data_7416 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 7416 _Entry.Title ; Solution structure of CaM complexed to DRP1p ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2008-02-04 _Entry.Accession_date 2008-02-04 _Entry.Last_release_date 2009-10-20 _Entry.Original_release_date 2009-10-20 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.8.112 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details 'Solution structure refined using paramagnetism-based restraints (pcs and rdc)' _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 Ivano Bertini . . . 7416 2 Claudio Luchinat . . . 7416 3 Giacomo Parigi . . . 7416 4 Jing Yuan . . . 7416 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 SPINE2 'Structural Proteomics in Europe' . 7416 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID calmodulin . 7416 'DRP1 peptide' . 7416 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 7416 RDCs 1 7416 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 309 7416 '15N chemical shifts' 106 7416 '1H chemical shifts' 106 7416 'residual dipolar couplings' 101 7416 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2009-10-20 2008-02-04 original author . 7416 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 15650 'calmodulin with Calcium' 7416 BMRB 7417 'calmodulin with Dysprosium(III)' 7416 BMRB 7418 'calmodulin with Thulium(III)' 7416 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 7416 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 19317469 _Citation.Full_citation . _Citation.Title 'Accurate solution structures of proteins from X-ray data and a minimal set of NMR data: calmodulin-peptide complexes as examples' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Am. Chem. Soc.' _Citation.Journal_name_full . _Citation.Journal_volume 131 _Citation.Journal_issue 14 _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 5134 _Citation.Page_last 5144 _Citation.Year 2009 _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 Ivano Bertini . . . 7416 1 2 Petri Kursula . . . 7416 1 3 Claudio Luchinat . . . 7416 1 4 Giacomo Parigi . . . 7416 1 5 Juha Vahokoski . . . 7416 1 6 Jing Yuan . . . 7416 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 7416 _Assembly.ID 1 _Assembly.Name Calmodulin _Assembly.BMRB_code . _Assembly.Number_of_components 5 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass 16636.3 _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 Calmodulin 1 $calmodulin A . yes native no no . . . 7416 1 2 'Calcium ion, 1' 2 $CA B . no native no no . . . 7416 1 3 'Calcium ion, 2' 2 $CA B . no native no no . . . 7416 1 4 'Calcium ion, 3' 2 $CA B . no native no no . . . 7416 1 5 Terbium(III) 3 $TB B . no native no no . . . 7416 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_calmodulin _Entity.Sf_category entity _Entity.Sf_framecode calmodulin _Entity.Entry_ID 7416 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name calmodulin _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; ADQLTEEQIAEFKEAFSLFD KDGDGTITTKELGTVMRSLG QNPTEAELQDMINEVDADGD 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 N60D _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 16650.387 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-01-28 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 15183 . calmodulin . . . . . 100.00 149 97.97 100.00 1.53e-98 . . . . 7416 1 2 no BMRB 15184 . calmodulin . . . . . 100.00 148 99.32 100.00 2.26e-99 . . . . 7416 1 3 no BMRB 15185 . calmodulin . . . . . 100.00 148 99.32 100.00 2.26e-99 . . . . 7416 1 4 no BMRB 15186 . calmodulin . . . . . 100.00 148 99.32 100.00 2.26e-99 . . . . 7416 1 5 no BMRB 15187 . calmodulin . . . . . 100.00 149 97.97 100.00 1.53e-98 . . . . 7416 1 6 no BMRB 15188 . calmodulin . . . . . 100.00 148 98.65 100.00 5.24e-99 . . . . 7416 1 7 no BMRB 15191 . Calmodulin . . . . . 100.00 148 99.32 100.00 2.26e-99 . . . . 7416 1 8 no BMRB 15470 . calmodulin . . . . . 100.00 148 98.65 100.00 8.29e-99 . . . . 7416 1 9 no BMRB 15624 . Calmodulin . . . . . 100.00 148 99.32 100.00 2.26e-99 . . . . 7416 1 10 no BMRB 15650 . calmodulin . . . . . 100.00 148 100.00 100.00 7.10e-100 . . . . 7416 1 11 no BMRB 15852 . calmodulin . . . . . 100.00 148 100.00 100.00 7.10e-100 . . . . 7416 1 12 no BMRB 16418 . apoCaM . . . . . 100.00 148 99.32 100.00 2.26e-99 . . . . 7416 1 13 no BMRB 16465 . entity_1 . . . . . 100.00 148 99.32 100.00 2.26e-99 . . . . 7416 1 14 no BMRB 16764 . CALMODULIN . . . . . 100.00 150 99.32 100.00 2.42e-99 . . . . 7416 1 15 no BMRB 17264 . calmodulin . . . . . 100.00 148 99.32 100.00 2.26e-99 . . . . 7416 1 16 no BMRB 17360 . entity_1 . . . . . 100.00 148 99.32 100.00 2.26e-99 . . . . 7416 1 17 no BMRB 17771 . Calmodulin . . . . . 100.00 148 99.32 100.00 2.26e-99 . . . . 7416 1 18 no BMRB 17807 . Calmodulin . . . . . 99.32 147 99.32 100.00 1.08e-98 . . . . 7416 1 19 no BMRB 18027 . CaM . . . . . 100.00 148 99.32 100.00 2.26e-99 . . . . 7416 1 20 no BMRB 18028 . CaM . . . . . 100.00 148 99.32 100.00 2.26e-99 . . . . 7416 1 21 no BMRB 18556 . Calmodulin . . . . . 100.00 148 97.97 99.32 1.18e-97 . . . . 7416 1 22 no BMRB 19036 . calmodulin . . . . . 100.00 148 99.32 100.00 2.26e-99 . . . . 7416 1 23 no BMRB 19238 . Calmodulin_prototypical_calcium_sensor . . . . . 100.00 148 99.32 100.00 2.26e-99 . . . . 7416 1 24 no BMRB 19586 . entity_1 . . . . . 100.00 148 99.32 100.00 2.26e-99 . . . . 7416 1 25 no BMRB 19604 . calmodulin . . . . . 100.00 148 99.32 100.00 2.26e-99 . . . . 7416 1 26 no BMRB 26503 . Calmodulin . . . . . 100.00 148 99.32 100.00 2.26e-99 . . . . 7416 1 27 no BMRB 4056 . calmodulin . . . . . 100.00 148 99.32 100.00 2.26e-99 . . . . 7416 1 28 no BMRB 5227 . CaM . . . . . 100.00 148 99.32 100.00 2.26e-99 . . . . 7416 1 29 no BMRB 6541 . calmodulin . . . . . 100.00 148 99.32 100.00 2.26e-99 . . . . 7416 1 30 no BMRB 6798 . calmodulin . . . . . 100.00 148 99.32 100.00 2.26e-99 . . . . 7416 1 31 no BMRB 6802 . calmodulin . . . . . 100.00 148 97.97 99.32 1.57e-97 . . . . 7416 1 32 no BMRB 6825 . calmodulin . . . . . 100.00 148 97.97 99.32 1.57e-97 . . . . 7416 1 33 no BMRB 6830 . calmodulin . . . . . 100.00 148 99.32 100.00 2.26e-99 . . . . 7416 1 34 no BMRB 6831 . calmodulin . . . . . 100.00 148 99.32 100.00 2.26e-99 . . . . 7416 1 35 no BMRB 7018 . calmodulin . . . . . 100.00 148 99.32 100.00 2.26e-99 . . . . 7416 1 36 no BMRB 7028 . calmodulin . . . . . 100.00 148 97.97 99.32 1.57e-97 . . . . 7416 1 37 no BMRB 7029 . calmodulin . . . . . 100.00 148 97.97 99.32 1.57e-97 . . . . 7416 1 38 no BMRB 7030 . calmodulin . . . . . 100.00 148 97.97 99.32 1.57e-97 . . . . 7416 1 39 no BMRB 7031 . calmodulin . . . . . 100.00 148 97.97 99.32 1.57e-97 . . . . 7416 1 40 no BMRB 7417 . calmodulin . . . . . 100.00 148 100.00 100.00 7.10e-100 . . . . 7416 1 41 no BMRB 7418 . calmodulin . . . . . 100.00 148 100.00 100.00 7.10e-100 . . . . 7416 1 42 no BMRB 7423 . calmodulin . . . . . 100.00 148 100.00 100.00 7.10e-100 . . . . 7416 1 43 no BMRB 7424 . calmodulin . . . . . 100.00 148 100.00 100.00 7.10e-100 . . . . 7416 1 44 no BMRB 7425 . calmodulin . . . . . 100.00 148 100.00 100.00 7.10e-100 . . . . 7416 1 45 no PDB 1A29 . "Calmodulin Complexed With Trifluoperazine (1:2 Complex)" . . . . . 100.00 148 99.32 100.00 2.26e-99 . . . . 7416 1 46 no PDB 1CFC . "Calcium-Free Calmodulin" . . . . . 100.00 148 99.32 100.00 2.26e-99 . . . . 7416 1 47 no PDB 1CFD . "Calcium-Free Calmodulin" . . . . . 100.00 148 99.32 100.00 2.26e-99 . . . . 