data_17360 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 17360 _Entry.Title ; Solution structure of Ca2+/calmodulin complexed with a peptide representing the calmodulin-binding domain of calmodulin kinase I ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2010-12-13 _Entry.Accession_date 2010-12-13 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _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 Jessica Gifford . L. . 17360 2 Hiroaki Ishida . . . 17360 3 Hans Vogel . J. . 17360 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'not applicable' 'not applicable' . 17360 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID Ca2+/Calmodulin . 17360 'Calmodulin complex' . 17360 'Calmodulin kinase 1' . 17360 'Calmodulin kinase 1 peptide' . 17360 'solution structure' . 17360 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 17360 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 9 17360 '1H chemical shifts' 185 17360 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 2 . . 2011-05-13 2010-12-13 update BMRB 'update entry citation' 17360 1 . . 2011-03-07 2010-12-13 original author 'original release' 17360 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 5286 'Backbone assignments of CaM:CaMKIp complex' 17360 PDB 1MXE 'X-ray structure of Ca2+/CaM bound to CaMKIp' 17360 PDB 2L7L 'BMRB Entry Tracking System' 17360 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 17360 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 21360154 _Citation.Full_citation . _Citation.Title 'Fast methionine-based solution structure determination of calcium-calmodulin complexes.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biomol. NMR' _Citation.Journal_name_full 'Journal of biomolecular NMR' _Citation.Journal_volume 50 _Citation.Journal_issue 1 _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 71 _Citation.Page_last 81 _Citation.Year 2011 _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 Jessica Gifford . L. . 17360 1 2 Hiroaki Ishida . . . 17360 1 3 Hans Vogel . J. . 17360 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 17360 _Assembly.ID 1 _Assembly.Name 'calcium-calmodulin complexes' _Assembly.BMRB_code . _Assembly.Number_of_components 6 _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 entity_1 1 $entity_1 A . yes native no no . . . 17360 1 2 entity_2 2 $entity_2 B . yes native no no . . . 17360 1 3 'CALCIUM ION_1' 3 $CA C . no native no no . . . 17360 1 4 'CALCIUM ION_2' 3 $CA D . no native no no . . . 17360 1 5 'CALCIUM ION_3' 3 $CA E . no native no no . . . 17360 1 6 'CALCIUM ION_4' 3 $CA F . no native no no . . . 17360 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 17360 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity_1 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _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 'not present' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 16721.465 _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 . . . . 17360 1 2 no BMRB 15185 . calmodulin . . . . . 100.00 148 100.00 100.00 4.91e-100 . . . . 17360 1 3 no BMRB 15186 . calmodulin . . . . . 100.00 148 100.00 100.00 4.91e-100 . . . . 17360 1 4 no BMRB 15187 . calmodulin . . . . . 100.00 148 100.00 100.00 4.91e-100 . . . . 17360 1 5 no BMRB 15188 . calmodulin . . . . . 100.00 148 99.32 100.00 9.77e-100 . . . . 17360 1 6 no BMRB 15191 . Calmodulin . . . . . 100.00 148 100.00 100.00 4.91e-100 . . . . 17360 1 7 no BMRB 15470 . calmodulin . . . . . 100.00 148 99.32 100.00 2.01e-99 . . . . 17360 1 8 no BMRB 15624 . Calmodulin . . . . . 100.00 148 100.00 100.00 4.91e-100 . . . . 17360 1 9 no BMRB 15650 . calmodulin . . . . . 100.00 148 99.32 100.00 3.32e-99 . . . . 17360 1 10 no BMRB 15852 . calmodulin . . . . . 100.00 148 99.32 100.00 3.32e-99 . . . . 17360 1 11 no BMRB 1634 . calmodulin . . . . . 100.00 148 97.30 99.32 2.54e-97 . . . . 17360 1 12 no BMRB 16418 . apoCaM . . . . . 100.00 148 100.00 100.00 4.91e-100 . . . . 17360 1 13 no BMRB 16465 . entity_1 . . . . . 100.00 148 100.00 100.00 4.91e-100 . . . . 17360 1 14 no BMRB 1648 . calmodulin . . . . . 100.00 148 97.30 99.32 2.54e-97 . . . . 17360 1 15 no BMRB 16764 . CALMODULIN . . . . . 100.00 150 100.00 100.00 5.25e-100 . . . . 17360 1 16 no BMRB 17264 . calmodulin . . . . . 100.00 148 100.00 100.00 4.91e-100 . . . . 17360 1 17 no BMRB 17771 . Calmodulin . . . . . 100.00 148 100.00 100.00 4.91e-100 . . . . 17360 1 18 no BMRB 17807 . Calmodulin . . . . . 99.32 147 100.00 100.00 2.55e-99 . . . . 17360 1 19 no BMRB 18027 . CaM . . . . . 100.00 148 100.00 100.00 4.91e-100 . . . . 17360 1 20 no BMRB 18028 . CaM . . . . . 100.00 148 100.00 100.00 4.91e-100 . . . . 17360 1 21 no BMRB 18556 . Calmodulin . . . . . 100.00 148 98.65 99.32 2.65e-98 . . . . 17360 1 22 no BMRB 19036 . calmodulin . . . . . 100.00 148 100.00 100.00 4.91e-100 . . . . 17360 1 23 no BMRB 19238 . Calmodulin_prototypical_calcium_sensor . . . . . 100.00 148 100.00 100.00 4.91e-100 . . . . 17360 1 24 no BMRB 19586 . entity_1 . . . . . 100.00 148 100.00 100.00 4.91e-100 . . . . 17360 1 25 no BMRB 19604 . calmodulin . . . . . 100.00 148 100.00 100.00 4.91e-100 . . . . 17360 1 26 no BMRB 25253 . CaM . . . . . 100.00 148 98.65 99.32 1.22e-97 . . . . 17360 1 27 no BMRB 25257 . CaM . . . . . 100.00 148 98.65 99.32 1.22e-97 . . . . 17360 1 28 no BMRB 26503 . Calmodulin . . . . . 100.00 148 100.00 100.00 4.91e-100 . . . . 17360 1 29 no BMRB 26626 . CaM . . . . . 100.00 148 100.00 100.00 4.91e-100 . . . . 17360 1 30 no BMRB 26627 . CaM . . . . . 100.00 148 100.00 100.00 4.91e-100 . . . . 17360 1 31 no BMRB 4056 . calmodulin . . . . . 100.00 148 100.00 100.00 4.91e-100 . . . . 17360 1 32 no BMRB 4270 . calmodulin . . . . . 100.00 148 100.00 100.00 4.91e-100 . . . . 17360 1 33 no BMRB 4284 . Calmodulin . . . . . 100.00 148 100.00 100.00 4.91e-100 . . . . 17360 1 34 no BMRB 4310 . calmodulin . . . . . 100.00 148 100.00 100.00 4.91e-100 . . . . 17360 1 35 no PDB 1A29 . "Calmodulin Complexed With Trifluoperazine (1:2 Complex)" . . . . . 100.00 148 100.00 100.00 4.91e-100 . . . . 17360 1 36 no PDB 1CFC . "Calcium-Free Calmodulin" . . . . . 100.00 148 100.00 100.00 4.91e-100 . . . . 17360 1 37 no PDB 1CFD . "Calcium-Free Calmodulin" . . . . . 100.00 148 100.00 100.00 4.91e-100 . . . . 17360 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 . . . . 17360 1 39 no PDB 1CKK . "CalmodulinRAT CA2+CALMODULIN DEPENDENT PROTEIN KINASE Fragment" . . . . . 100.00 148 100.00 100.00 4.91e-100 . . . . 17360 1 40 no PDB 1CLL . "Calmodulin Structure Refined At 1.7 Angstroms Resolution" . . . . . 100.00 148 100.00 100.00 4.91e-100 . . . . 17360 1 41 no PDB 1CM1 . "Motions Of Calmodulin-Single-Conformer Refinement" . . . . . 100.00 148 100.00 100.00 4.91e-100 . . . . 17360 1 42 no PDB 1CM4 . "Motions Of Calmodulin-four-conformer Refinement" . . . . . 100.00 148 100.00 100.00 4.91e-100 . . . . 17360 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 . . . . 17360 1 44 no PDB 1DMO . "Calmodulin, Nmr, 30 Structures" . . . . . 100.00 148 99.32 100.00 2.01e-99 . . . . 17360 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 . . . . 17360 1 46 no PDB 1IQ5 . "CalmodulinNEMATODE CA2+CALMODULIN DEPENDENT KINASE KINASE Fragment" . . . . . 100.00 149 100.00 100.00 5.13e-100 . . . . 17360 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 . . . . 17360 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 . . . . 17360 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 . . . . 17360 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 . . . . 17360 1 51 no PDB 1LIN . "Calmodulin Complexed With Trifluoperazine (1:4 Complex)" . . . . . 100.00 148 100.00 100.00 4.91e-100 . . . . 