.04 26503 CA [Ca+2] SMILES 'OpenEye OEToolkits' 1.5.0 26503 CA [Ca+2] SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 26503 CA InChI=1S/Ca/q+2 InChI InChI 1.03 26503 CA stop_ loop_ _Chem_comp_identifier.Identifier _Chem_comp_identifier.Type _Chem_comp_identifier.Program _Chem_comp_identifier.Program_version _Chem_comp_identifier.Entry_ID _Chem_comp_identifier.Comp_ID calcium 'SYSTEMATIC NAME' ACDLabs 10.04 26503 CA 'calcium(+2) cation' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 26503 CA stop_ loop_ _Chem_comp_atom.Atom_ID _Chem_comp_atom.BMRB_code _Chem_comp_atom.PDB_atom_ID _Chem_comp_atom.Alt_atom_ID _Chem_comp_atom.Auth_atom_ID _Chem_comp_atom.Type_symbol _Chem_comp_atom.Isotope_number _Chem_comp_atom.Chirality _Chem_comp_atom.Stereo_config _Chem_comp_atom.Charge _Chem_comp_atom.Partial_charge _Chem_comp_atom.Oxidation_number _Chem_comp_atom.Unpaired_electron_number _Chem_comp_atom.Align _Chem_comp_atom.Aromatic_flag _Chem_comp_atom.Leaving_atom_flag _Chem_comp_atom.Substruct_code _Chem_comp_atom.Ionizable _Chem_comp_atom.Drawing_2D_coord_x _Chem_comp_atom.Drawing_2D_coord_y _Chem_comp_atom.Model_Cartn_x _Chem_comp_atom.Model_Cartn_x_esd _Chem_comp_atom.Model_Cartn_y _Chem_comp_atom.Model_Cartn_y_esd _Chem_comp_atom.Model_Cartn_z _Chem_comp_atom.Model_Cartn_z_esd _Chem_comp_atom.Model_Cartn_x_ideal _Chem_comp_atom.Model_Cartn_y_ideal _Chem_comp_atom.Model_Cartn_z_ideal _Chem_comp_atom.PDBX_ordinal _Chem_comp_atom.Details _Chem_comp_atom.Entry_ID _Chem_comp_atom.Comp_ID CA CA CA CA . CA . . N 2 . . . 0 no no . . . . 0.000 . 0.000 . 0.000 . 0.000 0.000 0.000 1 . 26503 CA stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 26503 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 Calmodulin '[U-100% 15N; U-100% 2H; U-67% 13C-F CD2, CDZ, Y CD2; NA-F HD2, Y HD2]' . . 1 $Calmodulin . . 1 . . mM . . . . 26503 1 2 MES 'natural abundance' . . . . . . 10 . . mM . . . . 26503 1 3 CaCl2 'natural abundance' . . . . . . 5 . . mM . . . . 26503 1 4 azide 'natural abundance' . . . . . . 0.02 . . % . . . . 26503 1 5 KCl 'natural abundance' . . . . . . 50 . . mM . . . . 26503 1 6 D2O 'natural abundance' . . . . . . 100 . . % . . . . 26503 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 26503 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 Calmodulin '[U-100% 13C]' . . 1 $Calmodulin . . 1 . . mM . . . . 26503 2 2 MES 'natural abundance' . . . . . . 10 . . mM . . . . 26503 2 3 CaCl2 'natural abundance' . . . . . . 5 . . mM . . . . 26503 2 4 azide 'natural abundance' . . . . . . 0.02 . . % . . . . 26503 2 5 KCl 'natural abundance' . . . . . . 50 . . mM . . . . 26503 2 6 D2O 'natural abundance' . . . . . . 100 . . % . . . . 26503 2 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 26503 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID temperature 308 . K 26503 1 pH 6.5 . pH 26503 1 pressure 1 . atm 26503 1 stop_ save_ ############################ # Computer software used # ############################ save_na _Software.Sf_category software _Software.Sf_framecode na _Software.Entry_ID 26503 _Software.ID 1 _Software.Name na _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID na . . 26503 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID na 26503 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 26503 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'Avance III' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 26503 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'Avance III' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_3 _NMR_spectrometer.Entry_ID 26503 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'Avance III' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 750 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 26503 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker 'Avance III' . 500 . . . 26503 1 2 spectrometer_2 Bruker 'Avance III' . 600 . . . 26503 1 3 spectrometer_3 Bruker 'Avance III' . 750 . . . 26503 1 stop_ save_ ############################# # NMR applied experiments # ############################# save_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list _Experiment_list.Entry_ID 26503 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '13C HSQC 1' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 26503 1 2 '13C HSQC 2' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 26503 1 stop_ save_ ######################################## # Heteronuclear T1 relaxation values # ######################################## save_heteronuclear_T1_list_1 _Heteronucl_T1_list.Sf_category heteronucl_T1_relaxation _Heteronucl_T1_list.Sf_framecode heteronuclear_T1_list_1 _Heteronucl_T1_list.Entry_ID 26503 _Heteronucl_T1_list.ID 1 _Heteronucl_T1_list.Sample_condition_list_ID 1 _Heteronucl_T1_list.Sample_condition_list_label $sample_conditions_1 _Heteronucl_T1_list.Spectrometer_frequency_1H 500 _Heteronucl_T1_list.T1_coherence_type Sz _Heteronucl_T1_list.T1_val_units s-1 _Heteronucl_T1_list.Details . _Heteronucl_T1_list.Text_data_format . _Heteronucl_T1_list.Text_data . loop_ _Heteronucl_T1_experiment.Experiment_ID _Heteronucl_T1_experiment.Experiment_name _Heteronucl_T1_experiment.Sample_ID _Heteronucl_T1_experiment.Sample_label _Heteronucl_T1_experiment.Sample_state _Heteronucl_T1_experiment.Entry_ID _Heteronucl_T1_experiment.Heteronucl_T1_list_ID 1 '13C HSQC 1' 1 $sample_1 . 