7416 1 48 no PDB 1CFF . "Nmr Solution Structure Of A Complex Of Calmodulin With A Binding Peptide Of The Ca2+-Pump" . . . . . 100.00 148 99.32 100.00 2.26e-99 . . . . 7416 1 49 no PDB 1CKK . "CalmodulinRAT CA2+CALMODULIN DEPENDENT PROTEIN KINASE Fragment" . . . . . 100.00 148 99.32 100.00 2.26e-99 . . . . 7416 1 50 no PDB 1CLL . "Calmodulin Structure Refined At 1.7 Angstroms Resolution" . . . . . 100.00 148 99.32 100.00 2.26e-99 . . . . 7416 1 51 no PDB 1CM1 . "Motions Of Calmodulin-Single-Conformer Refinement" . . . . . 100.00 148 99.32 100.00 2.26e-99 . . . . 7416 1 52 no PDB 1CM4 . "Motions Of Calmodulin-four-conformer Refinement" . . . . . 100.00 148 99.32 100.00 2.26e-99 . . . . 7416 1 53 no PDB 1CTR . "Drug Binding By Calmodulin: Crystal Structure Of A Calmodulin-Trifluoperazine Complex" . . . . . 100.00 148 99.32 100.00 2.26e-99 . . . . 7416 1 54 no PDB 1DMO . "Calmodulin, Nmr, 30 Structures" . . . . . 100.00 148 98.65 100.00 8.29e-99 . . . . 7416 1 55 no PDB 1G4Y . "1.60 A Crystal Structure Of The Gating Domain From Small Conductance Potassium Channel Complexed With Calcium-Calmodulin" . . . . . 100.00 148 99.32 100.00 2.26e-99 . . . . 7416 1 56 no PDB 1IQ5 . "CalmodulinNEMATODE CA2+CALMODULIN DEPENDENT KINASE KINASE Fragment" . . . . . 100.00 149 99.32 100.00 2.64e-99 . . . . 7416 1 57 no PDB 1IWQ . "Crystal Structure Of Marcks Calmodulin Binding Domain Peptide Complexed With Ca2+CALMODULIN" . . . . . 100.00 148 99.32 100.00 2.26e-99 . . . . 7416 1 58 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 99.32 100.00 2.26e-99 . . . . 7416 1 59 no PDB 1K93 . "Crystal Structure Of The Adenylyl Cyclase Domain Of Anthrax Edema Factor (Ef) In Complex With Calmodulin" . . . . . 97.30 144 99.31 100.00 2.40e-96 . . . . 7416 1 60 no PDB 1L7Z . "Crystal Structure Of Ca2+/calmodulin Complexed With Myristoylated Cap-23/nap-22 Peptide" . . . . . 100.00 148 99.32 100.00 2.26e-99 . . . . 7416 1 61 no PDB 1LIN . "Calmodulin Complexed With Trifluoperazine (1:4 Complex)" . . . . . 100.00 148 99.32 100.00 2.26e-99 . . . . 7416 1 62 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 99.32 100.00 2.64e-99 . . . . 7416 1 63 no PDB 1MUX . "Solution Nmr Structure Of CalmodulinW-7 Complex: The Basis Of Diversity In Molecular Recognition, 30 Structures" . . . . . 100.00 148 99.32 100.00 2.26e-99 . . . . 7416 1 64 no PDB 1MXE . "Structure Of The Complex Of Calmodulin With The Target Sequence Of Camki" . . . . . 100.00 148 97.30 99.32 3.26e-97 . . . . 7416 1 65 no PDB 1NWD . "Solution Structure Of Ca2+CALMODULIN BOUND TO THE C- Terminal Domain Of Petunia Glutamate Decarboxylase" . . . . . 100.00 148 99.32 100.00 2.26e-99 . . . . 7416 1 66 no PDB 1OOJ . "Structural Genomics Of Caenorhabditis Elegans : Calmodulin" . . . . . 100.00 149 97.30 98.65 7.98e-97 . . . . 7416 1 67 no PDB 1PRW . "Crystal Structure Of Bovine Brain Ca++ Calmodulin In A Compact Form" . . . . . 100.00 149 98.65 99.32 1.88e-98 . . . . 7416 1 68 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 99.32 100.00 2.26e-99 . . . . 7416 1 69 no PDB 1QIW . "Calmodulin Complexed With N-(3,3,-Diphenylpropyl)-N'-[1-R-( 3,4-Bis-Butoxyphenyl)-Ethyl]-Propylenediamine (Dpd)" . . . . . 100.00 148 99.32 100.00 2.26e-99 . . . . 7416 1 70 no PDB 1QX5 . "Crystal Structure Of Apocalmodulin" . . . . . 100.00 148 99.32 100.00 2.26e-99 . . . . 7416 1 71 no PDB 1S26 . "Structure Of Anthrax Edema Factor-calmodulin-alpha,beta- Methyleneadenosine 5'-triphosphate Complex Reveals An Alternative Mode" . . . . . 100.00 148 99.32 100.00 2.26e-99 . . . . 7416 1 72 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 99.32 100.00 2.26e-99 . . . . 7416 1 73 no PDB 1SY9 . "Structure Of Calmodulin Complexed With A Fragment Of The Olfactory Cng Channel" . . . . . 100.00 148 99.32 100.00 2.26e-99 . . . . 7416 1 74 no PDB 1UP5 . "Chicken Calmodulin" . . . . . 100.00 148 98.65 99.32 1.82e-98 . . . . 7416 1 75 no PDB 1WRZ . "Calmodulin Complexed With A Peptide From A Human Death-Associated Protein Kinase" . . . . . 100.00 149 99.32 100.00 2.64e-99 . . . . 7416 1 76 no PDB 1X02 . "Solution Structure Of Stereo Array Isotope Labeled (Sail) Calmodulin" . . . . . 100.00 148 99.32 100.00 2.26e-99 . . . . 7416 1 77 no PDB 1XA5 . "Structure Of Calmodulin In Complex With Kar-2, A Bis-Indol Alkaloid" . . . . . 100.00 148 99.32 100.00 2.26e-99 . . . . 7416 1 78 no PDB 1XFU . "Crystal Structure Of Anthrax Edema Factor (ef) Truncation Mutant, Ef-delta 64 In Complex With Calmodulin" . . . . . 100.00 149 98.65 100.00 6.25e-99 . . . . 7416 1 79 no PDB 1XFV . "Crystal Structure Of Anthrax Edema Factor (Ef) In Complex With Calmodulin And 3' Deoxy-Atp" . . . . . 100.00 149 98.65 100.00 6.25e-99 . . . . 7416 1 80 no PDB 1XFW . "Crystal Structure Of Anthrax Edema Factor (Ef) In Complex With Calmodulin And 3'5' Cyclic Amp (Camp)" . . . . . 100.00 149 98.65 100.00 6.25e-99 . . . . 7416 1 81 no PDB 1XFY . "Crystal Structure Of Anthrax Edema Factor (Ef) In Complex With Calmodulin" . . . . . 100.00 149 98.65 100.00 6.25e-99 . . . . 7416 1 82 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 98.65 100.00 6.25e-99 . . . . 7416 1 83 no PDB 1Y0V . "Crystal Structure Of Anthrax Edema Factor (Ef) In Complex With Calmodulin And Pyrophosphate" . . . . . 97.30 146 99.31 100.00 1.97e-96 . . . . 7416 1 84 no PDB 1YR5 . "1.7-A Structure Of Calmodulin Bound To A Peptide From Dap Kinase" . . . . . 100.00 148 99.32 100.00 2.26e-99 . . . . 7416 1 85 no PDB 2BBM . "Solution Structure Of A Calmodulin-Target Peptide Complex By Multidimensional Nmr" . . . . . 100.00 148 97.30 99.32 3.26e-97 . . . . 7416 1 86 no PDB 2BBN . "Solution Structure Of A Calmodulin-Target Peptide Complex By Multidimensional Nmr" . . . . . 100.00 148 97.30 99.32 3.26e-97 . . . . 7416 1 87 no PDB 2BCX . "Crystal Structure Of Calmodulin In Complex With A Ryanodine Receptor Peptide" . . . . . 100.00 148 99.32 100.00 2.26e-99 . . . . 7416 1 88 no PDB 2BKH . "Myosin Vi Nucleotide-Free (Mdinsert2) Crystal Structure" . . . . . 100.00 149 97.30 99.32 3.48e-97 . . . . 7416 1 89 no PDB 2BKI . "Myosin Vi Nucleotide-Free (Mdinsert2-Iq) Crystal Structure" . . . . . 100.00 149 99.32 100.00 2.64e-99 . . . . 7416 1 90 no PDB 2DFS . "3-D Structure Of Myosin-V Inhibited State" . . . . . 100.00 148 99.32 100.00 2.26e-99 . . . . 7416 1 91 no PDB 2F2O . "Structure Of Calmodulin Bound To A Calcineurin Peptide: A New Way Of Making An Old Binding Mode" . . . . . 100.00 179 99.32 100.00 3.84e-99 . . . . 7416 1 92 no PDB 2F2P . "Structure Of Calmodulin Bound To A Calcineurin Peptide: A New Way Of Making An Old Binding Mode" . . . . . 100.00 179 99.32 100.00 3.84e-99 . . . . 7416 1 93 no PDB 2F3Y . "CalmodulinIQ DOMAIN COMPLEX" . . . . . 100.00 148 99.32 100.00 2.26e-99 . . . . 7416 1 94 no PDB 2F3Z . "CalmodulinIQ-Aa Domain Complex" . . . . . 100.00 148 99.32 100.00 2.26e-99 . . . . 7416 1 95 no PDB 2FOT . "Crystal Structure Of The Complex Between Calmodulin And Alphaii-Spectrin" . . . . . 100.00 148 99.32 100.00 2.26e-99 . . . . 7416 1 96 no PDB 2HQW . "Crystal Structure Of Ca2+CALMODULIN BOUND TO NMDA RECEPTOR NR1C1 Peptide" . . . . . 100.00 148 99.32 100.00 2.26e-99 . . . . 7416 1 97 no PDB 2JZI . "Structure Of Calmodulin Complexed With The Calmodulin Binding Domain Of Calcineurin" . . . . . 100.00 148 99.32 100.00 2.26e-99 . . . . 7416 1 98 no PDB 2K0E . "A Coupled Equilibrium Shift Mechanism In Calmodulin- Mediated Signal Transduction" . . . . . 100.00 148 99.32 100.00 2.26e-99 . . . . 