17360 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 . . . . 17360 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 . . . . 17360 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 . . . . 17360 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 . . . . 17360 1 56 no PDB 1OOJ . "Structural Genomics Of Caenorhabditis Elegans : Calmodulin" . . . . . 100.00 149 97.97 98.65 1.28e-97 . . . . 17360 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 . . . . 17360 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 . . . . 17360 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 . . . . 17360 1 60 no PDB 1QX5 . "Crystal Structure Of Apocalmodulin" . . . . . 100.00 148 100.00 100.00 4.91e-100 . . . . 17360 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 . . . . 17360 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 . . . . 17360 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 . . . . 17360 1 64 no PDB 1UP5 . "Chicken Calmodulin" . . . . . 100.00 148 99.32 99.32 4.13e-99 . . . . 17360 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 . . . . 17360 1 66 no PDB 1X02 . "Solution Structure Of Stereo Array Isotope Labeled (Sail) Calmodulin" . . . . . 100.00 148 100.00 100.00 4.91e-100 . . . . 17360 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 . . . . 17360 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 . . . . 17360 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 . . . . 17360 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 . . . . 17360 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 . . . . 17360 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 . . . . 17360 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 . . . . 17360 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 . . . . 17360 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 . . . . 17360 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 . . . . 17360 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 . . . . 17360 1 78 no PDB 2BKH . "Myosin Vi Nucleotide-Free (Mdinsert2) Crystal Structure" . . . . . 100.00 149 97.97 99.32 5.16e-98 . . . . 17360 1 79 no PDB 2BKI . "Myosin Vi Nucleotide-free (mdinsert2-iq) Crystal Structure" . . . . . 100.00 149 100.00 100.00 5.13e-100 . . . . 17360 1 80 no PDB 2DFS . "3-D Structure Of Myosin-V Inhibited State" . . . . . 100.00 148 100.00 100.00 4.91e-100 . . . . 17360 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 . . . . 17360 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 . . . . 17360 1 83 no PDB 2F3Y . "CalmodulinIQ DOMAIN COMPLEX" . . . . . 100.00 148 100.00 100.00 4.91e-100 . . . . 17360 1 84 no PDB 2F3Z . "CalmodulinIQ-Aa Domain Complex" . . . . . 100.00 148 100.00 100.00 4.91e-100 . . . . 17360 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 . . . . 17360 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 . . . . 17360 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 . . . . 17360 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 . . . . 17360 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 . . . . 17360 1 90 no PDB 2K0J . "Solution Structure Of Cam Complexed To Drp1p" . . . . . 100.00 148 99.32 100.00 3.32e-99 . . . . 17360 1 91 no PDB 2K61 . "Solution Structure Of Cam Complexed To Dapk Peptide" . . . . . 100.00 148 99.32 100.00 3.32e-99 . . . . 17360 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 . . . . 17360 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 . . . . 17360 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 . . . . 17360 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 . . . . 17360 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 . . . . 17360 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 . . . . 17360 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 . . . . 17360 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 . . . . 17360 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 . . . . 17360 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 . . . . 17360 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 . . . . 17360 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 . . . . 17360 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 . . . . 17360 1 105 no PDB 2O5G . "Calmodulin-Smooth Muscle Light Chain Kinase Peptide Complex" . . . . . 100.00 148 100.00 100.00 4.91e-100 . . . . 17360 1 106 no PDB 2O60 . "Calmodulin Bound To Peptide From Neuronal Nitric Oxide Synthase" . . . . . 100.00 148 100.00 100.00 4.91e-100 . . . . 17360 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 . . . . 17360 1 108 no PDB 2V01 . "Recombinant Vertebrate Calmodulin Complexed With Pb" . . . . . 100.00 149 100.00 100.00 5.13e-100 . . . . 17360 1 109 no PDB 2V02 . "Recombinant Vertebrate Calmodulin Complexed With Ba" . . . . . 100.00 149 100.00 100.00 5.13e-100 . . . . 17360 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 . . . . 17360 1 111 no PDB 2VAY . "Calmodulin Complexed With Cav1.1 Iq Peptide" . . . . . 98.65 146 100.00 100.00 1.07e-98 . . . . 17360 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 . . . . 17360 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 . . . . 17360 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 . . . . 17360 1 115 no PDB 2X0G . "X-ray Structure Of A Dap-kinase Calmodulin Complex" . . . . . 100.00 148 100.00 100.00 4.91e-100 . . . . 17360 1 116 no PDB 2X51 . "M6 Delta Insert1" . . . . . 100.00 149 97.97 99.32 5.16e-98 . . . . 17360 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 . . . . 17360 1 118 no PDB 2YGG . "Complex Of Cambr And Cam" . . . . . 100.00 150 100.00 100.00 5.60e-100 . . . . 17360 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 . . . . 17360 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 . . . . 17360 1 121 no PDB 3BYA . "Structure Of A Calmodulin Complex" . . . . . 100.00 148 100.00 100.00 4.91e-100 . . . . 17360 1 122 no PDB 3CLN . "Structure Of Calmodulin Refined At 2.2 Angstroms Resolution" . . . . . 100.00 148 99.32 100.00 2.01e-99 . . . . 17360 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 . . . . 17360 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 . . . . 17360 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 . . . . 17360 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 . . . . 17360 1 127 no PDB 3EK4 . "Calcium-saturated Gcamp2 Monomer" . . . . . 99.32 449 100.00 100.00 9.40e-96 . . . . 17360 1 128 no PDB 3EK7 . "Calcium-Saturated Gcamp2 Dimer" . . . . . 99.32 449 100.00 100.00 9.40e-96 . . . . 17360 1 129 no PDB 3EK8 . "Calcium-Saturated Gcamp2 T116vG87R MUTANT MONOMER" . . . . . 99.32 449 100.00 100.00 1.33e-95 . . . . 17360 1 130 no PDB 3EKH . "Calcium-Saturated Gcamp2 T116vK378W MUTANT MONOMER" . . . . . 99.32 449 99.32 99.32 9.09e-95 . . . . 17360 1 131 no PDB 3EVU . "Crystal Structure Of Calcium Bound Dimeric Gcamp2, (#1)" . . . . . 99.32 449 100.00 100.00 9.40e-96 . . . . 17360 1 132 no PDB 3EVV . "Crystal Structure Of Calcium Bound Dimeric Gcamp2 (#2)" . . . . . 99.32 449 100.00 100.00 9.40e-96 . . . . 17360 1 133 no PDB 3EWT . "Crystal Structure Of Calmodulin Complexed With A Peptide" . . . . . 100.00 154 100.00 100.00 2.06e-100 . . . . 17360 1 134 no PDB 3EWV . "Crystal Structure Of Calmodulin Complexed With A Peptide" . . . . . 100.00 154 100.00 100.00 2.06e-100 . . . . 17360 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 . . . . 17360 1 136 no PDB 3GN4 . "Myosin Lever Arm" . . . . . 100.00 149 97.97 99.32 5.16e-98 . . . . 17360 1 137 no PDB 3GOF . "Calmodulin Bound To Peptide From Macrophage Nitric Oxide Synthase" . . . . . 100.00 148 100.00 100.00 4.91e-100 . . . . 