26503 1 stop_ loop_ _T1.ID _T1.Assembly_atom_ID _T1.Entity_assembly_ID _T1.Entity_ID _T1.Comp_index_ID _T1.Seq_ID _T1.Comp_ID _T1.Atom_ID _T1.Atom_type _T1.Atom_isotope_number _T1.Val _T1.Val_err _T1.Resonance_ID _T1.Auth_entity_assembly_ID _T1.Auth_seq_ID _T1.Auth_comp_ID _T1.Auth_atom_ID _T1.Entry_ID _T1.Heteronucl_T1_list_ID 1 . 1 1 12 12 PHE CD2 C 13 3.004 0.013 . . . . . 26503 1 2 . 1 1 19 19 PHE CD2 C 13 3.104 0.002 . . . . . 26503 1 3 . 1 1 65 65 PHE CD2 C 13 2.193 0.014 . . . . . 26503 1 4 . 1 1 68 68 PHE CD2 C 13 1.876 0.064 . . . . . 26503 1 5 . 1 1 89 89 PHE CD2 C 13 2.158 0.031 . . . . . 26503 1 6 . 1 1 92 92 PHE CD2 C 13 2.264 0.021 . . . . . 26503 1 7 . 1 1 99 99 TYR CD2 C 13 3.159 0.011 . . . . . 26503 1 8 . 1 1 138 138 TYR CD2 C 13 2.244 0.032 . . . . . 26503 1 9 . 1 1 141 141 PHE CD2 C 13 2.065 0.002 . . . . . 26503 1 stop_ save_ save_heteronuclear_T1_list_2 _Heteronucl_T1_list.Sf_category heteronucl_T1_relaxation _Heteronucl_T1_list.Sf_framecode heteronuclear_T1_list_2 _Heteronucl_T1_list.Entry_ID 26503 _Heteronucl_T1_list.ID 2 _Heteronucl_T1_list.Sample_condition_list_ID 1 _Heteronucl_T1_list.Sample_condition_list_label $sample_conditions_1 _Heteronucl_T1_list.Spectrometer_frequency_1H 500 _Heteronucl_T1_list.T1_coherence_type Sz _Heteronucl_T1_list.T1_val_units s-1 _Heteronucl_T1_list.Details . _Heteronucl_T1_list.Text_data_format . _Heteronucl_T1_list.Text_data . loop_ _Heteronucl_T1_experiment.Experiment_ID _Heteronucl_T1_experiment.Experiment_name _Heteronucl_T1_experiment.Sample_ID _Heteronucl_T1_experiment.Sample_label _Heteronucl_T1_experiment.Sample_state _Heteronucl_T1_experiment.Entry_ID _Heteronucl_T1_experiment.Heteronucl_T1_list_ID 2 '13C HSQC 2' 2 $sample_2 . 26503 2 stop_ loop_ _T1.ID _T1.Assembly_atom_ID _T1.Entity_assembly_ID _T1.Entity_ID _T1.Comp_index_ID _T1.Seq_ID _T1.Comp_ID _T1.Atom_ID _T1.Atom_type _T1.Atom_isotope_number _T1.Val _T1.Val_err _T1.Resonance_ID _T1.Auth_entity_assembly_ID _T1.Auth_seq_ID _T1.Auth_comp_ID _T1.Auth_atom_ID _T1.Entry_ID _T1.Heteronucl_T1_list_ID 1 . 1 1 12 12 PHE CD2 C 13 3.046 0.051 . . . . . 26503 2 2 . 1 1 19 19 PHE CD2 C 13 3.144 0.017 . . . . . 26503 2 3 . 1 1 65 65 PHE CD2 C 13 2.096 0.101 . . . . . 26503 2 4 . 1 1 68 68 PHE CD2 C 13 1.819 0.037 . . . . . 26503 2 5 . 1 1 89 89 PHE CD2 C 13 1.754 0.026 . . . . . 26503 2 6 . 1 1 92 92 PHE CD2 C 13 3.195 0.021 . . . . . 26503 2 7 . 1 1 99 99 TYR CD2 C 13 2.094 0.094 . . . . . 26503 2 8 . 1 1 138 138 TYR CD2 C 13 2.242 0.079 . . . . . 26503 2 9 . 1 1 141 141 PHE CD2 C 13 1.700 0.041 . . . . . 26503 2 stop_ save_ save_heteronuclear_T1_list_3 _Heteronucl_T1_list.Sf_category heteronucl_T1_relaxation _Heteronucl_T1_list.Sf_framecode heteronuclear_T1_list_3 _Heteronucl_T1_list.Entry_ID 26503 _Heteronucl_T1_list.ID 3 _Heteronucl_T1_list.Sample_condition_list_ID 1 _Heteronucl_T1_list.Sample_condition_list_label $sample_conditions_1 _Heteronucl_T1_list.Spectrometer_frequency_1H 600 _Heteronucl_T1_list.T1_coherence_type Sz _Heteronucl_T1_list.T1_val_units s-1 _Heteronucl_T1_list.Details . _Heteronucl_T1_list.Text_data_format . _Heteronucl_T1_list.Text_data . loop_ _Heteronucl_T1_experiment.Experiment_ID _Heteronucl_T1_experiment.Experiment_name _Heteronucl_T1_experiment.Sample_ID _Heteronucl_T1_experiment.Sample_label _Heteronucl_T1_experiment.Sample_state _Heteronucl_T1_experiment.Entry_ID _Heteronucl_T1_experiment.Heteronucl_T1_list_ID 1 '13C HSQC 1' 1 $sample_1 . 26503 3 stop_ loop_ _T1.ID _T1.Assembly_atom_ID _T1.Entity_assembly_ID _T1.Entity_ID _T1.Comp_index_ID _T1.Seq_ID _T1.Comp_ID _T1.Atom_ID _T1.Atom_type _T1.Atom_isotope_number _T1.Val _T1.Val_err _T1.Resonance_ID _T1.Auth_entity_assembly_ID _T1.Auth_seq_ID _T1.Auth_comp_ID _T1.Auth_atom_ID _T1.Entry_ID _T1.Heteronucl_T1_list_ID 1 . 1 1 12 12 PHE CD2 C 13 2.494 0.026 . . . . . 26503 3 2 . 1 1 19 19 PHE CD2 C 13 2.450 0.008 . . . . . 26503 3 3 . 1 1 65 65 PHE CD2 C 13 1.879 0.024 . . . . . 26503 3 4 . 1 1 68 68 PHE CD2 C 13 1.521 0.051 . . . . . 26503 3 5 . 1 1 89 89 PHE CD2 C 13 1.521 0.094 . . . . . 26503 3 6 . 1 1 92 92 PHE CD2 C 13 2.731 0.015 . . . . . 