7416 1 99 no PDB 2K0F . "Calmodulin Complexed With Calmodulin-Binding Peptide From Smooth Muscle Myosin Light Chain Kinase" . . . . . 100.00 148 99.32 100.00 2.26e-99 . . . . 7416 1 100 no PDB 2K0J . "Solution Structure Of Cam Complexed To Drp1p" . . . . . 100.00 148 100.00 100.00 7.10e-100 . . . . 7416 1 101 no PDB 2K61 . "Solution Structure Of Cam Complexed To Dapk Peptide" . . . . . 100.00 148 100.00 100.00 7.10e-100 . . . . 7416 1 102 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 99.32 100.00 2.26e-99 . . . . 7416 1 103 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 99.32 100.00 2.26e-99 . . . . 7416 1 104 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 99.32 100.00 2.26e-99 . . . . 7416 1 105 no PDB 2L7L . "Solution Structure Of Ca2+CALMODULIN COMPLEXED WITH A PEPTIDE Representing The Calmodulin-Binding Domain Of Calmodulin Kinase I" . . . . . 100.00 148 99.32 100.00 2.26e-99 . . . . 7416 1 106 no PDB 2LGF . "Solution Structure Of Ca2+CALMODULIN COMPLEXED WITH A PEPTIDE Representing The Calmodulin-Binding Domain Of L-Selectin" . . . . . 98.65 146 99.32 100.00 5.85e-98 . . . . 7416 1 107 no PDB 2LL6 . "Solution Nmr Structure Of Cam Bound To Inos Cam Binding Domain Peptide" . . . . . 100.00 148 99.32 100.00 2.26e-99 . . . . 7416 1 108 no PDB 2LL7 . "Solution Nmr Structure Of Cam Bound To The Enos Cam Binding Domain Peptide" . . . . . 100.00 148 99.32 100.00 2.26e-99 . . . . 7416 1 109 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 97.97 99.32 1.18e-97 . . . . 7416 1 110 no PDB 2M0J . "3d Structure Of Calmodulin And Calmodulin Binding Domain Of Olfactory Cyclic Nucleotide-gated Ion Channel Complex" . . . . . 100.00 148 99.32 100.00 2.26e-99 . . . . 7416 1 111 no PDB 2M0K . "3d Structure Of Calmodulin And Calmodulin Binding Domain Of Rat Olfactory Cyclic Nucleotide-gated Ion Channel" . . . . . 100.00 148 99.32 100.00 2.26e-99 . . . . 7416 1 112 no PDB 2M55 . "Nmr Structure Of The Complex Of An N-terminally Acetylated Alpha- Synuclein Peptide With Calmodulin" . . . . . 100.00 148 99.32 100.00 2.26e-99 . . . . 7416 1 113 no PDB 2MG5 . "Solution Structure Of Calmodulin Bound To The Target Peptide Of Endothelial Nitrogen Oxide Synthase Phosphorylated At Thr495" . . . . . 100.00 148 99.32 100.00 2.26e-99 . . . . 7416 1 114 no PDB 2MGU . "Structure Of The Complex Between Calmodulin And The Binding Domain Of Hiv-1 Matrix Protein" . . . . . 100.00 148 99.32 100.00 2.26e-99 . . . . 7416 1 115 no PDB 2O5G . "Calmodulin-Smooth Muscle Light Chain Kinase Peptide Complex" . . . . . 100.00 148 99.32 100.00 2.26e-99 . . . . 7416 1 116 no PDB 2O60 . "Calmodulin Bound To Peptide From Neuronal Nitric Oxide Synthase" . . . . . 100.00 148 99.32 100.00 2.26e-99 . . . . 7416 1 117 no PDB 2R28 . "The Complex Structure Of Calmodulin Bound To A Calcineurin Peptide" . . . . . 100.00 149 99.32 100.00 2.64e-99 . . . . 7416 1 118 no PDB 2V01 . "Recombinant Vertebrate Calmodulin Complexed With Pb" . . . . . 100.00 149 99.32 100.00 2.64e-99 . . . . 7416 1 119 no PDB 2V02 . "Recombinant Vertebrate Calmodulin Complexed With Ba" . . . . . 100.00 149 99.32 100.00 2.64e-99 . . . . 7416 1 120 no PDB 2VAS . "Myosin Vi (Md-Insert2-Cam, Delta-Insert1) Post-Rigor State" . . . . . 100.00 149 97.30 99.32 3.48e-97 . . . . 7416 1 121 no PDB 2VAY . "Calmodulin Complexed With Cav1.1 Iq Peptide" . . . . . 98.65 146 99.32 100.00 5.85e-98 . . . . 7416 1 122 no PDB 2W73 . "High-Resolution Structure Of The Complex Between Calmodulin And A Peptide From Calcineurin A" . . . . . 100.00 149 99.32 100.00 2.64e-99 . . . . 7416 1 123 no PDB 2WEL . "Crystal Structure Of Su6656-Bound CalciumCALMODULIN- Dependent Protein Kinase Ii Delta In Complex With Calmodulin" . . . . . 100.00 150 99.32 100.00 2.79e-99 . . . . 7416 1 124 no PDB 2X0G . "X-ray Structure Of A Dap-kinase Calmodulin Complex" . . . . . 100.00 148 99.32 100.00 2.26e-99 . . . . 7416 1 125 no PDB 2X51 . "M6 Delta Insert1" . . . . . 100.00 149 97.30 99.32 3.48e-97 . . . . 7416 1 126 no PDB 2Y4V . "Crystal Structure Of Human Calmodulin In Complex With A Dap Kinase-1 Mutant (W305y) Peptide" . . . . . 100.00 149 99.32 100.00 2.64e-99 . . . . 7416 1 127 no PDB 2YGG . "Complex Of Cambr And Cam" . . . . . 100.00 150 99.32 100.00 3.01e-99 . . . . 7416 1 128 no PDB 3BXK . "Crystal Structure Of The PQ-Type Calcium Channel (Cav2.1) Iq Domain And Ca2+calmodulin Complex" . . . . . 100.00 148 99.32 100.00 2.26e-99 . . . . 7416 1 129 no PDB 3BXL . "Crystal Structure Of The R-Type Calcium Channel (Cav2.3) Iq Domain And Ca2+calmodulin Complex" . . . . . 100.00 148 99.32 100.00 2.26e-99 . . . . 7416 1 130 no PDB 3BYA . "Structure Of A Calmodulin Complex" . . . . . 100.00 148 99.32 100.00 2.26e-99 . . . . 7416 1 131 no PDB 3CLN . "Structure Of Calmodulin Refined At 2.2 Angstroms Resolution" . . . . . 100.00 148 98.65 100.00 8.29e-99 . . . . 7416 1 132 no PDB 3DVE . "Crystal Structure Of Ca2+CAM-Cav2.2 Iq Domain Complex" . . . . . 100.00 148 99.32 100.00 2.26e-99 . . . . 7416 1 133 no PDB 3DVJ . "Crystal Structure Of Ca2+CAM-Cav2.2 Iq Domain (Without Cloning Artifact, Hm To Tv) Complex" . . . . . 100.00 148 99.32 100.00 2.26e-99 . . . . 7416 1 134 no PDB 3DVK . "Crystal Structure Of Ca2+CAM-Cav2.3 Iq Domain Complex" . . . . . 100.00 148 99.32 100.00 2.26e-99 . . . . 7416 1 135 no PDB 3DVM . "Crystal Structure Of Ca2+CAM-Cav2.1 Iq Domain Complex" . . . . . 100.00 148 99.32 100.00 2.26e-99 . . . . 7416 1 136 no PDB 3EK4 . "Calcium-saturated Gcamp2 Monomer" . . . . . 99.32 449 99.32 100.00 4.06e-95 . . . . 7416 1 137 no PDB 3EK7 . "Calcium-Saturated Gcamp2 Dimer" . . . . . 99.32 449 99.32 100.00 4.06e-95 . . . . 7416 1 138 no PDB 3EK8 . "Calcium-Saturated Gcamp2 T116vG87R MUTANT MONOMER" . . . . . 99.32 449 99.32 100.00 4.77e-95 . . . . 7416 1 139 no PDB 3EKH . "Calcium-Saturated Gcamp2 T116vK378W MUTANT MONOMER" . . . . . 99.32 449 98.64 99.32 4.10e-94 . . . . 7416 1 140 no PDB 3EVU . "Crystal Structure Of Calcium Bound Dimeric Gcamp2, (#1)" . . . . . 99.32 449 99.32 100.00 4.06e-95 . . . . 7416 1 141 no PDB 3EVV . "Crystal Structure Of Calcium Bound Dimeric Gcamp2 (#2)" . . . . . 99.32 449 99.32 100.00 4.06e-95 . . . . 7416 1 142 no PDB 3EWT . "Crystal Structure Of Calmodulin Complexed With A Peptide" . . . . . 100.00 154 99.32 100.00 1.23e-99 . . . . 7416 1 143 no PDB 3EWV . "Crystal Structure Of Calmodulin Complexed With A Peptide" . . . . . 100.00 154 99.32 100.00 1.23e-99 . . . . 7416 1 144 no PDB 3G43 . "Crystal Structure Of The Calmodulin-Bound Cav1.2 C-Terminal Regulatory Domain Dimer" . . . . . 100.00 148 99.32 100.00 2.26e-99 . . . . 7416 1 145 no PDB 3GN4 . "Myosin Lever Arm" . . . . . 100.00 149 97.30 99.32 3.48e-97 . . . . 7416 1 146 no PDB 3GOF . "Calmodulin Bound To Peptide From Macrophage Nitric Oxide Synthase" . . . . . 100.00 148 99.32 100.00 2.26e-99 . . . . 7416 1 147 no PDB 3HR4 . "Human Inos Reductase And Calmodulin Complex" . . . . . 100.00 149 99.32 100.00 2.64e-99 . . . . 7416 1 148 no PDB 3IF7 . "Structure Of Calmodulin Complexed With Its First Endogenous Inhibitor, Sphingosylphosphorylcholine" . . . . . 100.00 148 99.32 100.00 2.26e-99 . . . . 7416 1 149 no PDB 3J41 . "Pseudo-atomic Model Of The Aquaporin-0/calmodulin Complex Derived From Electron Microscopy" . . . . . 100.00 149 99.32 100.00 2.64e-99 . . . . 7416 1 150 no PDB 3L9I . "Myosin Vi Nucleotide-Free (Mdinsert2) L310g Mutant Crystal Structure" . . . . . 100.00 149 97.30 99.32 3.48e-97 . . . . 7416 1 151 no PDB 3O77 . "The Structure Of Ca2+ Sensor (Case-16)" . . . . . 