17360 1 138 no PDB 3HR4 . "Human Inos Reductase And Calmodulin Complex" . . . . . 100.00 149 100.00 100.00 5.13e-100 . . . . 17360 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 . . . . 17360 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 . . . . 17360 1 141 no PDB 3L9I . "Myosin Vi Nucleotide-Free (Mdinsert2) L310g Mutant Crystal Structure" . . . . . 100.00 149 97.97 99.32 5.16e-98 . . . . 17360 1 142 no PDB 3O77 . "The Structure Of Ca2+ Sensor (Case-16)" . . . . . 99.32 415 100.00 100.00 4.22e-96 . . . . 17360 1 143 no PDB 3O78 . "The Structure Of Ca2+ Sensor (Case-12)" . . . . . 99.32 415 100.00 100.00 4.65e-96 . . . . 17360 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 . . . . 17360 1 145 no PDB 3SG2 . "Crystal Structure Of Gcamp2-t116v,d381y" . . . . . 99.32 449 99.32 99.32 1.34e-94 . . . . 17360 1 146 no PDB 3SG3 . "Crystal Structure Of Gcamp3-d380y" . . . . . 99.32 449 98.64 99.32 1.70e-93 . . . . 17360 1 147 no PDB 3SG4 . "Crystal Structure Of Gcamp3-d380y, Lp(linker 2)" . . . . . 100.00 448 97.97 98.65 1.17e-93 . . . . 17360 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 . . . . 17360 1 149 no PDB 3SG6 . "Crystal Structure Of Dimeric Gcamp2-lia(linker 1)" . . . . . 99.32 450 100.00 100.00 1.20e-95 . . . . 17360 1 150 no PDB 3SG7 . "Crystal Structure Of Gcamp3-kf(linker 1)" . . . . . 99.32 448 99.32 100.00 8.02e-95 . . . . 17360 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 . . . . 17360 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 . . . . 17360 1 153 no PDB 3U0K . "Crystal Structure Of The Genetically Encoded Calcium Indicator Rcamp" . . . . . 99.32 440 98.64 99.32 2.87e-94 . . . . 17360 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 . . . . 17360 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 . . . . 17360 1 156 no PDB 4BW7 . "Calmodulin In Complex With Strontium" . . . . . 100.00 149 100.00 100.00 5.13e-100 . . . . 17360 1 157 no PDB 4BW8 . "Calmodulin With Small Bend In Central Helix" . . . . . 100.00 149 100.00 100.00 5.13e-100 . . . . 17360 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 . . . . 17360 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 . . . . 17360 1 160 no PDB 4DBP . "Myosin Vi Nucleotide-free (mdinsert2) D179y Crystal Structure" . . . . . 100.00 149 97.97 99.32 5.16e-98 . . . . 17360 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 . . . . 17360 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 . . . . 17360 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 . . . . 17360 1 164 no PDB 4E50 . "Calmodulin And Ng Peptide Complex" . . . . . 100.00 185 100.00 100.00 2.67e-100 . . . . 17360 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 . . . . 17360 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 . . . . 17360 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 . . . . 17360 1 168 no PDB 4HEX . "A Novel Conformation Of Calmodulin" . . . . . 100.00 156 100.00 100.00 2.20e-100 . . . . 17360 1 169 no PDB 4IK1 . "High Resolution Structure Of Gcampj At Ph 8.5" . . . . . 99.32 448 98.64 99.32 1.47e-93 . . . . 17360 1 170 no PDB 4IK3 . "High Resolution Structure Of Gcamp3 At Ph 8.5" . . . . . 99.32 448 99.32 100.00 9.53e-95 . . . . 17360 1 171 no PDB 4IK4 . "High Resolution Structure Of Gcamp3 At Ph 5.0" . . . . . 99.32 448 99.32 100.00 9.53e-95 . . . . 17360 1 172 no PDB 4IK5 . "High Resolution Structure Of Delta-rest-gcamp3" . . . . . 99.32 414 99.32 100.00 3.73e-95 . . . . 17360 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 . . . . 17360 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 . . . . 17360 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 . . . . 17360 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 . . . . 17360 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 . . . . 17360 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 . . . . 17360 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 . . . . 17360 1 180 no PDB 4LZX . "Complex Of Iqcg And Ca2+-free Cam" . . . . . 100.00 148 100.00 100.00 4.91e-100 . . . . 17360 1 181 no PDB 4M1L . "Complex Of Iqcg And Ca2+-bound Cam" . . . . . 100.00 148 100.00 100.00 4.91e-100 . . . . 17360 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 . . . . 17360 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 . . . . 17360 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 . . . . 17360 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 . . . . 17360 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 . . . . 17360 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 . . . . 17360 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 . . . . 17360 1 189 no DBJ BAA08302 . "calmodulin [Homo sapiens]" . . . . . 100.00 149 100.00 100.00 5.13e-100 . . . . 17360 1 190 no DBJ BAA11896 . "calmodulin [Anas platyrhynchos]" . . . . . 100.00 149 100.00 100.00 5.13e-100 . . . . 17360 1 191 no DBJ BAA19786 . "calmodulin [Branchiostoma lanceolatum]" . . . . . 100.00 149 97.97 99.32 5.16e-98 . . . . 17360 1 192 no DBJ BAA19787 . "calmodulin [Branchiostoma floridae]" . . . . . 100.00 149 97.97 99.32 5.16e-98 . . . . 17360 1 193 no DBJ BAA19788 . "calmodulin [Halocynthia roretzi]" . . . . . 100.00 149 97.97 99.32 5.16e-98 . . . . 17360 1 194 no EMBL CAA10601 . "calmodulin [Caenorhabditis elegans]" . . . . . 100.00 149 97.97 98.65 1.28e-97 . . . . 17360 1 195 no EMBL CAA32050 . "calmodulin [Rattus norvegicus]" . . . . . 100.00 149 100.00 100.00 5.13e-100 . . . . 17360 1 196 no EMBL CAA32062 . "calmodulin II [Rattus norvegicus]" . . . . . 100.00 149 100.00 100.00 5.13e-100 . . . . 17360 1 197 no EMBL CAA32119 . "calmodulin [Rattus norvegicus]" . . . . . 100.00 149 100.00 100.00 5.13e-100 . . . . 17360 1 198 no EMBL CAA32120 . "calmodulin [Rattus norvegicus]" . . . . . 100.00 149 100.00 100.00 5.13e-100 . . . . 17360 1 199 no GB AAA35635 . "calmodulin [Homo sapiens]" . . . . . 100.00 149 100.00 100.00 5.13e-100 . . . . 17360 1 200 no GB AAA35641 . "calmodulin [Homo sapiens]" . . . . . 100.00 149 100.00 100.00 5.13e-100 . . . . 17360 1 201 no GB AAA37365 . "calmodulin synthesis [Mus musculus]" . . . . . 100.00 149 100.00 100.00 5.13e-100 . . . . 17360 1 202 no GB AAA40862 . "calmodulin [Rattus norvegicus]" . . . . . 100.00 149 100.00 100.00 5.13e-100 . . . . 17360 1 203 no GB AAA40863 . "calmodulin [Rattus norvegicus]" . . . . . 100.00 149 100.00 100.00 5.13e-100 . . . . 17360 1 204 no PIR JC1305 . "calmodulin - Japanese medaka" . . . . . 100.00 149 100.00 100.00 5.13e-100 . . . . 17360 1 205 no PIR MCON . "calmodulin - salmon" . . . . . 100.00 148 100.00 100.00 4.91e-100 . . . . 17360 1 206 no PRF 0409298A . "troponin C-like protein" . . . . . 100.00 148 97.30 100.00 2.53e-98 . . . . 17360 1 207 no PRF 0608335A . calmodulin . . . . . 100.00 148 97.97 99.32 3.48e-97 . . . . 17360 1 208 no REF NP_001008160 . "calmodulin [Xenopus (Silurana) tropicalis]" . . . . . 100.00 149 100.00 100.00 5.13e-100 . . . . 17360 1 209 no REF NP_001009759 . "calmodulin [Ovis aries]" . . . . . 100.00 149 100.00 100.00 5.13e-100 . . . . 17360 1 210 no REF NP_001027633 . "calmodulin [Ciona intestinalis]" . . . . . 100.00 149 97.30 98.65 3.34e-97 . . . . 17360 1 211 no REF NP_001039714 . "calmodulin [Bos taurus]" . . . . . 100.00 149 100.00 100.00 5.13e-100 . . . . 17360 1 212 no REF NP_001040234 . "calmodulin [Bombyx mori]" . . . . . 100.00 149 97.97 99.32 5.16e-98 . . . . 17360 1 213 no SP O02367 . "RecName: Full=Calmodulin; Short=CaM; AltName: Full=Ci-CaM" . . . . . 100.00 149 97.30 98.65 3.34e-97 . . . . 17360 1 214 no SP O16305 . "RecName: Full=Calmodulin; Short=CaM" . . . . . 100.00 149 97.97 98.65 1.28e-97 . . . . 17360 1 215 no SP O96081 . "RecName: Full=Calmodulin-B; Short=CaM B" . . . . . 