26503 3 7 . 1 1 99 99 TYR CD2 C 13 1.699 0.008 . . . . . 26503 3 8 . 1 1 138 138 TYR CD2 C 13 1.666 0.026 . . . . . 26503 3 9 . 1 1 141 141 PHE CD2 C 13 1.695 0.003 . . . . . 26503 3 stop_ save_ save_heteronuclear_T1_list_4 _Heteronucl_T1_list.Sf_category heteronucl_T1_relaxation _Heteronucl_T1_list.Sf_framecode heteronuclear_T1_list_4 _Heteronucl_T1_list.Entry_ID 26503 _Heteronucl_T1_list.ID 4 _Heteronucl_T1_list.Sample_condition_list_ID 1 _Heteronucl_T1_list.Sample_condition_list_label $sample_conditions_1 _Heteronucl_T1_list.Spectrometer_frequency_1H 600 _Heteronucl_T1_list.T1_coherence_type Sz _Heteronucl_T1_list.T1_val_units s-1 _Heteronucl_T1_list.Details . _Heteronucl_T1_list.Text_data_format . _Heteronucl_T1_list.Text_data . loop_ _Heteronucl_T1_experiment.Experiment_ID _Heteronucl_T1_experiment.Experiment_name _Heteronucl_T1_experiment.Sample_ID _Heteronucl_T1_experiment.Sample_label _Heteronucl_T1_experiment.Sample_state _Heteronucl_T1_experiment.Entry_ID _Heteronucl_T1_experiment.Heteronucl_T1_list_ID 2 '13C HSQC 2' 2 $sample_2 . 26503 4 stop_ loop_ _T1.ID _T1.Assembly_atom_ID _T1.Entity_assembly_ID _T1.Entity_ID _T1.Comp_index_ID _T1.Seq_ID _T1.Comp_ID _T1.Atom_ID _T1.Atom_type _T1.Atom_isotope_number _T1.Val _T1.Val_err _T1.Resonance_ID _T1.Auth_entity_assembly_ID _T1.Auth_seq_ID _T1.Auth_comp_ID _T1.Auth_atom_ID _T1.Entry_ID _T1.Heteronucl_T1_list_ID 1 . 1 1 12 12 PHE CD2 C 13 2.449 0.026 . . . . . 26503 4 2 . 1 1 19 19 PHE CD2 C 13 2.571 0.025 . . . . . 26503 4 3 . 1 1 65 65 PHE CD2 C 13 1.739 0.066 . . . . . 26503 4 4 . 1 1 68 68 PHE CD2 C 13 1.059 0.093 . . . . . 26503 4 5 . 1 1 89 89 PHE CD2 C 13 1.523 0.091 . . . . . 26503 4 6 . 1 1 92 92 PHE CD2 C 13 2.769 0.004 . . . . . 26503 4 7 . 1 1 99 99 TYR CD2 C 13 1.602 0.041 . . . . . 26503 4 8 . 1 1 138 138 TYR CD2 C 13 1.646 0.052 . . . . . 26503 4 9 . 1 1 141 141 PHE CD2 C 13 1.499 0.085 . . . . . 26503 4 stop_ save_ save_heteronuclear_T1_list_5 _Heteronucl_T1_list.Sf_category heteronucl_T1_relaxation _Heteronucl_T1_list.Sf_framecode heteronuclear_T1_list_5 _Heteronucl_T1_list.Entry_ID 26503 _Heteronucl_T1_list.ID 5 _Heteronucl_T1_list.Sample_condition_list_ID 1 _Heteronucl_T1_list.Sample_condition_list_label $sample_conditions_1 _Heteronucl_T1_list.Spectrometer_frequency_1H 750 _Heteronucl_T1_list.T1_coherence_type Sz _Heteronucl_T1_list.T1_val_units s-1 _Heteronucl_T1_list.Details . _Heteronucl_T1_list.Text_data_format . _Heteronucl_T1_list.Text_data . loop_ _Heteronucl_T1_experiment.Experiment_ID _Heteronucl_T1_experiment.Experiment_name _Heteronucl_T1_experiment.Sample_ID _Heteronucl_T1_experiment.Sample_label _Heteronucl_T1_experiment.Sample_state _Heteronucl_T1_experiment.Entry_ID _Heteronucl_T1_experiment.Heteronucl_T1_list_ID 1 '13C HSQC 1' 1 $sample_1 . 26503 5 stop_ loop_ _T1.ID _T1.Assembly_atom_ID _T1.Entity_assembly_ID _T1.Entity_ID _T1.Comp_index_ID _T1.Seq_ID _T1.Comp_ID _T1.Atom_ID _T1.Atom_type _T1.Atom_isotope_number _T1.Val _T1.Val_err _T1.Resonance_ID _T1.Auth_entity_assembly_ID _T1.Auth_seq_ID _T1.Auth_comp_ID _T1.Auth_atom_ID _T1.Entry_ID _T1.Heteronucl_T1_list_ID 1 . 1 1 12 12 PHE CD2 C 13 2.254 0.006 . . . . . 26503 5 2 . 1 1 16 16 PHE CD2 C 13 1.175 0.036 . . . . . 26503 5 3 . 1 1 19 19 PHE CD2 C 13 2.249 0.007 . . . . . 26503 5 4 . 1 1 65 65 PHE CD2 C 13 1.543 0.003 . . . . . 26503 5 5 . 1 1 68 68 PHE CD2 C 13 0.931 0.001 . . . . . 26503 5 6 . 1 1 89 89 PHE CD2 C 13 1.424 0.009 . . . . . 26503 5 7 . 1 1 92 92 PHE CD2 C 13 2.431 0.002 . . . . . 26503 5 8 . 1 1 99 99 TYR CD2 C 13 1.501 0.001 . . . . . 26503 5 9 . 1 1 138 138 TYR CD2 C 13 1.431 0.010 . . . . . 26503 5 10 . 1 1 141 141 PHE CD2 C 13 1.383 0.006 . . . . . 26503 5 stop_ save_ save_heteronuclear_T1_list_6 _Heteronucl_T1_list.Sf_category heteronucl_T1_relaxation _Heteronucl_T1_list.Sf_framecode heteronuclear_T1_list_6 _Heteronucl_T1_list.Entry_ID 26503 _Heteronucl_T1_list.ID 6 _Heteronucl_T1_list.Sample_condition_list_ID 1 _Heteronucl_T1_list.Sample_condition_list_label $sample_conditions_1 _Heteronucl_T1_list.Spectrometer_frequency_1H 750 _Heteronucl_T1_list.T1_coherence_type Sz _Heteronucl_T1_list.T1_val_units s-1 _Heteronucl_T1_list.Details . _Heteronucl_T1_list.Text_data_format . _Heteronucl_T1_list.Text_data . loop_ _Heteronucl_T1_experiment.Experiment_ID _Heteronucl_T1_experiment.Experiment_name _Heteronucl_T1_experiment.Sample_ID _Heteronucl_T1_experiment.Sample_label _Heteronucl_T1_experiment.Sample_state _Heteronucl_T1_experiment.Entry_ID _Heteronucl_T1_experiment.Heteronucl_T1_list_ID 2 '13C HSQC 2' 2 $sample_2 . 