99.32 415 99.32 100.00 2.10e-95 . . . . 7416 1 152 no PDB 3O78 . "The Structure Of Ca2+ Sensor (Case-12)" . . . . . 99.32 415 99.32 100.00 2.10e-95 . . . . 7416 1 153 no PDB 3OXQ . "Crystal Structure Of Ca2+CAM-Cav1.2 Pre-IqIQ DOMAIN COMPLEX" . . . . . 100.00 149 99.32 100.00 2.64e-99 . . . . 7416 1 154 no PDB 3SG2 . "Crystal Structure Of Gcamp2-t116v,d381y" . . . . . 99.32 449 98.64 99.32 6.67e-94 . . . . 7416 1 155 no PDB 3SG3 . "Crystal Structure Of Gcamp3-d380y" . . . . . 99.32 449 99.32 99.32 2.01e-94 . . . . 7416 1 156 no PDB 3SG4 . "Crystal Structure Of Gcamp3-d380y, Lp(linker 2)" . . . . . 100.00 448 98.65 98.65 1.68e-94 . . . . 7416 1 157 no PDB 3SG5 . "Crystal Structure Of Dimeric Gcamp3-d380y, Qp(linker 1), Lp(linker 2)" . . . . . 100.00 448 98.65 98.65 1.25e-94 . . . . 7416 1 158 no PDB 3SG6 . "Crystal Structure Of Dimeric Gcamp2-lia(linker 1)" . . . . . 99.32 450 99.32 100.00 4.09e-95 . . . . 7416 1 159 no PDB 3SG7 . "Crystal Structure Of Gcamp3-kf(linker 1)" . . . . . 99.32 448 100.00 100.00 1.37e-95 . . . . 7416 1 160 no PDB 3SJQ . "Crystal Structure Of A Small Conductance Potassium Channel Splice Variant Complexed With Calcium-Calmodulin" . . . . . 100.00 149 99.32 100.00 2.64e-99 . . . . 7416 1 161 no PDB 3SUI . "Crystal Structure Of Ca2+-Calmodulin In Complex With A Trpv1 C- Terminal Peptide" . . . . . 100.00 149 99.32 100.00 2.64e-99 . . . . 7416 1 162 no PDB 3U0K . "Crystal Structure Of The Genetically Encoded Calcium Indicator Rcamp" . . . . . 99.32 440 99.32 99.32 3.86e-95 . . . . 7416 1 163 no PDB 3WFN . "Crystal Structure Of Nav1.6 Iq Motif In Complex With Apo-cam" . . . . . 100.00 182 99.32 100.00 3.10e-99 . . . . 7416 1 164 no PDB 4ANJ . "Myosin Vi (Mdinsert2-Gfp Fusion) Pre-Powerstroke State (Mg.Adp.Alf4)" . . . . . 100.00 149 97.30 99.32 3.48e-97 . . . . 7416 1 165 no PDB 4BW7 . "Calmodulin In Complex With Strontium" . . . . . 100.00 149 99.32 100.00 2.64e-99 . . . . 7416 1 166 no PDB 4BW8 . "Calmodulin With Small Bend In Central Helix" . . . . . 100.00 149 99.32 100.00 2.64e-99 . . . . 7416 1 167 no PDB 4BYF . "Crystal Structure Of Human Myosin 1c In Complex With Calmodulin In The Pre-power Stroke State" . . . . . 100.00 149 99.32 100.00 2.64e-99 . . . . 7416 1 168 no PDB 4CLN . "Structure Of A Recombinant Calmodulin From Drosophila Melanogaster Refined At 2.2-Angstroms Resolution" . . . . . 100.00 148 97.30 99.32 3.26e-97 . . . . 7416 1 169 no PDB 4DBP . "Myosin Vi Nucleotide-free (mdinsert2) D179y Crystal Structure" . . . . . 100.00 149 97.30 99.32 3.48e-97 . . . . 7416 1 170 no PDB 4DBQ . "Myosin Vi D179y (md-insert2-cam, Delta-insert1) Post-rigor State" . . . . . 100.00 149 97.30 99.32 3.48e-97 . . . . 7416 1 171 no PDB 4DCK . "Crystal Structure Of The C-Terminus Of Voltage-Gated Sodium Channel In Complex With Fgf13 And Cam" . . . . . 100.00 149 99.32 100.00 2.64e-99 . . . . 7416 1 172 no PDB 4DJC . "1.35 A Crystal Structure Of The Nav1.5 Diii-Iv-CaCAM COMPLEX" . . . . . 100.00 152 99.32 100.00 1.46e-99 . . . . 7416 1 173 no PDB 4E50 . "Calmodulin And Ng Peptide Complex" . . . . . 100.00 185 99.32 100.00 1.30e-99 . . . . 7416 1 174 no PDB 4EHQ . "Crystal Structure Of Calmodulin Binding Domain Of Orai1 In Complex With Ca2+CALMODULIN DISPLAYS A UNIQUE BINDING MODE" . . . . . 100.00 148 99.32 100.00 2.26e-99 . . . . 7416 1 175 no PDB 4G27 . "Calcium-Calmodulin Complexed With The Calmodulin Binding Domain From A Small Conductance Potassium Channel Splice Variant And P" . . . . . 100.00 149 99.32 100.00 2.64e-99 . . . . 7416 1 176 no PDB 4G28 . "Calcium-Calmodulin Complexed With The Calmodulin Binding Domain From A Small Conductance Potassium Channel Splice Variant And E" . . . . . 100.00 149 99.32 100.00 2.64e-99 . . . . 7416 1 177 no PDB 4HEX . "A Novel Conformation Of Calmodulin" . . . . . 100.00 156 99.32 100.00 1.01e-99 . . . . 7416 1 178 no PDB 4IK1 . "High Resolution Structure Of Gcampj At Ph 8.5" . . . . . 99.32 448 99.32 99.32 1.91e-94 . . . . 7416 1 179 no PDB 4IK3 . "High Resolution Structure Of Gcamp3 At Ph 8.5" . . . . . 99.32 448 100.00 100.00 1.46e-95 . . . . 7416 1 180 no PDB 4IK4 . "High Resolution Structure Of Gcamp3 At Ph 5.0" . . . . . 99.32 448 100.00 100.00 1.46e-95 . . . . 7416 1 181 no PDB 4IK5 . "High Resolution Structure Of Delta-rest-gcamp3" . . . . . 99.32 414 100.00 100.00 5.40e-96 . . . . 7416 1 182 no PDB 4IK8 . "High Resolution Structure Of Gcamp3 Dimer Form 1 At Ph 7.5" . . . . . 99.32 448 100.00 100.00 1.46e-95 . . . . 7416 1 183 no PDB 4IK9 . "High Resolution Structure Of Gcamp3 Dimer Form 2 At Ph 7.5" . . . . . 99.32 448 100.00 100.00 1.46e-95 . . . . 7416 1 184 no PDB 4J9Y . "Calcium-calmodulin Complexed With The Calmodulin Binding Domain From A Small Conductance Potassium Channel Splice Variant" . . . . . 100.00 149 99.32 100.00 2.64e-99 . . . . 7416 1 185 no PDB 4J9Z . "Calcium-calmodulin Complexed With The Calmodulin Binding Domain From A Small Conductance Potassium Channel Splice Variant And N" . . . . . 100.00 149 99.32 100.00 2.64e-99 . . . . 7416 1 186 no PDB 4JPZ . "Voltage-gated Sodium Channel 1.2 C-terminal Domain In Complex With Fgf13u And Ca2+/calmodulin" . . . . . 100.00 149 99.32 100.00 2.64e-99 . . . . 7416 1 187 no PDB 4JQ0 . "Voltage-gated Sodium Channel 1.5 C-terminal Domain In Complex With Fgf12b And Ca2+/calmodulin" . . . . . 100.00 149 99.32 100.00 2.64e-99 . . . . 7416 1 188 no PDB 4L79 . "Crystal Structure Of Nucleotide-free Myosin 1b Residues 1-728 With Bound Calmodulin" . . . . . 100.00 149 99.32 100.00 2.64e-99 . . . . 7416 1 189 no PDB 4LZX . "Complex Of Iqcg And Ca2+-free Cam" . . . . . 100.00 148 99.32 100.00 2.26e-99 . . . . 7416 1 190 no PDB 4M1L . "Complex Of Iqcg And Ca2+-bound Cam" . . . . . 100.00 148 99.32 100.00 2.26e-99 . . . . 7416 1 191 no PDB 4Q5U . "Structure Of Calmodulin Bound To Its Recognition Site From Calcineurin" . . . . . 100.00 149 99.32 100.00 2.64e-99 . . . . 7416 1 192 no PDB 4QNH . "Calcium-calmodulin (t79d) Complexed With The Calmodulin Binding Domain From A Small Conductance Potassium Channel Sk2-a" . . . . . 100.00 149 98.65 99.32 3.55e-98 . . . . 7416 1 193 no PDB 4R8G . "Crystal Structure Of Myosin-1c Tail In Complex With Calmodulin" . . . . . 100.00 148 99.32 100.00 2.26e-99 . . . . 7416 1 194 no PDB 4UMO . "Crystal Structure Of The Kv7.1 Proximal C-terminal Domain In Complex With Calmodulin" . . . . . 100.00 149 99.32 100.00 2.64e-99 . . . . 7416 1 195 no PDB 4UPU . "Crystal Structure Of Ip3 3-k Calmodulin Binding Region In Complex With Calmodulin" . . . . . 100.00 148 99.32 100.00 2.26e-99 . . . . 7416 1 196 no PDB 4V0C . "Crystal Structure Of The Kv7.1 Proximal C-terminal Domain In Complex With Calmodulin" . . . . . 100.00 149 99.32 100.00 2.64e-99 . . . . 7416 1 197 no DBJ BAA08302 . "calmodulin [Homo sapiens]" . . . . . 100.00 149 99.32 100.00 2.64e-99 . . . . 7416 1 198 no DBJ BAA11896 . "calmodulin [Anas platyrhynchos]" . . . . . 100.00 149 99.32 100.00 2.64e-99 . . . . 7416 1 199 no DBJ BAA19786 . "calmodulin [Branchiostoma lanceolatum]" . . . . . 100.00 149 97.30 99.32 3.48e-97 . . . . 7416 1 200 no DBJ BAA19787 . "calmodulin [Branchiostoma floridae]" . . . . . 100.00 149 97.30 99.32 3.48e-97 . . . . 7416 1 201 no DBJ BAA19788 . "calmodulin [Halocynthia roretzi]" . . . . . 100.00 149 97.30 99.32 3.48e-97 . . . . 7416 1 202 no EMBL CAA10601 . "calmodulin [Caenorhabditis elegans]" . . . . . 100.00 149 97.30 98.65 7.98e-97 . . . . 7416 1 203 no EMBL CAA32050 . "calmodulin [Rattus norvegicus]" . . . . . 