100.00 149 97.30 98.65 3.76e-97 . . . . 17360 1 216 no SP P02594 . "RecName: Full=Calmodulin; Short=CaM" . . . . . 100.00 149 99.32 100.00 1.65e-99 . . . . 17360 1 217 no SP P05932 . "RecName: Full=Calmodulin-beta; Short=Cam B" . . . . . 93.24 138 97.10 99.28 5.25e-90 . . . . 17360 1 218 no TPG DAA13808 . "TPA: calmodulin 2-like [Bos taurus]" . . . . . 100.00 216 98.65 98.65 2.49e-98 . . . . 17360 1 219 no TPG DAA18029 . "TPA: calmodulin [Bos taurus]" . . . . . 100.00 149 98.65 99.32 7.54e-99 . . . . 17360 1 220 no TPG DAA19590 . "TPA: calmodulin 3 [Bos taurus]" . . . . . 100.00 149 100.00 100.00 5.13e-100 . . . . 17360 1 221 no TPG DAA24777 . "TPA: calmodulin 2-like [Bos taurus]" . . . . . 100.00 149 100.00 100.00 5.13e-100 . . . . 17360 1 222 no TPG DAA24988 . "TPA: calmodulin 2-like isoform 1 [Bos taurus]" . . . . . 100.00 149 100.00 100.00 5.13e-100 . . . . 17360 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 . ALA . 17360 1 2 . ASP . 17360 1 3 . GLN . 17360 1 4 . LEU . 17360 1 5 . THR . 17360 1 6 . GLU . 17360 1 7 . GLU . 17360 1 8 . GLN . 17360 1 9 . ILE . 17360 1 10 . ALA . 17360 1 11 . GLU . 17360 1 12 . PHE . 17360 1 13 . LYS . 17360 1 14 . GLU . 17360 1 15 . ALA . 17360 1 16 . PHE . 17360 1 17 . SER . 17360 1 18 . LEU . 17360 1 19 . PHE . 17360 1 20 . ASP . 17360 1 21 . LYS . 17360 1 22 . ASP . 17360 1 23 . GLY . 17360 1 24 . ASP . 17360 1 25 . GLY . 17360 1 26 . THR . 17360 1 27 . ILE . 17360 1 28 . THR . 17360 1 29 . THR . 17360 1 30 . LYS . 17360 1 31 . GLU . 17360 1 32 . LEU . 17360 1 33 . GLY . 17360 1 34 . THR . 17360 1 35 . VAL . 17360 1 36 . MET . 17360 1 37 . ARG . 17360 1 38 . SER . 17360 1 39 . LEU . 17360 1 40 . GLY . 17360 1 41 . GLN . 17360 1 42 . ASN . 17360 1 43 . PRO . 17360 1 44 . THR . 17360 1 45 . GLU . 17360 1 46 . ALA . 17360 1 47 . GLU . 17360 1 48 . LEU . 17360 1 49 . GLN . 17360 1 50 . ASP . 17360 1 51 . MET . 17360 1 52 . ILE . 17360 1 53 . ASN . 17360 1 54 . GLU . 17360 1 55 . VAL . 17360 1 56 . ASP . 17360 1 57 . ALA . 17360 1 58 . ASP . 17360 1 59 . GLY . 17360 1 60 . ASN . 17360 1 61 . GLY . 17360 1 62 . THR . 17360 1 63 . ILE . 17360 1 64 . ASP . 17360 1 65 . PHE . 17360 1 66 . PRO . 17360 1 67 . GLU . 17360 1 68 . PHE . 17360 1 69 . LEU . 17360 1 70 . THR . 17360 1 71 . MET . 17360 1 72 . MET . 17360 1 73 . ALA . 17360 1 74 . ARG . 17360 1 75 . LYS . 17360 1 76 . MET . 17360 1 77 . LYS . 17360 1 78 . ASP . 17360 1 79 . THR . 17360 1 80 . ASP . 17360 1 81 . SER . 17360 1 82 . GLU . 17360 1 83 . GLU . 17360 1 84 . GLU . 17360 1 85 . ILE . 17360 1 86 . ARG . 17360 1 87 . GLU . 17360 1 88 . ALA . 17360 1 89 . PHE . 17360 1 90 . ARG . 17360 1 91 . VAL . 17360 1 92 . PHE . 17360 1 93 . ASP . 17360 1 94 . LYS . 17360 1 95 . ASP . 17360 1 96 . GLY . 17360 1 97 . ASN . 17360 1 98 . GLY . 17360 1 99 . TYR . 17360 1 100 . ILE . 17360 1 101 . SER . 17360 1 102 . ALA . 17360 1 103 . ALA . 17360 1 104 . GLU . 17360 1 105 . LEU . 17360 1 106 . ARG . 17360 1 107 . HIS . 17360 1 108 . VAL . 17360 1 109 . MET . 17360 1 110 . THR . 17360 1 111 . ASN . 17360 1 112 . LEU . 17360 1 113 . GLY . 17360 1 114 . GLU . 17360 1 115 . LYS . 17360 1 116 . LEU . 17360 1 117 . THR . 17360 1 118 . ASP . 17360 1 119 . GLU . 17360 1 120 . GLU . 17360 1 121 . VAL . 17360 1 122 . ASP . 17360 1 123 . GLU . 17360 1 124 . MET . 17360 1 125 . ILE . 17360 1 126 . ARG . 17360 1 127 . GLU . 17360 1 128 . ALA . 17360 1 129 . ASP . 17360 1 130 . ILE . 17360 1 131 . ASP . 17360 1 132 . GLY . 17360 1 133 . ASP . 17360 1 134 . GLY . 17360 1 135 . GLN . 17360 1 136 . VAL . 17360 1 137 . ASN . 17360 1 138 . TYR . 17360 1 139 . GLU . 17360 1 140 . GLU . 17360 1 141 . PHE . 17360 1 142 . VAL . 17360 1 143 . GLN . 17360 1 144 . MET . 17360 1 145 . MET . 17360 1 146 . THR . 17360 1 147 . ALA . 17360 1 148 . LYS . 17360 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 17360 1 . ASP 2 2 17360 1 . GLN 3 3 17360 1 . LEU 4 4 17360 1 . THR 5 5 17360 1 . GLU 6 6 17360 1 . GLU 7 7 17360 1 . GLN 8 8 17360 1 . ILE 9 9 17360 1 . ALA 10 10 17360 1 . GLU 11 11 17360 1 . PHE 12 12 17360 1 . LYS 13 13 17360 1 . GLU 14 14 17360 1 . ALA 15 15 17360 1 . PHE 16 16 17360 1 . SER 17 17 17360 1 . LEU 18 18 17360 1 . PHE 19 19 17360 1 . ASP 20 20 17360 1 . LYS 21 21 17360 1 . ASP 22 22 17360 1 . GLY 23 23 17360 1 . ASP 24 24 17360 1 . GLY 25 25 17360 1 . THR 26 26 17360 1 . ILE 27 27 17360 1 . THR 28 28 17360 1 . THR 29 29 17360 1 . LYS 30 30 17360 1 . GLU 31 31 17360 1 . LEU 32 32 17360 1 . GLY 33 33 17360 1 . THR 34 34 17360 1 . VAL 35 35 17360 1 . MET 36 36 17360 1 . ARG 37 37 17360 1 . SER 38 38 17360 1 . LEU 39 39 17360 1 . GLY 40 40 17360 1 . GLN 41 41 17360 1 . ASN 42 42 17360 1 . PRO 43 43 17360 1 . THR 44 44 17360 1 . GLU 45 45 17360 1 . ALA 46 46 17360 1 . GLU 47 47 17360 1 . LEU 48 48 17360 1 . GLN 49 49 17360 1 . ASP 50 50 17360 1 . MET 51 51 17360 1 . ILE 52 52 17360 1 . ASN 53 53 17360 1 . GLU 54 54 17360 1 . VAL 55 55 17360 1 . ASP 56 56 17360 1 . ALA 57 57 17360 1 . ASP 58 58 17360 1 . GLY 59 59 17360 1 . ASN 60 60 17360 1 . GLY 61 61 17360 1 . THR 62 62 17360 1 . ILE 63 63 17360 1 . ASP 64 64 17360 1 . PHE 65 65 17360 1 . PRO 66 66 17360 1 . GLU 67 67 17360 1 . PHE 68 68 17360 1 . LEU 69 69 17360 1 . THR 70 70 17360 1 . MET 71 71 17360 1 . MET 72 72 17360 1 . ALA 73 73 17360 1 . ARG 74 74 17360 1 . LYS 75 75 17360 1 . MET 76 76 17360 1 . LYS 77 77 17360 1 . ASP 78 78 17360 1 . THR 79 79 17360 1 . ASP 80 80 17360 1 . SER 81 81 17360 1 . GLU 82 82 17360 1 . GLU 83 83 17360 1 . GLU 84 84 17360 1 . ILE 85 85 17360 1 . ARG 86 86 17360 1 . GLU 87 87 17360 1 . ALA 88 88 17360 1 . PHE 89 89 17360 1 . ARG 90 90 17360 1 . VAL 91 91 17360 1 . PHE 92 92 17360 1 . ASP 93 93 17360 1 . LYS 94 94 17360 1 . ASP 95 95 17360 1 . GLY 96 96 17360 1 . ASN 97 97 17360 1 . GLY 98 98 17360 1 . TYR 99 99 17360 1 . ILE 100 100 17360 1 . SER 101 101 17360 1 . ALA 102 102 17360 1 . ALA 103 103 17360 1 . GLU 104 104 17360 1 . LEU 105 105 17360 1 . ARG 106 106 17360 1 . HIS 107 107 17360 1 . VAL 108 108 17360 1 . MET 109 109 17360 1 . THR 110 110 17360 1 . ASN 111 111 17360 1 . LEU 112 112 17360 1 . GLY 113 113 17360 1 . GLU 114 114 17360 1 . LYS 115 115 17360 1 . LEU 116 116 17360 1 . THR 117 117 17360 1 . ASP 118 118 17360 1 . GLU 119 119 17360 1 . GLU 120 120 17360 1 . VAL 121 121 17360 1 . ASP 122 122 17360 1 . GLU 123 123 17360 1 . MET 124 124 17360 1 . ILE 125 125 17360 1 . ARG 126 126 17360 1 . GLU 127 127 17360 1 . ALA 128 128 17360 1 . ASP 129 129 17360 1 . ILE 130 130 17360 1 . ASP 131 131 17360 1 . GLY 132 132 17360 1 . ASP 133 133 17360 1 . GLY 134 134 17360 1 . GLN 135 135 17360 1 . VAL 136 136 17360 1 . ASN 137 137 17360 1 . TYR 138 138 17360 1 . GLU 139 139 17360 1 . GLU 140 140 17360 1 . PHE 141 141 17360 1 . VAL 142 142 17360 1 . GLN 143 143 17360 1 . MET 144 144 17360 1 . MET 145 145 17360 1 . THR 146 146 17360 1 . ALA 147 147 17360 1 . LYS 148 148 17360 1 stop_ save_ save_entity_2 _Entity.Sf_category entity _Entity.Sf_framecode entity_2 _Entity.Entry_ID 17360 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name entity_2 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID B _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; AKSKWKQAFNATAVVRHMRK LQ ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details ; N-terminal acetylation C-terminal amidation ; _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 22 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment CaMKIp _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 2606.146 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-01-30 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 5286 . CaMKIp . . . . . 90.91 22 100.00 100.00 4.15e-04 . . . . 