26503 6 stop_ loop_ _T1.ID _T1.Assembly_atom_ID _T1.Entity_assembly_ID _T1.Entity_ID _T1.Comp_index_ID _T1.Seq_ID _T1.Comp_ID _T1.Atom_ID _T1.Atom_type _T1.Atom_isotope_number _T1.Val _T1.Val_err _T1.Resonance_ID _T1.Auth_entity_assembly_ID _T1.Auth_seq_ID _T1.Auth_comp_ID _T1.Auth_atom_ID _T1.Entry_ID _T1.Heteronucl_T1_list_ID 1 . 1 1 12 12 PHE CD2 C 13 2.274 0.016 . . . . . 26503 6 2 . 1 1 16 16 PHE CD2 C 13 1.079 0.065 . . . . . 26503 6 3 . 1 1 19 19 PHE CD2 C 13 2.271 0.012 . . . . . 26503 6 4 . 1 1 65 65 PHE CD2 C 13 1.417 0.030 . . . . . 26503 6 5 . 1 1 68 68 PHE CD2 C 13 1.229 0.035 . . . . . 26503 6 6 . 1 1 89 89 PHE CD2 C 13 1.230 0.014 . . . . . 26503 6 7 . 1 1 92 92 PHE CD2 C 13 2.493 0.006 . . . . . 26503 6 8 . 1 1 99 99 TYR CD2 C 13 1.333 0.027 . . . . . 26503 6 9 . 1 1 138 138 TYR CD2 C 13 1.299 0.006 . . . . . 26503 6 10 . 1 1 141 141 PHE CD2 C 13 1.359 0.014 . . . . . 26503 6 stop_ save_ ########################################### # Heteronuclear T1rho relaxation values # ########################################### save_heteronuclear_T1rho_list_1 _Heteronucl_T1rho_list.Sf_category heteronucl_T1rho_relaxation _Heteronucl_T1rho_list.Sf_framecode heteronuclear_T1rho_list_1 _Heteronucl_T1rho_list.Entry_ID 26503 _Heteronucl_T1rho_list.ID 1 _Heteronucl_T1rho_list.Sample_condition_list_ID 1 _Heteronucl_T1rho_list.Sample_condition_list_label $sample_conditions_1 _Heteronucl_T1rho_list.Spectrometer_frequency_1H 500 _Heteronucl_T1rho_list.Temp_calibration_method methanol _Heteronucl_T1rho_list.Temp_control_method 'no temperature control applied' _Heteronucl_T1rho_list.T1rho_coherence_type S(+,-) _Heteronucl_T1rho_list.T1rho_val_units s-1 _Heteronucl_T1rho_list.Rex_units s-1 _Heteronucl_T1rho_list.Details . _Heteronucl_T1rho_list.Text_data_format . _Heteronucl_T1rho_list.Text_data . loop_ _Heteronucl_T1rho_experiment.Experiment_ID _Heteronucl_T1rho_experiment.Experiment_name _Heteronucl_T1rho_experiment.Sample_ID _Heteronucl_T1rho_experiment.Sample_label _Heteronucl_T1rho_experiment.Sample_state _Heteronucl_T1rho_experiment.Entry_ID _Heteronucl_T1rho_experiment.Heteronucl_T1rho_list_ID 1 '13C HSQC 1' 1 $sample_1 . 26503 1 stop_ loop_ _T1rho.ID _T1rho.Assembly_atom_ID _T1rho.Entity_assembly_ID _T1rho.Entity_ID _T1rho.Comp_index_ID _T1rho.Seq_ID _T1rho.Comp_ID _T1rho.Atom_ID _T1rho.Atom_type _T1rho.Atom_isotope_number _T1rho.T1rho_val _T1rho.T1rho_val_err _T1rho.Rex_val _T1rho.Rex_val_err _T1rho.Resonance_ID _T1rho.Auth_entity_assembly_ID _T1rho.Auth_seq_ID _T1rho.Auth_comp_ID _T1rho.Auth_atom_ID _T1rho.Entry_ID _T1rho.Heteronucl_T1rho_list_ID 1 . 1 1 12 12 PHE CD2 C 13 24.99 0.212 . . . . . . . 26503 1 2 . 1 1 19 19 PHE CD2 C 13 24.65 0.190 . . . . . . . 26503 1 3 . 1 1 65 65 PHE CD2 C 13 40.92 0.505 . . . . . . . 26503 1 4 . 1 1 68 68 PHE CD2 C 13 52.60 0.748 . . . . . . . 26503 1 5 . 1 1 89 89 PHE CD2 C 13 42.53 0.319 . . . . . . . 26503 1 6 . 1 1 92 92 PHE CD2 C 13 20.43 0.079 . . . . . . . 26503 1 7 . 1 1 99 99 TYR CD2 C 13 37.19 0.279 . . . . . . . 26503 1 8 . 1 1 138 138 TYR CD2 C 13 39.13 0.235 . . . . . . . 26503 1 9 . 1 1 141 141 PHE CD2 C 13 47.75 0.340 . . . . . . . 26503 1 stop_ save_ save_heteronuclear_T1rho_list_2 _Heteronucl_T1rho_list.Sf_category heteronucl_T1rho_relaxation _Heteronucl_T1rho_list.Sf_framecode heteronuclear_T1rho_list_2 _Heteronucl_T1rho_list.Entry_ID 26503 _Heteronucl_T1rho_list.ID 2 _Heteronucl_T1rho_list.Sample_condition_list_ID 1 _Heteronucl_T1rho_list.Sample_condition_list_label $sample_conditions_1 _Heteronucl_T1rho_list.Spectrometer_frequency_1H 500 _Heteronucl_T1rho_list.Temp_calibration_method methanol _Heteronucl_T1rho_list.Temp_control_method 'no temperature control applied' _Heteronucl_T1rho_list.T1rho_coherence_type S(+,-) _Heteronucl_T1rho_list.T1rho_val_units s-1 _Heteronucl_T1rho_list.Rex_units s-1 _Heteronucl_T1rho_list.Details . _Heteronucl_T1rho_list.Text_data_format . _Heteronucl_T1rho_list.Text_data . loop_ _Heteronucl_T1rho_experiment.Experiment_ID _Heteronucl_T1rho_experiment.Experiment_name _Heteronucl_T1rho_experiment.Sample_ID _Heteronucl_T1rho_experiment.Sample_label _Heteronucl_T1rho_experiment.Sample_state _Heteronucl_T1rho_experiment.Entry_ID _Heteronucl_T1rho_experiment.Heteronucl_T1rho_list_ID 2 '13C HSQC 2' 2 $sample_2 . 26503 2 stop_ loop_ _T1rho.ID _T1rho.Assembly_atom_ID _T1rho.Entity_assembly_ID _T1rho.Entity_ID _T1rho.Comp_index_ID _T1rho.Seq_ID _T1rho.Comp_ID _T1rho.Atom_ID _T1rho.Atom_type _T1rho.Atom_isotope_number _T1rho.T1rho_val _T1rho.T1rho_val_err _T1rho.Rex_val _T1rho.Rex_val_err _T1rho.Resonance_ID _T1rho.Auth_entity_assembly_ID _T1rho.Auth_seq_ID _T1rho.Auth_comp_ID _T1rho.Auth_atom_ID _T1rho.Entry_ID _T1rho.Heteronucl_T1rho_list_ID 1 . 1 1 12 12 PHE CD2 C 13 27.86 0.271 . . . . . . . 26503 2 2 . 1 1 19 19 PHE CD2 C 13 26.82 0.069 . . . . . . . 26503 2 3 . 1 1 65 65 PHE CD2 C 13 48.54 1.711 . . . . . . . 