100.00 149 99.32 100.00 2.64e-99 . . . . 7416 1 204 no EMBL CAA32062 . "calmodulin II [Rattus norvegicus]" . . . . . 100.00 149 99.32 100.00 2.64e-99 . . . . 7416 1 205 no EMBL CAA32119 . "calmodulin [Rattus norvegicus]" . . . . . 100.00 149 99.32 100.00 2.64e-99 . . . . 7416 1 206 no EMBL CAA32120 . "calmodulin [Rattus norvegicus]" . . . . . 100.00 149 99.32 100.00 2.64e-99 . . . . 7416 1 207 no GB AAA35635 . "calmodulin [Homo sapiens]" . . . . . 100.00 149 99.32 100.00 2.64e-99 . . . . 7416 1 208 no GB AAA35641 . "calmodulin [Homo sapiens]" . . . . . 100.00 149 99.32 100.00 2.64e-99 . . . . 7416 1 209 no GB AAA37365 . "calmodulin synthesis [Mus musculus]" . . . . . 100.00 149 99.32 100.00 2.64e-99 . . . . 7416 1 210 no GB AAA40862 . "calmodulin [Rattus norvegicus]" . . . . . 100.00 149 99.32 100.00 2.64e-99 . . . . 7416 1 211 no GB AAA40863 . "calmodulin [Rattus norvegicus]" . . . . . 100.00 149 99.32 100.00 2.64e-99 . . . . 7416 1 212 no PIR JC1305 . "calmodulin - Japanese medaka" . . . . . 100.00 149 99.32 100.00 2.64e-99 . . . . 7416 1 213 no PIR MCON . "calmodulin - salmon" . . . . . 100.00 148 99.32 100.00 2.26e-99 . . . . 7416 1 214 no PRF 0608335A . calmodulin . . . . . 100.00 148 98.65 99.32 7.13e-98 . . . . 7416 1 215 no PRF 0711223A . calmodulin . . . . . 100.00 148 97.30 99.32 6.77e-97 . . . . 7416 1 216 no REF NP_001008160 . "calmodulin 2 (phosphorylase kinase, delta) [Xenopus (Silurana) tropicalis]" . . . . . 100.00 149 99.32 100.00 2.64e-99 . . . . 7416 1 217 no REF NP_001009759 . "calmodulin [Ovis aries]" . . . . . 100.00 149 99.32 100.00 2.64e-99 . . . . 7416 1 218 no REF NP_001039714 . "calmodulin [Bos taurus]" . . . . . 100.00 149 99.32 100.00 2.64e-99 . . . . 7416 1 219 no REF NP_001040234 . "calmodulin [Bombyx mori]" . . . . . 100.00 149 97.30 99.32 3.48e-97 . . . . 7416 1 220 no REF NP_001080864 . "calmodulin [Xenopus laevis]" . . . . . 100.00 149 99.32 100.00 2.64e-99 . . . . 7416 1 221 no SP O16305 . "RecName: Full=Calmodulin; Short=CaM [Caenorhabditis elegans]" . . . . . 100.00 149 97.30 98.65 7.98e-97 . . . . 7416 1 222 no SP P02594 . "RecName: Full=Calmodulin; Short=CaM [Electrophorus electricus]" . . . . . 100.00 149 98.65 100.00 8.96e-99 . . . . 7416 1 223 no SP P02595 . "RecName: Full=Calmodulin; Short=CaM [Patinopecten sp.]" . . . . . 100.00 149 97.30 99.32 9.40e-97 . . . . 7416 1 224 no SP P11121 . "RecName: Full=Calmodulin; Short=CaM [Pyuridae gen. sp.]" . . . . . 100.00 149 97.97 99.32 1.05e-97 . . . . 7416 1 225 no SP P21251 . "RecName: Full=Calmodulin; Short=CaM [Apostichopus japonicus]" . . . . . 100.00 149 97.97 99.32 6.40e-98 . . . . 7416 1 226 no TPG DAA13808 . "TPA: calmodulin 2-like [Bos taurus]" . . . . . 100.00 216 97.97 98.65 1.23e-97 . . . . 7416 1 227 no TPG DAA18029 . "TPA: calmodulin [Bos taurus]" . . . . . 100.00 149 97.97 99.32 4.71e-98 . . . . 7416 1 228 no TPG DAA19590 . "TPA: calmodulin 3 [Bos taurus]" . . . . . 100.00 149 99.32 100.00 2.64e-99 . . . . 7416 1 229 no TPG DAA24777 . "TPA: calmodulin 2-like [Bos taurus]" . . . . . 100.00 149 99.32 100.00 2.64e-99 . . . . 7416 1 230 no TPG DAA24988 . "TPA: calmodulin 2-like isoform 1 [Bos taurus]" . . . . . 100.00 149 99.32 100.00 2.64e-99 . . . . 7416 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 . 7416 1 2 . ASP . 7416 1 3 . GLN . 7416 1 4 . LEU . 7416 1 5 . THR . 7416 1 6 . GLU . 7416 1 7 . GLU . 7416 1 8 . GLN . 7416 1 9 . ILE . 7416 1 10 . ALA . 7416 1 11 . GLU . 7416 1 12 . PHE . 7416 1 13 . LYS . 7416 1 14 . GLU . 7416 1 15 . ALA . 7416 1 16 . PHE . 7416 1 17 . SER . 7416 1 18 . LEU . 7416 1 19 . PHE . 7416 1 20 . ASP . 7416 1 21 . LYS . 7416 1 22 . ASP . 7416 1 23 . GLY . 7416 1 24 . ASP . 7416 1 25 . GLY . 7416 1 26 . THR . 7416 1 27 . ILE . 7416 1 28 . THR . 7416 1 29 . THR . 7416 1 30 . LYS . 7416 1 31 . GLU . 7416 1 32 . LEU . 7416 1 33 . GLY . 7416 1 34 . THR . 7416 1 35 . VAL . 7416 1 36 . MET . 7416 1 37 . ARG . 7416 1 38 . SER . 7416 1 39 . LEU . 7416 1 40 . GLY . 7416 1 41 . GLN . 7416 1 42 . ASN . 7416 1 43 . PRO . 7416 1 44 . THR . 7416 1 45 . GLU . 7416 1 46 . ALA . 7416 1 47 . GLU . 7416 1 48 . LEU . 7416 1 49 . GLN . 7416 1 50 . ASP . 7416 1 51 . MET . 7416 1 52 . ILE . 7416 1 53 . ASN . 7416 1 54 . GLU . 7416 1 55 . VAL . 7416 1 56 . ASP . 7416 1 57 . ALA . 7416 1 58 . ASP . 7416 1 59 . GLY . 7416 1 60 . ASP . 7416 1 61 . GLY . 7416 1 62 . THR . 7416 1 63 . ILE . 7416 1 64 . ASP . 7416 1 65 . PHE . 7416 1 66 . PRO . 7416 1 67 . GLU . 7416 1 68 . PHE . 7416 1 69 . LEU . 7416 1 70 . THR . 7416 1 71 . MET . 7416 1 72 . MET . 7416 1 73 . ALA . 7416 1 74 . ARG . 7416 1 75 . LYS . 7416 1 76 . MET . 7416 1 77 . LYS . 7416 1 78 . ASP . 7416 1 79 . THR . 7416 1 80 . ASP . 7416 1 81 . SER . 7416 1 82 . GLU . 7416 1 83 . GLU . 7416 1 84 . GLU . 7416 1 85 . ILE . 7416 1 86 . ARG . 7416 1 87 . GLU . 7416 1 88 . ALA . 7416 1 89 . PHE . 7416 1 90 . ARG . 7416 1 91 . VAL . 7416 1 92 . PHE . 7416 1 93 . ASP . 7416 1 94 . LYS . 7416 1 95 . ASP . 7416 1 96 . GLY . 7416 1 97 . ASN . 7416 1 98 . GLY . 7416 1 99 . TYR . 7416 1 100 . ILE . 7416 1 101 . SER . 7416 1 102 . ALA . 7416 1 103 . ALA . 7416 1 104 . GLU . 7416 1 105 . LEU . 7416 1 106 . ARG . 7416 1 107 . HIS . 7416 1 108 . VAL . 7416 1 109 . MET . 7416 1 110 . THR . 7416 1 111 . ASN . 7416 1 112 . LEU . 7416 1 113 . GLY . 7416 1 114 . GLU . 7416 1 115 . LYS . 7416 1 116 . LEU . 7416 1 117 . THR . 7416 1 118 . ASP . 7416 1 119 . GLU . 7416 1 120 . GLU . 7416 1 121 . VAL . 7416 1 122 . ASP . 7416 1 123 . GLU . 7416 1 124 . MET . 7416 1 125 . ILE . 7416 1 126 . ARG . 7416 1 127 . GLU . 7416 1 128 . ALA . 7416 1 129 . ASP . 7416 1 130 . ILE . 7416 1 131 . ASP . 7416 1 132 . GLY . 7416 1 133 . ASP . 7416 1 134 . GLY . 7416 1 135 . GLN . 7416 1 136 . VAL . 7416 1 137 . ASN . 7416 1 138 . TYR . 7416 1 139 . GLU . 7416 1 140 . GLU . 7416 1 141 . PHE . 7416 1 142 . VAL . 7416 1 143 . GLN . 7416 1 144 . MET . 7416 1 145 . MET . 7416 1 146 . THR . 7416 1 147 . ALA . 7416 1 148 . LYS . 7416 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 7416 1 . ASP 2 2 7416 1 . GLN 3 3 7416 1 . LEU 4 4 7416 1 . THR 5 5 7416 1 . GLU 6 6 7416 1 . GLU 7 7 7416 1 . GLN 8 8 7416 1 . ILE 9 9 7416 1 . ALA 10 10 7416 1 . GLU 11 11 7416 1 . PHE 12 12 7416 1 . LYS 13 13 7416 1 . GLU 14 14 7416 1 . ALA 15 15 7416 1 . PHE 16 16 7416 1 . SER 17 17 7416 1 . LEU 18 18 7416 1 . PHE 19 19 7416 1 . ASP 20 20 7416 1 . LYS 21 21 7416 1 . ASP 22 22 7416 1 . GLY 23 23 7416 1 . ASP 24 24 7416 1 . GLY 25 25 7416 1 . THR 26 26 7416 1 . ILE 27 27 7416 1 . THR 28 28 7416 1 . THR 29 29 7416 1 . LYS 30 30 7416 1 . GLU 31 31 7416 1 . LEU 32 32 7416 1 . GLY 33 33 7416 1 . THR 34 34 7416 1 . VAL 35 35 7416 1 . MET 36 36 7416 1 . ARG 37 37 7416 1 . SER 38 38 7416 1 . LEU 39 39 7416 1 . GLY 40 40 7416 1 . GLN 41 41 7416 1 . ASN 42 42 7416 1 . PRO 43 43 7416 1 . THR 44 44 7416 1 . GLU 45 45 7416 1 . ALA 46 46 7416 1 . GLU 47 47 7416 1 . LEU 48 48 7416 1 . GLN 49 49 7416 1 . ASP 50 50 7416 1 . MET 51 51 7416 1 . ILE 52 52 7416 1 . ASN 53 53 7416 1 . GLU 54 54 7416 1 . VAL 55 55 7416 1 . ASP 56 56 7416 1 . ALA 57 57 7416 1 . ASP 58 58 7416 1 . GLY 59 59 7416 1 . ASP 60 60 7416 1 . GLY 61 61 7416 1 . THR 62 62 7416 1 . ILE 63 63 7416 1 . ASP 64 64 7416 1 . PHE 65 65 7416 1 . PRO 66 66 7416 1 . GLU 67 67 7416 1 . PHE 68 68 7416 1 . LEU 69 69 7416 1 . THR 70 70 7416 1 . MET 71 71 7416 1 . MET 72 72 7416 1 . ALA 73 73 7416 1 . ARG 74 74 7416 1 . LYS 75 75 7416 1 . MET 76 76 7416 1 . LYS 77 77 7416 1 . ASP 78 78 7416 1 . THR 79 79 7416 