17360 2 2 no BMRB 5287 . CaMKI . . . . . 100.00 340 100.00 100.00 1.95e-05 . . . . 17360 2 3 no BMRB 6798 . "CaMKI peptide" . . . . . 95.45 22 100.00 100.00 1.18e-04 . . . . 17360 2 4 no BMRB 7018 . "Cys-CaMKI peptide" . . . . . 95.45 37 100.00 100.00 7.54e-05 . . . . 17360 2 5 no PDB 1A06 . "Calmodulin-Dependent Protein Kinase From Rat" . . . . . 100.00 332 100.00 100.00 9.51e-06 . . . . 17360 2 6 no PDB 1MXE . "Structure Of The Complex Of Calmodulin With The Target Sequence Of Camki" . . . . . 90.91 25 100.00 100.00 6.68e-04 . . . . 17360 2 7 no PDB 2L7L . "Solution Structure Of Ca2+CALMODULIN COMPLEXED WITH A PEPTIDE Representing The Calmodulin-Binding Domain Of Calmodulin Kinase I" . . . . . 100.00 22 100.00 100.00 2.18e-05 . . . . 17360 2 8 no PDB 4FG8 . "Crystal Structure Of Human Calcium/calmodulin-dependent Protein Kinase I 1-315 In Complex With Atp" . . . . . 77.27 315 100.00 100.00 3.41e-02 . . . . 17360 2 9 no PDB 4FG9 . "Crystal Structure Of Human Calcium/calmodulin-dependent Protein Kinase I 1-320 In Complex With Atp" . . . . . 100.00 320 100.00 100.00 1.31e-05 . . . . 17360 2 10 no PDB 4FGB . "Crystal Structure Of Human Calcium/calmodulin-dependent Protein Kinase I Apo Form" . . . . . 100.00 320 100.00 100.00 1.31e-05 . . . . 17360 2 11 no DBJ BAE22345 . "unnamed protein product [Mus musculus]" . . . . . 100.00 374 100.00 100.00 6.17e-06 . . . . 17360 2 12 no DBJ BAE41623 . "unnamed protein product [Mus musculus]" . . . . . 100.00 216 100.00 100.00 2.12e-06 . . . . 17360 2 13 no DBJ BAG37428 . "unnamed protein product [Homo sapiens]" . . . . . 100.00 370 100.00 100.00 6.10e-06 . . . . 17360 2 14 no DBJ BAG70091 . "calcium/calmodulin-dependent protein kinase I [Homo sapiens]" . . . . . 100.00 370 100.00 100.00 6.10e-06 . . . . 17360 2 15 no DBJ BAG70221 . "calcium/calmodulin-dependent protein kinase I [Homo sapiens]" . . . . . 100.00 370 100.00 100.00 6.10e-06 . . . . 17360 2 16 no GB AAA66944 . "CaM-like protein kinase [Rattus norvegicus]" . . . . . 100.00 374 100.00 100.00 6.17e-06 . . . . 17360 2 17 no GB AAA99458 . "cam kinase I [Homo sapiens]" . . . . . 100.00 370 100.00 100.00 6.10e-06 . . . . 17360 2 18 no GB AAH14825 . "Calcium/calmodulin-dependent protein kinase I [Mus musculus]" . . . . . 100.00 374 100.00 100.00 6.17e-06 . . . . 17360 2 19 no GB AAH71177 . "Calcium/calmodulin-dependent protein kinase I [Rattus norvegicus]" . . . . . 100.00 374 100.00 100.00 6.17e-06 . . . . 17360 2 20 no GB AAI06755 . "Calcium/calmodulin-dependent protein kinase I [Homo sapiens]" . . . . . 100.00 370 100.00 100.00 6.10e-06 . . . . 17360 2 21 no PRF 2024225A . "Ca/calmodulin protein kinase I" . . . . . 100.00 374 100.00 100.00 6.17e-06 . . . . 17360 2 22 no REF NP_001070336 . "calcium/calmodulin-dependent protein kinase type 1 [Bos taurus]" . . . . . 100.00 370 100.00 100.00 8.10e-06 . . . . 17360 2 23 no REF NP_001177124 . "calcium/calmodulin-dependent protein kinase type 1 [Sus scrofa]" . . . . . 100.00 370 100.00 100.00 6.10e-06 . . . . 17360 2 24 no REF NP_001244800 . "calcium/calmodulin-dependent protein kinase type 1 [Macaca mulatta]" . . . . . 100.00 370 100.00 100.00 6.10e-06 . . . . 17360 2 25 no REF NP_003647 . "calcium/calmodulin-dependent protein kinase type 1 [Homo sapiens]" . . . . . 100.00 370 100.00 100.00 6.10e-06 . . . . 17360 2 26 no REF NP_598687 . "calcium/calmodulin-dependent protein kinase type 1 [Mus musculus]" . . . . . 100.00 374 100.00 100.00 6.17e-06 . . . . 17360 2 27 no SP Q14012 . "RecName: Full=Calcium/calmodulin-dependent protein kinase type 1; AltName: Full=CaM kinase I; Short=CaM-KI; AltName: Full=CaM k" . . . . . 100.00 370 100.00 100.00 6.10e-06 . . . . 17360 2 28 no SP Q63450 . "RecName: Full=Calcium/calmodulin-dependent protein kinase type 1; AltName: Full=CaM kinase I; Short=CaM-KI; AltName: Full=CaM k" . . . . . 100.00 374 100.00 100.00 6.17e-06 . . . . 17360 2 29 no SP Q91YS8 . "RecName: Full=Calcium/calmodulin-dependent protein kinase type 1; AltName: Full=CaM kinase I; Short=CaM-KI; AltName: Full=CaM k" . . . . . 100.00 374 100.00 100.00 6.17e-06 . . . . 17360 2 30 no TPG DAA17160 . "TPA: calcium/calmodulin-dependent protein kinase type 1 [Bos taurus]" . . . . . 100.00 370 100.00 100.00 8.10e-06 . . . . 17360 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 1 299 ALA . 17360 2 2 300 LYS . 17360 2 3 301 SER . 17360 2 4 302 LYS . 17360 2 5 303 TRP . 17360 2 6 304 LYS . 17360 2 7 305 GLN . 17360 2 8 306 ALA . 17360 2 9 307 PHE . 17360 2 10 308 ASN . 17360 2 11 309 ALA . 17360 2 12 310 THR . 17360 2 13 311 ALA . 17360 2 14 312 VAL . 17360 2 15 313 VAL . 17360 2 16 314 ARG . 17360 2 17 315 HIS . 17360 2 18 316 MET . 17360 2 19 317 ARG . 17360 2 20 318 LYS . 17360 2 21 319 LEU . 17360 2 22 320 GLN . 17360 2 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 17360 2 . LYS 2 2 17360 2 . SER 3 3 17360 2 . LYS 4 4 17360 2 . TRP 5 5 17360 2 . LYS 6 6 17360 2 . GLN 7 7 17360 2 . ALA 8 8 17360 2 . PHE 9 9 17360 2 . ASN 10 10 17360 2 . ALA 11 11 17360 2 . THR 12 12 17360 2 . ALA 13 13 17360 2 . VAL 14 14 17360 2 . VAL 15 15 17360 2 . ARG 16 16 17360 2 . HIS 17 17 17360 2 . MET 18 18 17360 2 . ARG 19 19 17360 2 . LYS 20 20 17360 2 . LEU 21 21 17360 2 . GLN 22 22 17360 2 stop_ save_ save_CA _Entity.Sf_category entity _Entity.Sf_framecode CA _Entity.Entry_ID 17360 _Entity.ID 3 _Entity.BMRB_code . _Entity.Name CA _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 no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer . _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID CA _Entity.Nonpolymer_comp_label $chem_comp_CA _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID 3 _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 . 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 . CA . 17360 3 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 17360 _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 $entity_1 . 562 organism . 'Escherichia coli' 'E. coli' . . Bacteria . Escherichia coli . . . . . . . . . . . . . . . . . . . . . 17360 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 17360 _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 $entity_1 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . pET30b(+) . . . . . . 17360 1 2 2 $entity_2 . 'chemical synthesis' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 17360 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 17360 _Chem_comp.ID CA _Chem_comp.Provenance . _Chem_comp.Name 'CALCIUM ION' _Chem_comp.Type non-polymer _Chem_comp.BMRB_code . _Chem_comp.PDB_code CA _Chem_comp.Ambiguous_flag . _Chem_comp.Initial_date . _Chem_comp.Modified_date . _Chem_comp.Release_status . _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code CA _Chem_comp.Number_atoms_all . _Chem_comp.Number_atoms_nh . _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code . _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 ; Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Jun 9 13:21:54 2009 ; _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-UHFFFAOYAP InChIKey InChI 1.02b 17360 CA [Ca++] SMILES CACTVS 3.341 17360 CA [Ca++] SMILES_CANONICAL CACTVS 3.341 17360 CA [Ca+2] SMILES ACDLabs 10.04 17360 CA [Ca+2] SMILES 'OpenEye OEToolkits' 1.5.0 17360 CA [Ca+2] SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 17360 CA InChI=1/Ca/q+2 InChI InChI 1.02b 17360 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 17360 CA 'calcium(+2) cation' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 17360 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 . . N 2 . . . . . . . . . . 0.000 . 0.000 . 0.000 . 0.000 0.000 0.000 . . 