26503 2 4 . 1 1 68 68 PHE CD2 C 13 53.18 1.024 . . . . . . . 26503 2 5 . 1 1 89 89 PHE CD2 C 13 46.48 1.110 . . . . . . . 26503 2 6 . 1 1 92 92 PHE CD2 C 13 23.47 0.087 . . . . . . . 26503 2 7 . 1 1 99 99 TYR CD2 C 13 45.74 1.960 . . . . . . . 26503 2 8 . 1 1 138 138 TYR CD2 C 13 46.81 1.191 . . . . . . . 26503 2 9 . 1 1 141 141 PHE CD2 C 13 51.25 1.240 . . . . . . . 26503 2 stop_ save_ save_heteronuclear_T1rho_list_3 _Heteronucl_T1rho_list.Sf_category heteronucl_T1rho_relaxation _Heteronucl_T1rho_list.Sf_framecode heteronuclear_T1rho_list_3 _Heteronucl_T1rho_list.Entry_ID 26503 _Heteronucl_T1rho_list.ID 3 _Heteronucl_T1rho_list.Sample_condition_list_ID 1 _Heteronucl_T1rho_list.Sample_condition_list_label $sample_conditions_1 _Heteronucl_T1rho_list.Spectrometer_frequency_1H 600 _Heteronucl_T1rho_list.Temp_calibration_method methanol _Heteronucl_T1rho_list.Temp_control_method 'no temperature control applied' _Heteronucl_T1rho_list.T1rho_coherence_type S(+,-) _Heteronucl_T1rho_list.T1rho_val_units s-1 _Heteronucl_T1rho_list.Rex_units s-1 _Heteronucl_T1rho_list.Details . _Heteronucl_T1rho_list.Text_data_format . _Heteronucl_T1rho_list.Text_data . loop_ _Heteronucl_T1rho_experiment.Experiment_ID _Heteronucl_T1rho_experiment.Experiment_name _Heteronucl_T1rho_experiment.Sample_ID _Heteronucl_T1rho_experiment.Sample_label _Heteronucl_T1rho_experiment.Sample_state _Heteronucl_T1rho_experiment.Entry_ID _Heteronucl_T1rho_experiment.Heteronucl_T1rho_list_ID 1 '13C HSQC 1' 1 $sample_1 . 26503 3 stop_ loop_ _T1rho.ID _T1rho.Assembly_atom_ID _T1rho.Entity_assembly_ID _T1rho.Entity_ID _T1rho.Comp_index_ID _T1rho.Seq_ID _T1rho.Comp_ID _T1rho.Atom_ID _T1rho.Atom_type _T1rho.Atom_isotope_number _T1rho.T1rho_val _T1rho.T1rho_val_err _T1rho.Rex_val _T1rho.Rex_val_err _T1rho.Resonance_ID _T1rho.Auth_entity_assembly_ID _T1rho.Auth_seq_ID _T1rho.Auth_comp_ID _T1rho.Auth_atom_ID _T1rho.Entry_ID _T1rho.Heteronucl_T1rho_list_ID 1 . 1 1 12 12 PHE CD2 C 13 28.51 0.192 . . . . . . . 26503 3 2 . 1 1 19 19 PHE CD2 C 13 27.71 0.153 . . . . . . . 26503 3 3 . 1 1 65 65 PHE CD2 C 13 45.21 0.212 . . . . . . . 26503 3 4 . 1 1 68 68 PHE CD2 C 13 57.07 1.643 . . . . . . . 26503 3 5 . 1 1 89 89 PHE CD2 C 13 49.57 0.534 . . . . . . . 26503 3 6 . 1 1 92 92 PHE CD2 C 13 22.83 0.037 . . . . . . . 26503 3 7 . 1 1 99 99 TYR CD2 C 13 43.09 0.033 . . . . . . . 26503 3 8 . 1 1 138 138 TYR CD2 C 13 44.94 0.526 . . . . . . . 26503 3 9 . 1 1 141 141 PHE CD2 C 13 54.22 0.240 . . . . . . . 26503 3 stop_ save_ save_heteronuclear_T1rho_list_4 _Heteronucl_T1rho_list.Sf_category heteronucl_T1rho_relaxation _Heteronucl_T1rho_list.Sf_framecode heteronuclear_T1rho_list_4 _Heteronucl_T1rho_list.Entry_ID 26503 _Heteronucl_T1rho_list.ID 4 _Heteronucl_T1rho_list.Sample_condition_list_ID 1 _Heteronucl_T1rho_list.Sample_condition_list_label $sample_conditions_1 _Heteronucl_T1rho_list.Spectrometer_frequency_1H 600 _Heteronucl_T1rho_list.Temp_calibration_method methanol _Heteronucl_T1rho_list.Temp_control_method 'no temperature control applied' _Heteronucl_T1rho_list.T1rho_coherence_type S(+,-) _Heteronucl_T1rho_list.T1rho_val_units s-1 _Heteronucl_T1rho_list.Rex_units s-1 _Heteronucl_T1rho_list.Details . _Heteronucl_T1rho_list.Text_data_format . _Heteronucl_T1rho_list.Text_data . loop_ _Heteronucl_T1rho_experiment.Experiment_ID _Heteronucl_T1rho_experiment.Experiment_name _Heteronucl_T1rho_experiment.Sample_ID _Heteronucl_T1rho_experiment.Sample_label _Heteronucl_T1rho_experiment.Sample_state _Heteronucl_T1rho_experiment.Entry_ID _Heteronucl_T1rho_experiment.Heteronucl_T1rho_list_ID 2 '13C HSQC 2' 2 $sample_2 . 26503 4 stop_ loop_ _T1rho.ID _T1rho.Assembly_atom_ID _T1rho.Entity_assembly_ID _T1rho.Entity_ID _T1rho.Comp_index_ID _T1rho.Seq_ID _T1rho.Comp_ID _T1rho.Atom_ID _T1rho.Atom_type _T1rho.Atom_isotope_number _T1rho.T1rho_val _T1rho.T1rho_val_err _T1rho.Rex_val _T1rho.Rex_val_err _T1rho.Resonance_ID _T1rho.Auth_entity_assembly_ID _T1rho.Auth_seq_ID _T1rho.Auth_comp_ID _T1rho.Auth_atom_ID _T1rho.Entry_ID _T1rho.Heteronucl_T1rho_list_ID 1 . 1 1 12 12 PHE CD2 C 13 32.91 0.155 . . . . . . . 26503 4 2 . 1 1 19 19 PHE CD2 C 13 31.49 0.295 . . . . . . . 26503 4 3 . 1 1 65 65 PHE CD2 C 13 48.81 0.327 . . . . . . . 26503 4 4 . 1 1 68 68 PHE CD2 C 13 59.31 0.217 . . . . . . . 26503 4 5 . 1 1 89 89 PHE CD2 C 13 52.53 0.295 . . . . . . . 26503 4 6 . 1 1 92 92 PHE CD2 C 13 25.85 0.006 . . . . . . . 26503 4 7 . 1 1 99 99 TYR CD2 C 13 49.96 0.733 . . . . . . . 26503 4 8 . 1 1 138 138 TYR CD2 C 13 50.40 0.851 . . . . . . . 26503 4 9 . 1 1 141 141 PHE CD2 C 13 56.65 0.669 . . . . . . . 