1 . ASP 80 80 7416 1 . SER 81 81 7416 1 . GLU 82 82 7416 1 . GLU 83 83 7416 1 . GLU 84 84 7416 1 . ILE 85 85 7416 1 . ARG 86 86 7416 1 . GLU 87 87 7416 1 . ALA 88 88 7416 1 . PHE 89 89 7416 1 . ARG 90 90 7416 1 . VAL 91 91 7416 1 . PHE 92 92 7416 1 . ASP 93 93 7416 1 . LYS 94 94 7416 1 . ASP 95 95 7416 1 . GLY 96 96 7416 1 . ASN 97 97 7416 1 . GLY 98 98 7416 1 . TYR 99 99 7416 1 . ILE 100 100 7416 1 . SER 101 101 7416 1 . ALA 102 102 7416 1 . ALA 103 103 7416 1 . GLU 104 104 7416 1 . LEU 105 105 7416 1 . ARG 106 106 7416 1 . HIS 107 107 7416 1 . VAL 108 108 7416 1 . MET 109 109 7416 1 . THR 110 110 7416 1 . ASN 111 111 7416 1 . LEU 112 112 7416 1 . GLY 113 113 7416 1 . GLU 114 114 7416 1 . LYS 115 115 7416 1 . LEU 116 116 7416 1 . THR 117 117 7416 1 . ASP 118 118 7416 1 . GLU 119 119 7416 1 . GLU 120 120 7416 1 . VAL 121 121 7416 1 . ASP 122 122 7416 1 . GLU 123 123 7416 1 . MET 124 124 7416 1 . ILE 125 125 7416 1 . ARG 126 126 7416 1 . GLU 127 127 7416 1 . ALA 128 128 7416 1 . ASP 129 129 7416 1 . ILE 130 130 7416 1 . ASP 131 131 7416 1 . GLY 132 132 7416 1 . ASP 133 133 7416 1 . GLY 134 134 7416 1 . GLN 135 135 7416 1 . VAL 136 136 7416 1 . ASN 137 137 7416 1 . TYR 138 138 7416 1 . GLU 139 139 7416 1 . GLU 140 140 7416 1 . PHE 141 141 7416 1 . VAL 142 142 7416 1 . GLN 143 143 7416 1 . MET 144 144 7416 1 . MET 145 145 7416 1 . THR 146 146 7416 1 . ALA 147 147 7416 1 . LYS 148 148 7416 1 stop_ save_ save_CA _Entity.Sf_category entity _Entity.Sf_framecode CA _Entity.Entry_ID 7416 _Entity.ID 2 _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 2 _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 . 7416 2 stop_ save_ save_TB _Entity.Sf_category entity _Entity.Sf_framecode TB _Entity.Entry_ID 7416 _Entity.ID 3 _Entity.BMRB_code . _Entity.Name TB _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 TB _Entity.Nonpolymer_comp_label $chem_comp_TB _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 . TB . 7416 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 7416 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Subvariant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $calmodulin . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 7416 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 7416 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $calmodulin . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . pET16b-CaM . . . . . . 7416 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 7416 _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 no _Chem_comp.Initial_date 1999-07-08 _Chem_comp.Modified_date 2011-06-04 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code CA _Chem_comp.Number_atoms_all . _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 Wed Sep 28 15:49:39 2011 ; _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_descriptor.Descriptor _Chem_comp_descriptor.Type _Chem_comp_descriptor.Program _Chem_comp_descriptor.Program_version _Chem_comp_descriptor.Entry_ID _Chem_comp_descriptor.Comp_ID BHPQYMZQTOCNFJ-UHFFFAOYSA-N InChIKey InChI 1.03 7416 CA [Ca++] SMILES CACTVS 3.341 7416 CA [Ca++] SMILES_CANONICAL CACTVS 3.341 7416 CA [Ca+2] SMILES ACDLabs 10.04 7416 CA [Ca+2] SMILES 'OpenEye OEToolkits' 1.5.0 7416 CA [Ca+2] SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 7416 CA InChI=1S/Ca/q+2 InChI InChI 1.03 7416 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 7416 CA 'calcium(+2) cation' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 7416 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 . . . . no no . . . . 0.000 . 0.000 . 0.000 . 0.000 0.000 0.000 1 . 7416 CA stop_ save_ save_chem_comp_TB _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_TB _Chem_comp.Entry_ID 7416 _Chem_comp.ID TB _Chem_comp.Provenance . _Chem_comp.Name 'TERBIUM(III) ION' _Chem_comp.Type non-polymer _Chem_comp.BMRB_code . _Chem_comp.PDB_code TB _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 1999-07-08 _Chem_comp.Modified_date 2011-06-04 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code TB _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 3 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic no _Chem_comp.Formula Tb _Chem_comp.Formula_weight 158.925 _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 PDBJ _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 Wed Sep 28 15:50:22 2011 ; _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 HKCRVXUAKWXBLE-UHFFFAOYSA-N InChIKey InChI 1.03 7416 TB InChI=1S/Tb/q+3 InChI InChI 1.03 7416 TB [Tb+3] SMILES ACDLabs 10.04 7416 TB [Tb+3] SMILES CACTVS 3.341 7416 TB [Tb+3] SMILES 'OpenEye OEToolkits' 1.5.0 7416 TB [Tb+3] SMILES_CANONICAL CACTVS 3.341 7416 TB [Tb+3] SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 7416 TB 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 terbium(3+) 'SYSTEMATIC NAME' ACDLabs 10.04 7416 TB 'terbium(+3) cation' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 7416 TB 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 TB . TB . . TB . . N 3 . . . . no no . . . . 0.000 . 0.000 . 0.000 . 0.000 0.000 0.000 1 . 7416 TB stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 7416 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _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 calmodulin '[U-100% 13C; U-100% 15N]' 1 $assembly . . . . 0.4 . . mM . . . . 7416 1 2 Hepes . . . . . . . 30 . . mM . . . . 7416 1 3 NaCl . . . . . . . 150 . . mM . . . . 7416 1 4 TCEP . . . . . . . 0.5 . . mM . . . . 7416 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 7416 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _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 calmodulin '[U-100% 15N]' 1 $assembly . . . . 0.4 . . mM . . . . 7416 2 2 Hepes . . . . . . . 30 . . mM . . . . 7416 2 3 NaCl . . . . . . . 150 . . mM . . . . 7416 2 4 TCEP . . . . . . . 0.5 . . mM . . . . 7416 2 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 7416 _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' 0.15 . M 7416 1 pH 7.5 . pH 7416 1 pressure 1 . atm 7416 1 temperature 298 . K 7416 1 stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 7416 _Software.ID 1 _Software.Name TOPSPIN _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 7416 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 7416 1 processing 7416 1 stop_ save_ save_CARA _Software.Sf_category software _Software.Sf_framecode CARA _Software.Entry_ID 7416 _Software.ID 2 _Software.Name CARA _Software.Version 2.0 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Keller and Wuthrich' . . 7416 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 7416 2 stop_ save_ save_X-PLOR_NIH _Software.Sf_category software _Software.Sf_framecode X-PLOR_NIH _Software.Entry_ID 7416 _Software.ID 3 _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' . . 7416 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 7416 3 'structure solution' 7416 3 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 7416 _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_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 7416 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 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 7416 _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 . . . 7416 1 2 spectrometer_2 Bruker Avance . 700 . . . 