17360 CA stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 17360 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details 'Sample for backbone and side chain assignment of CaM in the complex' _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% 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 entity_1 '[U-13C; U-15N]' . . 1 $entity_1 . . 0.95 . . mM . . . . 17360 1 2 entity_2 'natural abundance' . . 2 $entity_2 . . 1.05 . . mM . . . . 17360 1 3 'CALCIUM ION' 'natural abundance' . . 3 $CA . . 4 . . mM . . . . 17360 1 4 DSS 'natural abundance' . . . . . . 0.5 . . mM . . . . 17360 1 5 'potassium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 17360 1 6 Bis-Tris 'natural abundance' . . . . . . 20 . . mM . . . . 17360 1 7 'sodium azide' 'natural abundance' . . . . . . 0.03 . . % . . . . 17360 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 17360 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details 'Sample for collecting intrapeptide NOEs to determine the structure of the bound CaMKI' _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% 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 entity_1 '[U-2H; U-15N]' . . 1 $entity_1 . . 0.66 . . mM . . . . 17360 2 2 entity_2 'natural abundance' . . 2 $entity_2 . . 0.40 . . mM . . . . 17360 2 3 Bis-Tris 'natural abundance' . . . . . . 20 . . mM . . . . 17360 2 4 'potassium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 17360 2 5 'CALCIUM ION' 'natural abundance' . . 3 $CA . . 4 . . mM . . . . 17360 2 6 'sodium azide' 'natural abundance' . . . . . . 0.03 . . % . . . . 17360 2 7 DSS 'natural abundance' . . . . . . 0.5 . . mM . . . . 17360 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 17360 _Sample.ID 3 _Sample.Type solution _Sample.Sub_type . _Sample.Details 'Methionine methyl-labeled CaM sample for the collection of intermolecular NOEs between CaM and the bound peptide' _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 entity_1 '[1H/13C-methyl Met; U-2H; U-15N]' . . 1 $entity_1 . . 0.64 . . mM . . . . 17360 3 2 entity_2 'natural abundance' . . 2 $entity_2 . . 0.83 . . mM . . . . 17360 3 3 Bis-Tris 'natural abundance' . . . . . . 20 . . mM . . . . 17360 3 4 'potassium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 17360 3 5 'CALCIUM ION' 'natural abundance' . . 3 $CA . . 4 . . mM . . . . 17360 3 6 'sodium azide' 'natural abundance' . . . . . . 0.03 . . % . . . . 17360 3 7 DSS 'natural abundance' . . . . . . 0.5 . . mM . . . . 17360 3 stop_ save_ save_sample_4 _Sample.Sf_category sample _Sample.Sf_framecode sample_4 _Sample.Entry_ID 17360 _Sample.ID 4 _Sample.Type solution _Sample.Sub_type . _Sample.Details 'Isotropic U-13;U-15 sample for collection of CaM RDCs' _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% 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 entity_1 '[U-13C; U-15N]' . . 1 $entity_1 . . 0.95 . . mM . . . . 17360 4 2 entity_2 'natural abundance' . . 2 $entity_2 . . 1.05 . . mM . . . . 17360 4 3 Bis-Tris 'natural abundance' . . . . . . 20 . . mM . . . . 17360 4 4 'potassium chloride' 'natural abundance' . . . . . . 300 . . mM . . . . 17360 4 5 'CALCIUM ION' 'natural abundance' . . 3 $CA . . 4 . . mM . . . . 17360 4 6 'sodium azide' 'natural abundance' . . . . . . 0.03 . . % . . . . 17360 4 7 DSS 'natural abundance' . . . . . . 0.5 . . mM . . . . 17360 4 stop_ save_ save_sample_5 _Sample.Sf_category sample _Sample.Sf_framecode sample_5 _Sample.Entry_ID 17360 _Sample.ID 5 _Sample.Type solution _Sample.Sub_type . _Sample.Details 'Anisotropic U13;U15 sample for the collection of CaM RDCs' _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% 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 entity_1 '[U-13C; U-15N]' . . 1 $entity_1 . . 0.95 . . mM . . . . 17360 5 2 entity_2 'natural abundance' . . 2 $entity_2 . . 1.05 . . mM . . . . 17360 5 3 Bis-Tris 'natural abundance' . . . . . . 20 . . mM . . . . 17360 5 4 'potassium chloride' 'natural abundance' . . . . . . 300 . . mM . . . . 17360 5 5 'CALCIUM ION' 'natural abundance' . . 3 $CA . . 4 . . mM . . . . 17360 5 6 'sodium azide' 'natural abundance' . . . . . . 0.03 . . % . . . . 17360 5 7 DSS 'natural abundance' . . . . . . 0.5 . . mM . . . . 17360 5 8 'Pf1 phage' 'natural abundance' . . . . . . 16 . . w/v . . . . 17360 5 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 17360 _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 'ionic strength' 0.1 . M 17360 1 pH 6.8 . pH 17360 1 pressure 1 . atm 17360 1 temperature 303 . K 17360 1 stop_ save_ save_sample_conditions_2 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_2 _Sample_condition_list.Entry_ID 17360 _Sample_condition_list.ID 2 _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 'ionic strength' 0.3 . M 17360 2 pH 6.8 . pH 17360 2 pressure 1 . atm 17360 2 temperature 303 . K 17360 2 stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 17360 _Software.ID 1 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 17360 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 17360 1 stop_ save_ save_NMRView _Software.Sf_category software _Software.Sf_framecode NMRView _Software.Entry_ID 17360 _Software.ID 2 _Software.Name NMRView _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Johnson, One Moon Scientific' . . 17360 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 17360 2 'peak picking' 17360 2 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 17360 _Software.ID 3 _Software.Name CYANA _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 17360 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 17360 3 refinement 17360 3 'structure solution' 17360 3 stop_ save_ save_X-PLOR_NIH _Software.Sf_category software _Software.Sf_framecode X-PLOR_NIH _Software.Entry_ID 17360 _Software.ID 4 _Software.Name 'X-PLOR NIH' _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Schwieters, Kuszewski, Tjandra and Clore' . . 17360 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 17360 4 'structure solution' 17360 4 stop_ save_ save_ProcheckNMR _Software.Sf_category software _Software.Sf_framecode ProcheckNMR _Software.Entry_ID 17360 _Software.ID 5 _Software.Name ProcheckNMR _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Laskowski and MacArthur' . . 17360 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 17360 5 stop_ save_ save_TALOS _Software.Sf_category software _Software.Sf_framecode TALOS _Software.Entry_ID 17360 _Software.ID 6 _Software.Name TALOS _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Cornilescu, Delaglio and Bax' . . 17360 6 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 17360 6 stop_ save_ save_Molmol _Software.Sf_category software _Software.Sf_framecode Molmol _Software.Entry_ID 17360 _Software.ID 7 _Software.Name Molmol _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Koradi, Billeter and Wuthrich' . . 17360 7 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 17360 7 stop_ save_ save_xwinnmr _Software.Sf_category software _Software.Sf_framecode xwinnmr _Software.Entry_ID 17360 _Software.ID 8 _Software.Name xwinnmr _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 17360 8 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 17360 8 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 17360 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 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 17360 _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 . 500 . . . 17360 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 17360 _Experiment_list.ID 1 _Experiment_list.Details 'The structure was determined using a combination of NOE and residual dipolar coupling restraints.' 