26503 4 stop_ save_ save_heteronuclear_T1rho_list_5 _Heteronucl_T1rho_list.Sf_category heteronucl_T1rho_relaxation _Heteronucl_T1rho_list.Sf_framecode heteronuclear_T1rho_list_5 _Heteronucl_T1rho_list.Entry_ID 26503 _Heteronucl_T1rho_list.ID 5 _Heteronucl_T1rho_list.Sample_condition_list_ID 1 _Heteronucl_T1rho_list.Sample_condition_list_label $sample_conditions_1 _Heteronucl_T1rho_list.Spectrometer_frequency_1H 750 _Heteronucl_T1rho_list.Temp_calibration_method methanol _Heteronucl_T1rho_list.Temp_control_method 'no temperature control applied' _Heteronucl_T1rho_list.T1rho_coherence_type S(+,-) _Heteronucl_T1rho_list.T1rho_val_units s-1 _Heteronucl_T1rho_list.Rex_units s-1 _Heteronucl_T1rho_list.Details . _Heteronucl_T1rho_list.Text_data_format . _Heteronucl_T1rho_list.Text_data . loop_ _Heteronucl_T1rho_experiment.Experiment_ID _Heteronucl_T1rho_experiment.Experiment_name _Heteronucl_T1rho_experiment.Sample_ID _Heteronucl_T1rho_experiment.Sample_label _Heteronucl_T1rho_experiment.Sample_state _Heteronucl_T1rho_experiment.Entry_ID _Heteronucl_T1rho_experiment.Heteronucl_T1rho_list_ID 1 '13C HSQC 1' 1 $sample_1 . 26503 5 stop_ loop_ _T1rho.ID _T1rho.Assembly_atom_ID _T1rho.Entity_assembly_ID _T1rho.Entity_ID _T1rho.Comp_index_ID _T1rho.Seq_ID _T1rho.Comp_ID _T1rho.Atom_ID _T1rho.Atom_type _T1rho.Atom_isotope_number _T1rho.T1rho_val _T1rho.T1rho_val_err _T1rho.Rex_val _T1rho.Rex_val_err _T1rho.Resonance_ID _T1rho.Auth_entity_assembly_ID _T1rho.Auth_seq_ID _T1rho.Auth_comp_ID _T1rho.Auth_atom_ID _T1rho.Entry_ID _T1rho.Heteronucl_T1rho_list_ID 1 . 1 1 12 12 PHE CD2 C 13 37.67 0.007 . . . . . . . 26503 5 2 . 1 1 16 16 PHE CD2 C 13 70.17 1.683 . . . . . . . 26503 5 3 . 1 1 19 19 PHE CD2 C 13 36.64 0.188 . . . . . . . 26503 5 4 . 1 1 65 65 PHE CD2 C 13 66.03 0.230 . . . . . . . 26503 5 5 . 1 1 68 68 PHE CD2 C 13 79.56 2.540 . . . . . . . 26503 5 6 . 1 1 89 89 PHE CD2 C 13 64.29 0.503 . . . . . . . 26503 5 7 . 1 1 92 92 PHE CD2 C 13 30.14 0.125 . . . . . . . 26503 5 8 . 1 1 99 99 TYR CD2 C 13 57.70 0.454 . . . . . . . 26503 5 9 . 1 1 138 138 TYR CD2 C 13 56.18 0.128 . . . . . . . 26503 5 10 . 1 1 141 141 PHE CD2 C 13 75.17 0.155 . . . . . . . 26503 5 stop_ save_ save_heteronuclear_T1rho_list_6 _Heteronucl_T1rho_list.Sf_category heteronucl_T1rho_relaxation _Heteronucl_T1rho_list.Sf_framecode heteronuclear_T1rho_list_6 _Heteronucl_T1rho_list.Entry_ID 26503 _Heteronucl_T1rho_list.ID 6 _Heteronucl_T1rho_list.Sample_condition_list_ID 1 _Heteronucl_T1rho_list.Sample_condition_list_label $sample_conditions_1 _Heteronucl_T1rho_list.Spectrometer_frequency_1H 750 _Heteronucl_T1rho_list.Temp_calibration_method methanol _Heteronucl_T1rho_list.Temp_control_method 'no temperature control applied' _Heteronucl_T1rho_list.T1rho_coherence_type S(+,-) _Heteronucl_T1rho_list.T1rho_val_units s-1 _Heteronucl_T1rho_list.Rex_units s-1 _Heteronucl_T1rho_list.Details . _Heteronucl_T1rho_list.Text_data_format . _Heteronucl_T1rho_list.Text_data . loop_ _Heteronucl_T1rho_experiment.Experiment_ID _Heteronucl_T1rho_experiment.Experiment_name _Heteronucl_T1rho_experiment.Sample_ID _Heteronucl_T1rho_experiment.Sample_label _Heteronucl_T1rho_experiment.Sample_state _Heteronucl_T1rho_experiment.Entry_ID _Heteronucl_T1rho_experiment.Heteronucl_T1rho_list_ID 2 '13C HSQC 2' 2 $sample_2 . 26503 6 stop_ loop_ _T1rho.ID _T1rho.Assembly_atom_ID _T1rho.Entity_assembly_ID _T1rho.Entity_ID _T1rho.Comp_index_ID _T1rho.Seq_ID _T1rho.Comp_ID _T1rho.Atom_ID _T1rho.Atom_type _T1rho.Atom_isotope_number _T1rho.T1rho_val _T1rho.T1rho_val_err _T1rho.Rex_val _T1rho.Rex_val_err _T1rho.Resonance_ID _T1rho.Auth_entity_assembly_ID _T1rho.Auth_seq_ID _T1rho.Auth_comp_ID _T1rho.Auth_atom_ID _T1rho.Entry_ID _T1rho.Heteronucl_T1rho_list_ID 1 . 1 1 12 12 PHE CD2 C 13 40.99 0.080 . . . . . . . 26503 6 2 . 1 1 16 16 PHE CD2 C 13 70.69 3.376 . . . . . . . 26503 6 3 . 1 1 19 19 PHE CD2 C 13 40.86 0.571 . . . . . . . 26503 6 4 . 1 1 65 65 PHE CD2 C 13 67.31 0.224 . . . . . . . 26503 6 5 . 1 1 68 68 PHE CD2 C 13 75.26 1.161 . . . . . . . 26503 6 6 . 1 1 89 89 PHE CD2 C 13 66.12 0.284 . . . . . . . 26503 6 7 . 1 1 92 92 PHE CD2 C 13 33.82 0.387 . . . . . . . 26503 6 8 . 1 1 99 99 TYR CD2 C 13 63.25 0.337 . . . . . . . 26503 6 9 . 1 1 138 138 TYR CD2 C 13 63.62 0.541 . . . . . . . 26503 6 10 . 1 1 141 141 PHE CD2 C 13 73.58 0.221 . . . . . . . 