7416 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 7416 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 7416 1 2 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 7416 1 3 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 7416 1 4 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 7416 1 5 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 7416 1 6 IPAP no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 7416 1 7 '15N relaxation measurement R1' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 7416 1 8 '15N relaxation measurement R2' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 7416 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 7416 _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 dioxane 'methyl carbon' . . . . ppm 69.46 external direct 1.0 . . . . . . . . . 7416 1 H 1 DSS 'methyl protons' . . . . ppm 0 external direct 1.0 . . . . . . . . . 7416 1 N 15 DSS 'methyl protons' . . . . ppm 0 external indirect 0.101329118 . . . . . . . . . 7416 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_TbCa3CaM _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode TbCa3CaM _Assigned_chem_shift_list.Entry_ID 7416 _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 0.01 _Assigned_chem_shift_list.Chem_shift_13C_err 0.2 _Assigned_chem_shift_list.Chem_shift_15N_err 0.2 _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' . . . 7416 1 2 '3D HNCO' . . . 7416 1 3 '3D HNCA' . . . 7416 1 4 '3D CBCA(CO)NH' . . . 7416 1 5 '3D HN(CO)CA' . . . 7416 1 6 IPAP . . . 7416 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $TOPSPIN . . 7416 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 2 2 ASP H H 1 8.896 0.01 . 1 . . . . 2 D HN . 7416 1 2 . 1 1 2 2 ASP C C 13 176.327 0.2 . 1 . . . . 2 D C . 7416 1 3 . 1 1 2 2 ASP CA C 13 55.163 0.2 . 1 . . . . 2 D CA . 7416 1 4 . 1 1 2 2 ASP CB C 13 40.736 0.2 . 1 . . . . 2 D CB . 7416 1 5 . 1 1 2 2 ASP N N 15 118.164 0.2 . 1 . . . . 2 D N . 7416 1 6 . 1 1 3 3 GLN H H 1 8.751 0.01 . 1 . . . . 3 Q HN . 7416 1 7 . 1 1 3 3 GLN C C 13 175.927 0.2 . 1 . . . . 3 Q C . 7416 1 8 . 1 1 3 3 GLN CA C 13 55.486 0.2 . 1 . . . . 3 Q CA . 7416 1 9 . 1 1 3 3 GLN CB C 13 29.447 0.2 . 1 . . . . 3 Q CB . 7416 1 10 . 1 1 3 3 GLN N N 15 118.87 0.2 . 1 . . . . 3 Q N . 7416 1 11 . 1 1 4 4 LEU H H 1 9.194 0.01 . 1 . . . . 4 L HN . 7416 1 12 . 1 1 4 4 LEU C C 13 178.127 0.2 . 1 . . . . 4 L C . 7416 1 13 . 1 1 4 4 LEU CA C 13 54.594 0.2 . 1 . . . . 4 L CA . 7416 1 14 . 1 1 4 4 LEU CB C 13 44.023 0.2 . 1 . . . . 4 L CB . 7416 1 15 . 1 1 4 4 LEU N N 15 122.998 0.2 . 1 . . . . 4 L N . 7416 1 16 . 1 1 5 5 THR H H 1 9.805 0.01 . 1 . . . . 5 T HN . 7416 1 17 . 1 1 5 5 THR C C 13 176.027 0.2 . 1 . . . . 5 T C . 7416 1 18 . 1 1 5 5 THR CA C 13 60.755 0.2 . 1 . . . . 5 T CA . 7416 1 19 . 1 1 5 5 THR CB C 13 71.52 0.2 . 1 . . . . 5 T CB . 7416 1 20 . 1 1 5 5 THR N N 15 114.041 0.2 . 1 . . . . 5 T N . 7416 1 21 . 1 1 6 6 GLU H H 1 10.187 0.01 . 1 . . . . 6 E HN . 7416 1 22 . 1 1 6 6 GLU C C 13 180.227 0.2 . 1 . . . . 6 E C . 7416 1 23 . 1 1 6 6 GLU CA C 13 58.308 0.2 . 1 . . . . 6 E CA . 7416 1 24 . 1 1 6 6 GLU CB C 13 29.642 0.2 . 1 . . . . 6 E CB . 7416 1 25 . 1 1 6 6 GLU N N 15 121.635 0.2 . 1 . . . . 6 E N . 7416 1 26 . 1 1 7 7 GLU H H 1 9.718 0.01 . 1 . . . . 7 E HN . 7416 1 27 . 1 1 7 7 GLU C C 13 179.527 0.2 . 1 . . . . 7 E C . 7416 1 28 . 1 1 7 7 GLU CA C 13 60.325 0.2 . 1 . . . . 7 E CA . 7416 1 29 . 1 1 7 7 GLU CB C 13 29.182 0.2 . 1 . . . . 7 E CB . 7416 1 30 . 1 1 7 7 GLU N N 15 120.772 0.2 . 1 . . . . 7 E N . 7416 1 31 . 1 1 8 8 GLN H H 1 8.86 0.01 . 1 . . . . 8 Q HN . 7416 1 32 . 1 1 8 8 GLN C C 13 179.027 0.2 . 1 . . . . 8 Q C . 7416 1 33 . 1 1 8 8 GLN CA C 13 57.195 0.2 . 1 . . . . 8 Q CA . 7416 1 34 . 1 1 8 8 GLN CB C 13 28.229 0.2 . 1 . . . . 8 Q CB . 7416 1 35 . 1 1 8 8 GLN N N 15 121.015 0.2 . 1 . . . . 8 Q N . 7416 1 36 . 1 1 9 9 ILE H H 1 10.143 0.01 . 1 . . . . 9 I HN . 7416 1 37 . 1 1 9 9 ILE C C 13 179.627 0.2 . 1 . . . . 9 I C . 7416 1 38 . 1 1 9 9 ILE CA C 13 68.184 0.2 . 1 . . . . 9 I CA . 7416 1 39 . 1 1 9 9 ILE CB C 13 40.078 0.2 . 1 . . . . 9 I CB . 7416 1 40 . 1 1 9 9 ILE N N 15 121.145 0.2 . 1 . . . . 9 I N . 7416 1 41 . 1 1 10 10 ALA H H 1 9.901 0.01 . 1 . . . . 10 A HN . 7416 1 42 . 1 1 10 10 ALA C C 13 182.327 0.2 . 1 . . . . 10 A C . 7416 1 43 . 1 1 10 10 ALA CA C 13 56.761 0.2 . 1 . . . . 10 A CA . 7416 1 44 . 1 1 10 10 ALA CB C 13 18.6 0.2 . 1 . . . . 10 A CB . 7416 1 45 . 1 1 10 10 ALA N N 15 123.323 0.2 . 1 . . . . 10 A N . 7416 1 46 . 1 1 11 11 GLU H H 1 9.34 0.01 . 1 . . . . 11 E HN . 7416 1 47 . 1 1 11 11 GLU C C 13 181.327 0.2 . 1 . . . . 11 E C . 7416 1 48 . 1 1 11 11 GLU CA C 13 59.972 0.2 . 1 . . . . 11 E CA . 7416 1 49 . 1 1 11 11 GLU CB C 13 29.495 0.2 . 1 . . . . 11 E CB . 7416 1 50 . 1 1 11 11 GLU N N 15 121.34 0.2 . 1 . . . . 11 E N . 7416 1 51 . 1 1 12 12 PHE H H 1 10.536 0.01 . 1 . . . . 12 F HN . 7416 1 52 . 1 1 12 12 PHE C C 13 180.727 0.2 . 1 . . . . 12 F C . 7416 1 53 . 1 1 12 12 PHE CA C 13 59.292 0.2 . 1 . . . . 12 F CA . 7416 1 54 . 1 1 12 12 PHE CB C 13 38.25 0.2 . 1 . . . . 12 F CB . 7416 1 55 . 1 1 12 12 PHE N N 15 121.969 0.2 . 1 . . . . 12 F N . 7416 1 56 . 1 1 13 13 LYS H H 1 12.031 0.01 . 1 . . . . 13 K HN . 7416 1 57 . 1 1 13 13 LYS C C 13 181.027 0.2 . 1 . . . . 13 K C . 7416 1 58 . 1 1 13 13 LYS CA C 13 62.612 0.2 . 1 . . . . 13 K CA . 7416 1 59 . 1 1 13 13 LYS CB C 13 34.534 0.2 . 1 . . . . 13 K CB . 7416 1 60 . 1 1 13 13 LYS N N 15 127.056 0.2 . 1 . . . . 13 K N . 7416 1 61 . 1 1 14 14 GLU H H 1 9.673 0.01 . 1 . . . . 14 E HN . 7416 1 62 . 1 1 14 14 GLU C C 13 180.127 0.2 . 1 . . . . 14 E C . 7416 1 63 . 1 1 14 14 GLU CA C 13 60.34 0.2 . 1 . . . . 14 E CA . 7416 1 64 . 1 1 14 14 GLU CB C 13 29.809 0.2 . 1 . . . . 14 E CB . 7416 1 65 . 1 1 14 14 GLU N N 15 121.912 0.2 . 1 . . . . 14 E N . 7416 1 66 . 1 1 15 15 ALA H H 1 9.091 0.01 . 1 . . . . 15 A HN . 7416 1 67 . 1 1 15 15 ALA C C 13 178.127 0.2 . 1 . . . . 15 A C . 7416 1 68 . 1 1 15 15 ALA CA C 13 55.163 0.2 . 1 . . . . 15 A CA . 7416 1 69 . 1 1 15 15 ALA CB C 13 16.769 0.2 . 1 . . . . 15 A CB . 7416 1 70 . 1 1 15 15 ALA N N 15 122.714 0.2 . 1 . . . . 15 A N . 7416 1 71 . 1 1 16 16 PHE H H 1 10.795 0.01 . 1 . . . . 16 F HN . 7416 1 72 . 1 1 16 16 PHE C C 13 178.527 0.2 . 1 . . . . 16 F C . 7416 1 73 . 1 1 16 16 PHE CA C 13 63.323 0.2 . 1 . . . . 16 F CA . 7416 1 74 . 1 1 16 16 PHE CB C 13 43.02 0.2 . 1 . . . . 16 F CB . 7416 1 75 . 1 1 16 16 PHE N N 15 120.654 0.2 . 1 . . . . 16 F N . 7416 1 76 . 1 1 17 17 SER H H 1 10.273 0.01 . 1 . . . . 17 S HN . 7416 1 77 . 1 1 17 17 SER C C 13 174.527 0.2 . 1 . . . . 17 S C . 7416 1 78 . 1 1 17 17 SER CA C 13 62.496 0.2 . 1 . . . . 17 S CA . 7416 1 79 . 1 1 17 17 SER CB C 13 64.329 0.2 . 1 . . . . 17 S CB . 7416 1 80 . 1 1 17 17 SER N N 15 114.573 0.2 . 1 . . . . 17 S N . 7416 1 81 . 1 1 18 18 LEU H H 1 7.744 0.01 . 1 . . . . 18 L HN . 7416 1 82 . 1 1 18 18 LEU C C 13 177.227 0.2 . 1 . . . . 18 L C . 7416 1 83 . 1 1 18 18 LEU CA C 13 56.495 0.2 . 1 . . . . 18 L CA . 7416 1 84 . 1 1 18 18 LEU CB C 13 39.788 0.2 . 1 . . . . 18 L CB . 7416 1 85 . 1 1 18 18 LEU N N 15 120.43 0.2 . 1 . . . . 18 L N . 7416 1 86 . 1 1 19 19 PHE H H 1 6.522 0.01 . 1 . . . . 19 F HN . 7416 1 87 . 1 1 19 19 PHE C C 13 174.827 0.2 . 1 . . . . 19 F C . 7416 1 88 . 1 1 19 19 PHE CA C 13 58.054 0.2 . 1 . . . . 19 F CA . 7416 1 89 . 1 1 19 19 PHE CB C 13 38.279 0.2 . 1 . . . . 19 F CB . 7416 1 90 . 1 1 19 19 PHE N N 15 113.877 0.2 . 1 . . . . 19 F N . 7416 1 91 . 1 1 20 20 ASP H H 1 7.676 0.01 . 1 . . . . 20 D HN . 7416 1 92 . 1 1 20 20 ASP C C 13 176.227 0.2 . 1 . . . . 20 D C . 7416 1 93 . 1 1 20 20 ASP CA C 13 55.848 0.2 . 1 . . . . 20 D CA . 7416 1 94 . 