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 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17360 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17360 1 3 '2D 1H-1H COSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17360 1 4 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17360 1 5 '3D C(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17360 1 6 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17360 1 7 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17360 1 8 '3D HBHA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17360 1 9 '3D H(CCO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17360 1 10 '3D 1H-13C NOESY' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17360 1 11 '3D HN(CA)CO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17360 1 12 '2D HMBC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17360 1 13 '3D LRCH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17360 1 14 'F2-filtered 2D 1H-1H NOESY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17360 1 15 '2D 1H-15N IPAP HSQC' no . . . . . . . . . . 4 $sample_4 isotropic . . 2 $sample_conditions_2 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17360 1 16 '2D 1H-15N IPAP HSQC' no . . . . . . . . . . 5 $sample_5 anisotropic . . 2 $sample_conditions_2 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17360 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 17360 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.251449530 . . . . . . . . . 17360 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 17360 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.101329118 . . . . . . . . . 17360 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 17360 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 17360 1 2 '2D 1H-13C HSQC' . . . 17360 1 3 '2D 1H-1H COSY' . . . 17360 1 4 '3D CBCA(CO)NH' . . . 17360 1 5 '3D C(CO)NH' . . . 17360 1 6 '3D HNCO' . . . 17360 1 7 '3D HNCACB' . . . 17360 1 8 '3D HBHA(CO)NH' . . . 17360 1 9 '3D H(CCO)NH' . . . 17360 1 11 '3D HN(CA)CO' . . . 17360 1 12 '2D HMBC' . . . 17360 1 13 '3D LRCH' . . . 17360 1 14 'F2-filtered 2D 1H-1H NOESY' . . . 17360 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 36 36 MET HA H 1 3.778 . . 1 . . . . 36 MET HA . 17360 1 2 . 1 1 36 36 MET HE1 H 1 2.059 . . 1 . . . . 36 MET HE1 . 17360 1 3 . 1 1 36 36 MET HE2 H 1 2.059 . . 1 . . . . 36 MET HE1 . 17360 1 4 . 1 1 36 36 MET HE3 H 1 2.059 . . 1 . . . . 36 MET HE1 . 17360 1 5 . 1 1 36 36 MET CE C 13 18.468 . . 1 . . . . 36 MET CE . 17360 1 6 . 1 1 51 51 MET HA H 1 3.878 . . 1 . . . . 51 MET HA . 17360 1 7 . 1 1 51 51 MET HE1 H 1 1.969 . . 1 . . . . 51 MET HE1 . 17360 1 8 . 1 1 51 51 MET HE2 H 1 1.969 . . 1 . . . . 51 MET HE1 . 17360 1 9 . 1 1 51 51 MET HE3 H 1 1.969 . . 1 . . . . 51 MET HE1 . 17360 1 10 . 1 1 51 51 MET CE C 13 17.873 . . 1 . . . . 51 MET CE . 17360 1 11 . 1 1 71 71 MET HA H 1 3.975 . . 1 . . . . 71 MET HA . 17360 1 12 . 1 1 71 71 MET HE1 H 1 1.504 . . 1 . . . . 71 MET HE1 . 17360 1 13 . 1 1 71 71 MET HE2 H 1 1.504 . . 1 . . . . 71 MET HE1 . 17360 1 14 . 1 1 71 71 MET HE3 H 1 1.504 . . 1 . . . . 71 MET HE1 . 17360 1 15 . 1 1 71 71 MET CE C 13 17.341 . . 1 . . . . 71 MET CE . 17360 1 16 . 1 1 72 72 MET HA H 1 3.787 . . 1 . . . . 72 MET HA . 17360 1 17 . 1 1 72 72 MET HE1 H 1 1.310 . . 1 . . . . 72 MET HE1 . 17360 1 18 . 1 1 72 72 MET HE2 H 1 1.310 . . 1 . . . . 72 MET HE1 . 17360 1 19 . 1 1 72 72 MET HE3 H 1 1.310 . . 1 . . . . 72 MET HE1 . 17360 1 20 . 1 1 72 72 MET CE C 13 16.852 . . 1 . . . . 72 MET CE . 17360 1 21 . 1 1 76 76 MET HA H 1 4.235 . . 1 . . . . 76 MET HA . 17360 1 22 . 1 1 76 76 MET HE1 H 1 2.165 . . 1 . . . . 76 MET HE1 . 17360 1 23 . 1 1 76 76 MET HE2 H 1 2.165 . . 1 . . . . 76 MET HE1 . 17360 1 24 . 1 1 76 76 MET HE3 H 1 2.165 . . 1 . . . . 76 MET HE1 . 17360 1 25 . 1 1 76 76 MET CE C 13 16.787 . . 1 . . . . 76 MET CE . 17360 1 26 . 1 1 109 109 MET HA H 1 4.266 . . 1 . . . . 109 MET HA . 17360 1 27 . 1 1 109 109 MET HE1 H 1 1.815 . . 1 . . . . 109 MET HE1 . 17360 1 28 . 1 1 109 109 MET HE2 H 1 1.815 . . 1 . . . . 109 MET HE1 . 17360 1 29 . 1 1 109 109 MET HE3 H 1 1.815 . . 1 . . . . 109 MET HE1 . 17360 1 30 . 1 1 109 109 MET CE C 13 16.259 . . 1 . . . . 109 MET CE . 17360 1 31 . 1 1 124 124 MET HA H 1 3.998 . . 1 . . . . 124 MET HA . 17360 1 32 . 1 1 124 124 MET HE1 H 1 0.834 . . 1 . . . . 124 MET HE1 . 17360 1 33 . 1 1 124 124 MET HE2 H 1 0.834 . . 1 . . . . 124 MET HE1 . 17360 1 34 . 1 1 124 124 MET HE3 H 1 0.834 . . 1 . . . . 124 MET HE1 . 17360 1 35 . 1 1 124 124 MET CE C 13 15.640 . . 1 . . . . 124 MET CE . 17360 1 36 . 1 1 144 144 MET HA H 1 4.144 . . 1 . . . . 144 MET HA . 17360 1 37 . 1 1 144 144 MET HE1 H 1 1.231 . . 1 . . . . 144 MET HE1 . 17360 1 38 . 1 1 144 144 MET HE2 H 1 1.231 . . 1 . . . . 144 MET HE1 . 17360 1 39 . 1 1 144 144 MET HE3 H 1 1.231 . . 1 . . . . 144 MET HE1 . 17360 1 40 . 1 1 144 144 MET CE C 13 15.978 . . 1 . . . . 144 MET CE . 17360 1 41 . 1 1 145 145 MET HA H 1 3.973 . . 1 . . . . 145 MET HA . 17360 1 42 . 1 1 145 145 MET HE1 H 1 1.294 . . 1 . . . . 145 MET HE1 . 17360 1 43 . 1 1 145 145 MET HE2 H 1 1.294 . . 1 . . . . 145 MET HE1 . 17360 1 44 . 1 1 145 145 MET HE3 H 1 1.294 . . 1 . . . . 145 MET HE1 . 17360 1 45 . 1 1 145 145 MET CE C 13 18.312 . . 1 . . . . 145 MET CE . 17360 1 46 . 2 2 1 1 ALA H H 1 8.599 . . 1 . . . . 299 ALA HN . 17360 1 47 . 2 2 1 1 ALA HA H 1 4.073 . . 1 . . . . 299 ALA HA . 17360 1 48 . 2 2 1 1 ALA HB1 H 1 1.452 . . 1 . . . . 299 ALA HB1 . 17360 1 49 . 2 2 1 1 ALA HB2 H 1 1.452 . . 1 . . . . 299 ALA HB1 . 17360 1 50 . 2 2 1 1 ALA HB3 H 1 1.452 . . 1 . . . . 299 ALA HB1 . 17360 1 51 . 2 2 2 2 LYS H H 1 8.761 . . 1 . . . . 300 LYS HN . 17360 1 52 . 2 2 2 2 LYS HA H 1 4.277 . . 1 . . . . 300 LYS HA . 17360 1 53 . 2 2 2 2 LYS HB2 H 1 1.917 . . 2 . . . . 300 LYS HB1 . 17360 1 54 . 2 2 2 2 LYS HG2 H 1 1.451 . . 2 . . . . 300 LYS HG2 . 17360 1 55 . 2 2 2 2 LYS HG3 H 1 1.544 . . 2 . . . . 300 LYS HG3 . 17360 1 56 . 2 2 2 2 LYS HD2 H 1 1.717 . . 2 . . . . 300 LYS HD1 . 17360 1 57 . 2 2 2 2 LYS HE2 H 1 2.980 . . 2 . . . . 300 LYS HE1 . 17360 1 58 . 2 2 3 3 SER H H 1 8.036 . . 1 . . . . 301 SER HN . 17360 1 59 . 2 2 3 3 SER HA H 1 4.323 . . 1 . . . . 301 SER HA . 17360 1 60 . 2 2 3 3 SER HB2 H 1 4.008 . . 2 . . . . 301 SER HB2 . 17360 1 61 . 2 2 3 3 SER HB3 H 1 4.060 . . 2 . . . . 301 SER HB3 . 17360 1 62 . 2 2 4 4 LYS H H 1 8.045 . . 1 . . . . 302 LYS HN . 17360 1 63 . 2 2 4 4 LYS HA H 1 4.230 . . 1 . . . . 302 LYS HA . 17360 1 64 . 2 2 4 4 LYS HB2 H 1 1.945 . . 2 . . . . 302 LYS HB1 . 17360 1 65 . 2 2 4 4 LYS HG2 H 1 1.463 . . 2 . . . . 302 LYS HG2 . 17360 1 66 . 2 2 4 4 LYS HG3 H 1 1.569 . . 2 . . . . 302 LYS HG3 . 17360 1 67 . 2 2 4 4 LYS HD2 H 1 1.712 . . 2 . . . . 302 LYS HD1 . 17360 1 68 . 2 2 4 4 LYS HE2 H 1 2.859 . . 2 . . . . 302 LYS HE1 . 17360 1 69 . 2 2 5 5 TRP H H 1 8.145 . . 1 . . . . 303 TRP HN . 17360 1 70 . 2 2 5 5 TRP HA H 1 4.260 . . 1 . . . . 303 TRP HA . 17360 1 71 . 2 2 5 5 TRP HB2 H 1 3.000 . . 2 . . . . 303 TRP HB2 . 17360 1 72 . 2 2 5 5 TRP HB3 H 1 3.446 . . 2 . . . . 303 TRP HB3 . 17360 1 73 . 2 2 5 5 TRP HD1 H 1 7.139 . . 1 . . . . 303 TRP HD1 . 17360 1 74 . 2 2 5 5 TRP HE1 H 1 10.371 . . 1 . . . . 303 TRP HE1 . 17360 1 75 . 2 2 5 5 TRP HE3 H 1 7.391 . . 1 . . . . 303 TRP HE3 . 17360 1 76 . 2 2 5 5 TRP HZ2 H 1 7.109 . . 1 . . . . 303 TRP HZ2 . 17360 1 77 . 2 2 5 5 TRP HZ3 H 1 6.472 . . 1 . . . . 303 TRP HZ3 . 17360 1 78 . 2 2 5 5 TRP HH2 H 1 6.848 . . 1 . . . . 303 TRP HH2 . 17360 1 79 . 2 2 6 6 LYS H H 1 8.184 . . 1 . . . . 304 LYS HN . 17360 1 80 . 2 2 6 6 LYS HA H 1 4.206 . . 1 . . . . 304 LYS HA . 17360 1 81 . 2 2 6 6 LYS HB2 H 1 2.027 . . 2 . . . . 304 LYS HB1 . 17360 1 82 . 2 2 6 6 LYS HG2 H 1 1.557 . . 2 . . . . 304 LYS HG1 . 17360 1 83 . 2 2 6 6 LYS HD2 H 1 1.670 . . 2 . . . . 304 LYS HD1 . 17360 1 84 . 