26503 6 stop_ save_ ###################### # Order parameters # ###################### save_order_parameter_list_1 _Order_parameter_list.Sf_category order_parameters _Order_parameter_list.Sf_framecode order_parameter_list_1 _Order_parameter_list.Entry_ID 26503 _Order_parameter_list.ID 1 _Order_parameter_list.Sample_condition_list_ID 1 _Order_parameter_list.Sample_condition_list_label $sample_conditions_1 _Order_parameter_list.Tau_e_val_units ps _Order_parameter_list.Tau_f_val_units . _Order_parameter_list.Tau_s_val_units . _Order_parameter_list.Rex_field_strength . _Order_parameter_list.Rex_val_units . _Order_parameter_list.Details ; L-S modelfree analysis considered without remote dipolar interactions. The fit errors for all the residues were between 5-10% for the [1-13C]glucose sample, whereas the L-S model free analysis of the [4-13C]-erythrose/deuterated pyruvate/D2O sample resulted in fit errors of less than 1% for all residues. ; _Order_parameter_list.Text_data_format . _Order_parameter_list.Text_data . loop_ _Order_parameter_experiment.Experiment_ID _Order_parameter_experiment.Experiment_name _Order_parameter_experiment.Sample_ID _Order_parameter_experiment.Sample_label _Order_parameter_experiment.Sample_state _Order_parameter_experiment.Entry_ID _Order_parameter_experiment.Order_parameter_list_ID 2 '13C HSQC 2' 2 $sample_2 . 26503 1 stop_ loop_ _Order_param.ID _Order_param.Assembly_atom_ID _Order_param.Entity_assembly_ID _Order_param.Entity_ID _Order_param.Comp_index_ID _Order_param.Seq_ID _Order_param.Comp_ID _Order_param.Atom_ID _Order_param.Atom_type _Order_param.Atom_isotope_number _Order_param.Order_param_val _Order_param.Order_param_val_fit_err _Order_param.Tau_e_val _Order_param.Tau_e_val_fit_err _Order_param.Tau_f_val _Order_param.Tau_f_val_fit_err _Order_param.Tau_s_val _Order_param.Tau_s_val_fit_err _Order_param.Rex_val _Order_param.Rex_val_fit_err _Order_param.Model_free_sum_squared_errs _Order_param.Model_fit _Order_param.Sf2_val _Order_param.Sf2_val_fit_err _Order_param.Ss2_val _Order_param.Ss2_val_fit_err _Order_param.SH2_val _Order_param.SH2_val_fit_err _Order_param.SN2_val _Order_param.SN2_val_fit_err _Order_param.Resonance_ID _Order_param.Auth_entity_assembly_ID _Order_param.Auth_seq_ID _Order_param.Auth_comp_ID _Order_param.Auth_atom_ID _Order_param.Entry_ID _Order_param.Order_parameter_list_ID 1 . 1 1 12 12 PHE CD2 C 13 0.55 0.05 284 30 . . . . . . . . . . . . . . . . . . . . . 26503 1 2 . 1 1 16 16 PHE CD2 C 13 0.98 0.02 492 56 . . . . . . . . . . . . . . . . . . . . . 26503 1 3 . 1 1 19 19 PHE CD2 C 13 0.52 0.02 284 49 . . . . . . . . . . . . . . . . . . . . . 26503 1 4 . 1 1 65 65 PHE CD2 C 13 0.91 0.05 908 81 . . . . . . . . . . . . . . . . . . . . . 26503 1 5 . 1 1 68 68 PHE CD2 C 13 0.98 0.02 688 150 . . . . . . . . . . . . . . . . . . . . . 26503 1 6 . 1 1 89 89 PHE CD2 C 13 0.98 0.01 724 141 . . . . . . . . . . . . . . . . . . . . . 26503 1 7 . 1 1 92 92 PHE CD2 C 13 0.50 0.06 276 32 . . . . . . . . . . . . . . . . . . . . . 26503 1 8 . 1 1 99 99 TYR CD2 C 13 0.98 0.03 996 165 . . . . . . . . . . . . . . . . . . . . . 26503 1 9 . 1 1 138 138 TYR CD2 C 13 0.98 0.03 1200 108 . . . . . . . . . . . . . . . . . . . . . 26503 1 10 . 1 1 141 141 PHE CD2 C 13 0.98 0.02 800 135 . . . . . . . . . . . . . . . . . . . . . 26503 1 stop_ save_ save_order_parameter_list_2 _Order_parameter_list.Sf_category order_parameters _Order_parameter_list.Sf_framecode order_parameter_list_2 _Order_parameter_list.Entry_ID 26503 _Order_parameter_list.ID 2 _Order_parameter_list.Sample_condition_list_ID 1 _Order_parameter_list.Sample_condition_list_label $sample_conditions_1 _Order_parameter_list.Tau_e_val_units ps _Order_parameter_list.Tau_f_val_units . _Order_parameter_list.Tau_s_val_units . _Order_parameter_list.Rex_field_strength . _Order_parameter_list.Rex_val_units . _Order_parameter_list.Details ; L-S modelfree analysis considering remote dipolar interactions with 1H (assuming r avg = 2.3 A) The fit errors for all the residues were between 5-10% for the [1-13C]glucose sample, whereas the L-S model free analysis of the [4-13C]-erythrose/deuterated pyruvate/D2O sample resulted in fit errors of less than 1% for all residues. ; _Order_parameter_list.Text_data_format . _Order_parameter_list.Text_data . loop_ _Order_parameter_experiment.Experiment_ID _Order_parameter_experiment.Experiment_name _Order_parameter_experiment.Sample_ID _Order_parameter_experiment.Sample_label _Order_parameter_experiment.Sample_state _Order_parameter_experiment.Entry_ID _Order_parameter_experiment.Order_parameter_list_ID 2 '13C HSQC 2' 2 $sample_2 . 26503 2 stop_ loop_ _Order_param.ID _Order_param.Assembly_atom_ID _Order_param.Entity_assembly_ID _Order_param.Entity_ID _Order_param.Comp_index_ID _Order_param.Seq_ID _Order_param.Comp_ID _Order_param.Atom_ID _Order_param.Atom_type _Order_param.Atom_isotope_number _Order_param.Order_param_val _Order_param.Order_param_val_fit_err _Order_param.Tau_e_val _Order_param.Tau_e_val_fit_err _Order_param.Tau_f_val _Order_param.Tau_f_val_fit_err _Order_param.Tau_s_val _Order_param.Tau_s_val_fit_err _Order_param.Rex_val _Order_param.Rex_val_fit_err _Order_param.Model_free_sum_squared_errs _Order_param.Model_fit _Order_param.Sf2_val _Order_param.Sf2_val_fit_err _Order_param.Ss2_val _Order_param.Ss2_val_fit_err _Order_param.SH2_val _Order_param.SH2_val_fit_err _Order_param.SN2_val _Order_param.SN2_val_fit_err _Order_param.Resonance_ID _Order_param.Auth_entity_assembly_ID _Order_param.Auth_seq_ID _Order_param.Auth_comp_ID _Order_param.Auth_atom_ID _Order_param.Entry_ID _Order_param.Order_parameter_list_ID 1 . 1 1 12 12 PHE CD2 C 13 0.55 0.05 276 32 . . . . . . . . . . . . . . . . . . . . . 26503 2 2 . 1 1 16 16 PHE CD2 C 13 0.98 0.02 436 50 . . . . . . . . . . . . . . . . . . . . . 26503 2 3 . 1 1 19 19 PHE CD2 C 13 0.52 0.02 280 46 . . . . . . . . . . . . . . . . . . . . . 26503 2 4 . 1 1 65 65 PHE CD2 C 13 0.91 0.05 868 85 . . . . . . . . . . . . . . . . . . . . . 26503 2 5 . 1 1 68 68 PHE CD2 C 13 0.98 0.02 664 150 . . . . . . . . . . . . . . . . . . . . . 26503 2 6 . 1 1 89 89 PHE CD2 C 13 0.98 0.01 680 150 . . . . . . . . . . . . . . . . . . . . . 26503 2 7 . 1 1 92 92 PHE CD2 C 13 0.49 0.06 273 30 . . . . . . . . . . . . . . . . . . . . . 26503 2 8 . 1 1 99 99 TYR CD2 C 13 0.97 0.03 984 210 . . . . . . . . . . . . . . . . . . . . . 26503 2 9 . 1 1 138 138 TYR CD2 C 13 0.97 0.03 1260 105 . . . . . . . . . . . . . . . . . . . . . 26503 2 10 . 1 1 141 141 PHE CD2 C 13 0.98 0.02 780 135 . . . . . . . . . . . . . . . . . . . . . 26503 2 stop_ save_ save_order_parameter_list_3 _Order_parameter_list.Sf_category order_parameters _Order_parameter_list.Sf_framecode order_parameter_list_3 _Order_parameter_list.Entry_ID 26503 _Order_parameter_list.ID 3 _Order_parameter_list.Sample_condition_list_ID 1 _Order_parameter_list.Sample_condition_list_label $sample_conditions_1 _Order_parameter_list.Tau_e_val_units ps _Order_parameter_list.Tau_f_val_units . _Order_parameter_list.Tau_s_val_units . _Order_parameter_list.Rex_field_strength . _Order_parameter_list.Rex_val_units . _Order_parameter_list.Details ; L-S modelfree analysis considering remote dipolar interactions with 1H (ravg = 2.3 A) and C (ravg = 2.3 A or 1.4 A [bond length of C-C in aromatic ring]). In either case, the fitting resulted in identical values. The fit errors for all the residues were between 5-10% for the [1-13C]glucose sample, whereas the L-S model free analysis of the [4-13C]-erythrose/deuterated pyruvate/D2O sample resulted in fit errors of less than 1% for all residues. ; _Order_parameter_list.Text_data_format . _Order_parameter_list.Text_data . loop_ _Order_parameter_experiment.Experiment_ID _Order_parameter_experiment.Experiment_name _Order_parameter_experiment.Sample_ID _Order_parameter_experiment.Sample_label _Order_parameter_experiment.Sample_state _Order_parameter_experiment.Entry_ID _Order_parameter_experiment.Order_parameter_list_ID 2 '13C HSQC 2' . . . 26503 3 stop_ loop_ _Order_param.ID _Order_param.Assembly_atom_ID _Order_param.Entity_assembly_ID _Order_param.Entity_ID _Order_param.Comp_index_ID _Order_param.Seq_ID _Order_param.Comp_ID _Order_param.Atom_ID _Order_param.Atom_type _Order_param.Atom_isotope_number _Order_param.Order_param_val _Order_param.Order_param_val_fit_err _Order_param.Tau_e_val _Order_param.Tau_e_val_fit_err _Order_param.Tau_f_val _Order_param.Tau_f_val_fit_err _Order_param.Tau_s_val _Order_param.Tau_s_val_fit_err _Order_param.Rex_val _Order_param.Rex_val_fit_err _Order_param.Model_free_sum_squared_errs _Order_param.Model_fit _Order_param.Sf2_val _Order_param.Sf2_val_fit_err _Order_param.Ss2_val _Order_param.Ss2_val_fit_err _Order_param.SH2_val _Order_param.SH2_val_fit_err _Order_param.SN2_val _Order_param.SN2_val_fit_err _Order_param.Resonance_ID _Order_param.Auth_entity_assembly_ID _Order_param.Auth_seq_ID _Order_param.Auth_comp_ID _Order_param.Auth_atom_ID _Order_param.Entry_ID _Order_param.Order_parameter_list_ID 1 . 1 1 12 12 PHE CD2 C 13 0.54 0.06 300 32 . . . . . . . . . . . . . . . . . . . . . 26503 3 2 . 1 1 16 16 PHE CD2 C 13 0.98 0.02 1068 124 . . . . . . . . . . . . . . . . . . . . . 26503 3 3 . 1 1 19 19 PHE CD2 C 13 0.52 0.02 300 51 . . . . . . . . . . . . . . . . . . . . . 26503 3 4 . 1 1 65 65 PHE CD2 C 13 0.90 0.05 948 92 . . . . . . . . . . . . . . . . . . . . . 26503 3 5 . 1 1 68 68 PHE CD2 C 13 0.98 0.02 1476 156 . . . . . . . . . . . . . . . . . . . . . 26503 3 6 . 1 1 89 89 PHE CD2 C 13 0.98 0.01 660 81 . . . . . . . . . . . . . . . . . . . . . 26503 3 7 . 1 1 92 92 PHE CD2 C 13 0.48 0.07 264 27 . . . . . . . . . . . . . . . . . . . . . 26503 3 8 . 1 1 99 99 TYR CD2 C 13 0.96 0.02 884 100 . . . . . . . . . . . . . . . . . . . . . 26503 3 9 . 1 1 138 138 TYR CD2 C 13 0.96 0.02 1432 156 . . . . . . . . . . . . . . . . . . . . . 26503 3 10 . 1 1 141 141 PHE CD2 C 13 0.98 0.02 772 85 . . . . . . . . . . . . . . . . . . . . . 26503 3 stop_ save_