2 2 6 6 LYS HE2 H 1 2.864 . . 2 . . . . 304 LYS HE1 . 17360 1 85 . 2 2 7 7 GLN H H 1 8.284 . . 1 . . . . 305 GLN HN . 17360 1 86 . 2 2 7 7 GLN HA H 1 4.486 . . 1 . . . . 305 GLN HA . 17360 1 87 . 2 2 7 7 GLN HB2 H 1 2.258 . . 2 . . . . 305 GLN HB2 . 17360 1 88 . 2 2 7 7 GLN HB3 H 1 2.295 . . 2 . . . . 305 GLN HB3 . 17360 1 89 . 2 2 7 7 GLN HG2 H 1 2.235 . . 2 . . . . 305 GLN HG2 . 17360 1 90 . 2 2 7 7 GLN HG3 H 1 2.456 . . 2 . . . . 305 GLN HG3 . 17360 1 91 . 2 2 7 7 GLN HE21 H 1 7.212 . . 2 . . . . 305 GLN HE21 . 17360 1 92 . 2 2 7 7 GLN HE22 H 1 6.974 . . 2 . . . . 305 GLN HE22 . 17360 1 93 . 2 2 8 8 ALA H H 1 7.789 . . 1 . . . . 306 ALA HN . 17360 1 94 . 2 2 8 8 ALA HA H 1 4.045 . . 1 . . . . 306 ALA HA . 17360 1 95 . 2 2 8 8 ALA HB1 H 1 1.600 . . 1 . . . . 306 ALA HB1 . 17360 1 96 . 2 2 8 8 ALA HB2 H 1 1.600 . . 1 . . . . 306 ALA HB1 . 17360 1 97 . 2 2 8 8 ALA HB3 H 1 1.600 . . 1 . . . . 306 ALA HB1 . 17360 1 98 . 2 2 9 9 PHE H H 1 8.961 . . 1 . . . . 307 PHE HN . 17360 1 99 . 2 2 9 9 PHE HA H 1 4.346 . . 1 . . . . 307 PHE HA . 17360 1 100 . 2 2 9 9 PHE HB2 H 1 3.437 . . 2 . . . . 307 PHE HB1 . 17360 1 101 . 2 2 9 9 PHE HD1 H 1 7.156 . . 3 . . . . 307 PHE HD1 . 17360 1 102 . 2 2 9 9 PHE HE1 H 1 7.290 . . 3 . . . . 307 PHE HE1 . 17360 1 103 . 2 2 9 9 PHE HZ H 1 7.336 . . 1 . . . . 307 PHE HZ . 17360 1 104 . 2 2 10 10 ASN H H 1 9.611 . . 1 . . . . 308 ASN HN . 17360 1 105 . 2 2 10 10 ASN HA H 1 4.455 . . 1 . . . . 308 ASN HA . 17360 1 106 . 2 2 10 10 ASN HB2 H 1 2.412 . . 2 . . . . 308 ASN HB2 . 17360 1 107 . 2 2 10 10 ASN HB3 H 1 3.250 . . 2 . . . . 308 ASN HB3 . 17360 1 108 . 2 2 10 10 ASN HD21 H 1 8.544 . . 2 . . . . 308 ASN HD21 . 17360 1 109 . 2 2 10 10 ASN HD22 H 1 8.226 . . 2 . . . . 308 ASN HD22 . 17360 1 110 . 2 2 11 11 ALA H H 1 8.422 . . 1 . . . . 309 ALA HN . 17360 1 111 . 2 2 11 11 ALA HA H 1 4.348 . . 1 . . . . 309 ALA HA . 17360 1 112 . 2 2 11 11 ALA HB1 H 1 1.478 . . 1 . . . . 309 ALA HB1 . 17360 1 113 . 2 2 11 11 ALA HB2 H 1 1.478 . . 1 . . . . 309 ALA HB1 . 17360 1 114 . 2 2 11 11 ALA HB3 H 1 1.478 . . 1 . . . . 309 ALA HB1 . 17360 1 115 . 2 2 12 12 THR H H 1 7.782 . . 1 . . . . 310 THR HN . 17360 1 116 . 2 2 12 12 THR HA H 1 3.922 . . 1 . . . . 310 THR HA . 17360 1 117 . 2 2 12 12 THR HB H 1 4.333 . . 1 . . . . 310 THR HB . 17360 1 118 . 2 2 12 12 THR HG1 H 1 4.923 . . 1 . . . . 310 THR HG1 . 17360 1 119 . 2 2 12 12 THR HG21 H 1 1.396 . . 1 . . . . 310 THR HG21 . 17360 1 120 . 2 2 12 12 THR HG22 H 1 1.396 . . 1 . . . . 310 THR HG21 . 17360 1 121 . 2 2 12 12 THR HG23 H 1 1.396 . . 1 . . . . 310 THR HG21 . 17360 1 122 . 2 2 13 13 ALA H H 1 8.353 . . 1 . . . . 311 ALA HN . 17360 1 123 . 2 2 13 13 ALA HA H 1 4.119 . . 1 . . . . 311 ALA HA . 17360 1 124 . 2 2 13 13 ALA HB1 H 1 1.183 . . 1 . . . . 311 ALA HB1 . 17360 1 125 . 2 2 13 13 ALA HB2 H 1 1.183 . . 1 . . . . 311 ALA HB1 . 17360 1 126 . 2 2 13 13 ALA HB3 H 1 1.183 . . 1 . . . . 311 ALA HB1 . 17360 1 127 . 2 2 14 14 VAL H H 1 8.660 . . 1 . . . . 312 VAL HN . 17360 1 128 . 2 2 14 14 VAL HA H 1 3.399 . . 1 . . . . 312 VAL HA . 17360 1 129 . 2 2 14 14 VAL HB H 1 2.430 . . 1 . . . . 312 VAL HB . 17360 1 130 . 2 2 14 14 VAL HG11 H 1 0.667 . . 2 . . . . 312 VAL HG11 . 17360 1 131 . 2 2 14 14 VAL HG12 H 1 0.667 . . 2 . . . . 312 VAL HG11 . 17360 1 132 . 2 2 14 14 VAL HG13 H 1 0.667 . . 2 . . . . 312 VAL HG11 . 17360 1 133 . 2 2 14 14 VAL HG21 H 1 1.054 . . 2 . . . . 312 VAL HG21 . 17360 1 134 . 2 2 14 14 VAL HG22 H 1 1.054 . . 2 . . . . 312 VAL HG21 . 17360 1 135 . 2 2 14 14 VAL HG23 H 1 1.054 . . 2 . . . . 312 VAL HG21 . 17360 1 136 . 2 2 15 15 VAL H H 1 7.834 . . 1 . . . . 313 VAL HN . 17360 1 137 . 2 2 15 15 VAL HA H 1 3.555 . . 1 . . . . 313 VAL HA . 17360 1 138 . 2 2 15 15 VAL HB H 1 2.282 . . 1 . . . . 313 VAL HB . 17360 1 139 . 2 2 15 15 VAL HG11 H 1 1.064 . . 2 . . . . 313 VAL HG11 . 17360 1 140 . 2 2 15 15 VAL HG12 H 1 1.064 . . 2 . . . . 313 VAL HG11 . 17360 1 141 . 2 2 15 15 VAL HG13 H 1 1.064 . . 2 . . . . 313 VAL HG11 . 17360 1 142 . 2 2 15 15 VAL HG21 H 1 1.207 . . 2 . . . . 313 VAL HG21 . 17360 1 143 . 2 2 15 15 VAL HG22 H 1 1.207 . . 2 . . . . 313 VAL HG21 . 17360 1 144 . 2 2 15 15 VAL HG23 H 1 1.207 . . 2 . . . . 313 VAL HG21 . 17360 1 145 . 2 2 16 16 ARG H H 1 7.965 . . 1 . . . . 314 ARG HN . 17360 1 146 . 2 2 16 16 ARG HA H 1 3.967 . . 1 . . . . 314 ARG HA . 17360 1 147 . 2 2 16 16 ARG HB2 H 1 1.884 . . 2 . . . . 314 ARG HB2 . 17360 1 148 . 2 2 16 16 ARG HB3 H 1 1.943 . . 2 . . . . 314 ARG HB3 . 17360 1 149 . 2 2 16 16 ARG HG2 H 1 1.739 . . 2 . . . . 314 ARG HG1 . 17360 1 150 . 2 2 16 16 ARG HD2 H 1 2.920 . . 2 . . . . 314 ARG HD1 . 17360 1 151 . 2 2 17 17 HIS H H 1 8.074 . . 1 . . . . 315 HIS HN . 17360 1 152 . 2 2 17 17 HIS HA H 1 4.296 . . 1 . . . . 315 HIS HA . 17360 1 153 . 2 2 17 17 HIS HB2 H 1 3.121 . . 2 . . . . 315 HIS HB1 . 17360 1 154 . 2 2 17 17 HIS HD2 H 1 6.689 . . 1 . . . . 315 HIS HD2 . 17360 1 155 . 2 2 17 17 HIS HE1 H 1 7.725 . . 1 . . . . 315 HIS HE1 . 17360 1 156 . 2 2 18 18 MET H H 1 8.572 . . 1 . . . . 316 MET HN . 17360 1 157 . 2 2 18 18 MET HA H 1 3.812 . . 1 . . . . 316 MET HA . 17360 1 158 . 2 2 18 18 MET HB2 H 1 1.984 . . 2 . . . . 316 MET HB2 . 17360 1 159 . 2 2 18 18 MET HB3 H 1 2.058 . . 2 . . . . 316 MET HB3 . 17360 1 160 . 2 2 18 18 MET HG2 H 1 2.444 . . 2 . . . . 316 MET HG2 . 17360 1 161 . 2 2 18 18 MET HG3 H 1 2.828 . . 2 . . . . 316 MET HG3 . 17360 1 162 . 2 2 18 18 MET HE1 H 1 1.774 . . 1 . . . . 316 MET HE1 . 17360 1 163 . 2 2 18 18 MET HE2 H 1 1.774 . . 1 . . . . 316 MET HE1 . 17360 1 164 . 2 2 18 18 MET HE3 H 1 1.774 . . 1 . . . . 316 MET HE1 . 17360 1 165 . 2 2 19 19 ARG H H 1 7.788 . . 1 . . . . 317 ARG HN . 17360 1 166 . 2 2 19 19 ARG HA H 1 4.149 . . 1 . . . . 317 ARG HA . 17360 1 167 . 2 2 19 19 ARG HB2 H 1 1.922 . . 2 . . . . 317 ARG HB1 . 17360 1 168 . 2 2 19 19 ARG HG2 H 1 1.674 . . 2 . . . . 317 ARG HG2 . 17360 1 169 . 2 2 19 19 ARG HG3 H 1 1.801 . . 2 . . . . 317 ARG HG3 . 17360 1 170 . 2 2 19 19 ARG HD2 H 1 3.163 . . 2 . . . . 317 ARG HD1 . 17360 1 171 . 2 2 20 20 LYS H H 1 7.757 . . 1 . . . . 318 LYS HN . 17360 1 172 . 2 2 20 20 LYS HA H 1 4.044 . . 1 . . . . 318 LYS HA . 17360 1 173 . 2 2 20 20 LYS HB2 H 1 1.887 . . 2 . . . . 318 LYS HB1 . 17360 1 174 . 2 2 20 20 LYS HG2 H 1 1.526 . . 2 . . . . 318 LYS HG2 . 17360 1 175 . 2 2 20 20 LYS HG3 H 1 1.391 . . 2 . . . . 318 LYS HG3 . 17360 1 176 . 2 2 20 20 LYS HD2 H 1 1.659 . . 2 . . . . 318 LYS HD1 . 17360 1 177 . 2 2 20 20 LYS HE2 H 1 2.961 . . 2 . . . . 318 LYS HE1 . 17360 1 178 . 2 2 21 21 LEU H H 1 7.755 . . 1 . . . . 319 LEU HN . 17360 1 179 . 2 2 21 21 LEU HA H 1 4.004 . . 1 . . . . 319 LEU HA . 17360 1 180 . 2 2 21 21 LEU HB2 H 1 1.734 . . 2 . . . . 319 LEU HB1 . 17360 1 181 . 2 2 21 21 LEU HG H 1 1.386 . . 1 . . . . 319 LEU HG . 17360 1 182 . 2 2 21 21 LEU HD11 H 1 0.672 . . 2 . . . . 319 LEU HD11 . 17360 1 183 . 2 2 21 21 LEU HD12 H 1 0.672 . . 2 . . . . 319 LEU HD11 . 17360 1 184 . 2 2 21 21 LEU HD13 H 1 0.672 . . 2 . . . . 319 LEU HD11 . 17360 1 185 . 2 2 21 21 LEU HD21 H 1 0.692 . . 2 . . . . 319 LEU HD21 . 17360 1 186 . 2 2 21 21 LEU HD22 H 1 0.692 . . 2 . . . . 319 LEU HD21 . 17360 1 187 . 2 2 21 21 LEU HD23 H 1 0.692 . . 2 . . . . 319 LEU HD21 . 17360 1 188 . 2 2 22 22 GLN H H 1 7.636 . . 1 . . . . 320 GLN HN . 17360 1 189 . 2 2 22 22 GLN HA H 1 4.069 . . 1 . . . . 320 GLN HA . 17360 1 190 . 2 2 22 22 GLN HB2 H 1 2.004 . . 2 . . . . 320 GLN HB2 . 17360 1 191 . 2 2 22 22 GLN HB3 H 1 2.176 . . 2 . . . . 320 GLN HB3 . 17360 1 192 . 2 2 22 22 GLN HG2 H 1 2.373 . . 2 . . . . 320 GLN HG1 . 17360 1 193 . 2 2 22 22 GLN HE21 H 1 7.730 . . 2 . . . . 320 GLN HE21 . 17360 1 194 . 2 2 22 22 GLN HE22 H 1 6.857 . . 2 . . . . 320 GLN HE22 . 17360 1 stop_ save_