1 1 20 20 ASP CB C 13 38.282 0.2 . 1 . . . . 20 D CB . 7416 1 95 . 1 1 20 20 ASP N N 15 116.614 0.2 . 1 . . . . 20 D N . 7416 1 96 . 1 1 21 21 LYS H H 1 6.37 0.01 . 1 . . . . 21 K HN . 7416 1 97 . 1 1 21 21 LYS C C 13 177.227 0.2 . 1 . . . . 21 K C . 7416 1 98 . 1 1 21 21 LYS CA C 13 57.165 0.2 . 1 . . . . 21 K CA . 7416 1 99 . 1 1 21 21 LYS CB C 13 30.913 0.2 . 1 . . . . 21 K CB . 7416 1 100 . 1 1 21 21 LYS N N 15 123.43 0.2 . 1 . . . . 21 K N . 7416 1 101 . 1 1 22 22 ASP H H 1 7.212 0.01 . 1 . . . . 22 D HN . 7416 1 102 . 1 1 22 22 ASP C C 13 176.627 0.2 . 1 . . . . 22 D C . 7416 1 103 . 1 1 22 22 ASP CA C 13 51.825 0.2 . 1 . . . . 22 D CA . 7416 1 104 . 1 1 22 22 ASP CB C 13 37.928 0.2 . 1 . . . . 22 D CB . 7416 1 105 . 1 1 22 22 ASP N N 15 113.217 0.2 . 1 . . . . 22 D N . 7416 1 106 . 1 1 23 23 GLY H H 1 7.448 0.01 . 1 . . . . 23 G HN . 7416 1 107 . 1 1 23 23 GLY C C 13 173.327 0.2 . 1 . . . . 23 G C . 7416 1 108 . 1 1 23 23 GLY CA C 13 45.82 0.2 . 1 . . . . 23 G CA . 7416 1 109 . 1 1 23 23 GLY N N 15 109.052 0.2 . 1 . . . . 23 G N . 7416 1 110 . 1 1 37 37 ARG H H 1 6.693 0.01 . 1 . . . . 37 R HN . 7416 1 111 . 1 1 37 37 ARG C C 13 179.427 0.2 . 1 . . . . 37 R C . 7416 1 112 . 1 1 37 37 ARG CA C 13 56.477 0.2 . 1 . . . . 37 R CA . 7416 1 113 . 1 1 37 37 ARG CB C 13 27.616 0.2 . 1 . . . . 37 R CB . 7416 1 114 . 1 1 37 37 ARG N N 15 115.918 0.2 . 1 . . . . 37 R N . 7416 1 115 . 1 1 38 38 SER H H 1 6.396 0.01 . 1 . . . . 38 S HN . 7416 1 116 . 1 1 38 38 SER C C 13 173.027 0.2 . 1 . . . . 38 S C . 7416 1 117 . 1 1 38 38 SER CA C 13 59.942 0.2 . 1 . . . . 38 S CA . 7416 1 118 . 1 1 38 38 SER CB C 13 60.764 0.2 . 1 . . . . 38 S CB . 7416 1 119 . 1 1 38 38 SER N N 15 118.007 0.2 . 1 . . . . 38 S N . 7416 1 120 . 1 1 39 39 LEU H H 1 5.857 0.01 . 1 . . . . 39 L HN . 7416 1 121 . 1 1 39 39 LEU C C 13 175.527 0.2 . 1 . . . . 39 L C . 7416 1 122 . 1 1 39 39 LEU CA C 13 52.424 0.2 . 1 . . . . 39 L CA . 7416 1 123 . 1 1 39 39 LEU CB C 13 39.536 0.2 . 1 . . . . 39 L CB . 7416 1 124 . 1 1 39 39 LEU N N 15 117.724 0.2 . 1 . . . . 39 L N . 7416 1 125 . 1 1 40 40 GLY H H 1 6.589 0.01 . 1 . . . . 40 G HN . 7416 1 126 . 1 1 40 40 GLY C C 13 172.727 0.2 . 1 . . . . 40 G C . 7416 1 127 . 1 1 40 40 GLY CA C 13 43.545 0.2 . 1 . . . . 40 G CA . 7416 1 128 . 1 1 40 40 GLY N N 15 105.421 0.2 . 1 . . . . 40 G N . 7416 1 129 . 1 1 41 41 GLN H H 1 6.449 0.01 . 1 . . . . 41 Q HN . 7416 1 130 . 1 1 41 41 GLN C C 13 174.527 0.2 . 1 . . . . 41 Q C . 7416 1 131 . 1 1 41 41 GLN CA C 13 52.57 0.2 . 1 . . . . 41 Q CA . 7416 1 132 . 1 1 41 41 GLN CB C 13 27.098 0.2 . 1 . . . . 41 Q CB . 7416 1 133 . 1 1 41 41 GLN N N 15 117.915 0.2 . 1 . . . . 41 Q N . 7416 1 134 . 1 1 42 42 ASN H H 1 7.379 0.01 . 1 . . . . 42 N HN . 7416 1 135 . 1 1 42 42 ASN CA C 13 49.384 0.2 . 1 . . . . 42 N CA . 7416 1 136 . 1 1 42 42 ASN CB C 13 37.412 0.2 . 1 . . . . 42 N CB . 7416 1 137 . 1 1 42 42 ASN N N 15 114.631 0.2 . 1 . . . . 42 N N . 7416 1 138 . 1 1 44 44 THR H H 1 7.467 0.01 . 1 . . . . 44 T HN . 7416 1 139 . 1 1 44 44 THR C C 13 172.927 0.2 . 1 . . . . 44 T C . 7416 1 140 . 1 1 44 44 THR CA C 13 58.532 0.2 . 1 . . . . 44 T CA . 7416 1 141 . 1 1 44 44 THR CB C 13 69.42 0.2 . 1 . . . . 44 T CB . 7416 1 142 . 1 1 44 44 THR N N 15 112.217 0.2 . 1 . . . . 44 T N . 7416 1 143 . 1 1 45 45 GLU H H 1 7.868 0.01 . 1 . . . . 45 E HN . 7416 1 144 . 1 1 45 45 GLU C C 13 177.127 0.2 . 1 . . . . 45 E C . 7416 1 145 . 1 1 45 45 GLU CA C 13 57.883 0.2 . 1 . . . . 45 E CA . 7416 1 146 . 1 1 45 45 GLU CB C 13 26.978 0.2 . 1 . . . . 45 E CB . 7416 1 147 . 1 1 45 45 GLU N N 15 119.526 0.2 . 1 . . . . 45 E N . 7416 1 148 . 1 1 46 46 ALA H H 1 7.758 0.01 . 1 . . . . 46 A HN . 7416 1 149 . 1 1 46 46 ALA C C 13 178.627 0.2 . 1 . . . . 46 A C . 7416 1 150 . 1 1 46 46 ALA CA C 13 53.994 0.2 . 1 . . . . 46 A CA . 7416 1 151 . 1 1 46 46 ALA CB C 13 17.041 0.2 . 1 . . . . 46 A CB . 7416 1 152 . 1 1 46 46 ALA N N 15 120.25 0.2 . 1 . . . . 46 A N . 7416 1 153 . 1 1 47 47 GLU H H 1 6.198 0.01 . 1 . . . . 47 E HN . 7416 1 154 . 1 1 47 47 GLU CA C 13 56.661 0.2 . 1 . . . . 47 E CA . 7416 1 155 . 1 1 47 47 GLU CB C 13 26.826 0.2 . 1 . . . . 47 E CB . 7416 1 156 . 1 1 47 47 GLU N N 15 116.886 0.2 . 1 . . . . 47 E N . 7416 1 157 . 1 1 50 50 ASP H H 1 6.335 0.01 . 1 . . . . 50 D HN . 7416 1 158 . 1 1 50 50 ASP C C 13 177.827 0.2 . 1 . . . . 50 D C . 7416 1 159 . 1 1 50 50 ASP CA C 13 54.992 0.2 . 1 . . . . 50 D CA . 7416 1 160 . 1 1 50 50 ASP CB C 13 37.95 0.2 . 1 . . . . 50 D CB . 7416 1 161 . 1 1 50 50 ASP N N 15 118.485 0.2 . 1 . . . . 50 D N . 7416 1 162 . 1 1 76 76 MET H H 1 6.704 0.01 . 1 . . . . 76 M HN . 7416 1 163 . 1 1 76 76 MET C C 13 175.827 0.2 . 1 . . . . 76 M C . 7416 1 164 . 1 1 76 76 MET CA C 13 56.38 0.2 . 1 . . . . 76 M CA . 7416 1 165 . 1 1 76 76 MET CB C 13 31.662 0.2 . 1 . . . . 76 M CB . 7416 1 166 . 1 1 76 76 MET N N 15 116.056 0.2 . 1 . . . . 76 M N . 7416 1 167 . 1 1 77 77 LYS H H 1 6.634 0.01 . 1 . . . . 77 K HN . 7416 1 168 . 1 1 77 77 LYS C C 13 175.827 0.2 . 1 . . . . 77 K C . 7416 1 169 . 1 1 77 77 LYS CA C 13 56.097 0.2 . 1 . . . . 77 K CA . 7416 1 170 . 1 1 77 77 LYS CB C 13 31.034 0.2 . 1 . . . . 77 K CB . 7416 1 171 . 1 1 77 77 LYS N N 15 117.557 0.2 . 1 . . . . 77 K N . 7416 1 172 . 1 1 78 78 ASP H H 1 6.921 0.01 . 1 . . . . 78 D HN . 7416 1 173 . 1 1 78 78 ASP C C 13 174.727 0.2 . 1 . . . . 78 D C . 7416 1 174 . 1 1 78 78 ASP CA C 13 53.35 0.2 . 1 . . . . 78 D CA . 7416 1 175 . 1 1 78 78 ASP CB C 13 39.667 0.2 . 1 . . . . 78 D CB . 7416 1 176 . 1 1 78 78 ASP N N 15 117.346 0.2 . 1 . . . . 78 D N . 7416 1 177 . 1 1 79 79 THR H H 1 6.68 0.01 . 1 . . . . 79 T HN . 7416 1 178 . 1 1 79 79 THR C C 13 172.227 0.2 . 1 . . . . 79 T C . 7416 1 179 . 1 1 79 79 THR CA C 13 60.481 0.2 . 1 . . . . 79 T CA . 7416 1 180 . 1 1 79 79 THR CB C 13 69.022 0.2 . 1 . . . . 79 T CB . 7416 1 181 . 1 1 79 79 THR N N 15 112.299 0.2 . 1 . . . . 79 T N . 7416 1 182 . 1 1 80 80 ASP H H 1 7.92 0.01 . 1 . . . . 80 D HN . 7416 1 183 . 1 1 80 80 ASP C C 13 175.227 0.2 . 1 . . . . 80 D C . 7416 1 184 . 1 1 80 80 ASP CA C 13 52.366 0.2 . 1 . . . . 80 D CA . 7416 1 185 . 1 1 80 80 ASP CB C 13 40.462 0.2 . 1 . . . . 80 D CB . 7416 1 186 . 1 1 80 80 ASP N N 15 124.007 0.2 . 1 . . . . 80 D N . 7416 1 187 . 1 1 81 81 SER H H 1 8.178 0.01 . 1 . . . . 81 S HN . 7416 1 188 . 1 1 81 81 SER C C 13 174.427 0.2 . 1 . . . . 81 S C . 7416 1 189 . 1 1 81 81 SER CA C 13 59.535 0.2 . 1 . . . . 81 S CA . 7416 1 190 . 1 1 81 81 SER CB C 13 62.412 0.2 . 1 . . . . 81 S CB . 7416 1 191 . 1 1 81 81 SER N N 15 120.085 0.2 . 1 . . . . 81 S N . 7416 1 192 . 1 1 82 82 GLU H H 1 7.931 0.01 . 1 . . . . 82 E HN . 7416 1 193 . 1 1 82 82 GLU C C 13 177.527 0.2 . 1 . . . . 82 E C . 7416 1 194 . 1 1 82 82 GLU CA C 13 58.47 0.2 . 1 . . . . 82 E CA . 7416 1 195 . 1 1 82 82 GLU CB C 13 28.057 0.2 . 1 . . . . 82 E CB . 7416 1 196 . 1 1 82 82 GLU N N 15 121.296 0.2 . 1 . . . . 82 E N . 7416 1 197 . 1 1 83 83 GLU H H 1 7.58 0.01 . 1 . . . . 83 E HN . 7416 1 198 . 1 1 83 83 GLU C C 13 177.127 0.2 . 1 . . . . 83 E C . 7416 1 199 . 1 1 83 83 GLU CA C 13 58.049 0.2 . 1 . . . . 83 E CA . 7416 1 200 . 1 1 83 83 GLU CB C 13 27.958 0.2 . 1 . . . . 83 E CB . 7416 1 201 . 1 1 83 83 GLU N N 15 119.294 0.2 . 1 . . . . 83 E N . 7416 1 202 . 1 1 84 84 GLU H H 1 7.623 0.01 . 1 . . . . 84 E HN . 7416 1 203 . 1 1 84 84 GLU C C 13 178.927 0.2 . 1 . . . . 84 E C . 7416 1 204 . 1 1 84 84 GLU CA C 13 57.976 0.2 . 1 . . . . 84 E CA . 7416 1 205 . 1 1 84 84 GLU CB C 13 28.235 0.2 . 1 . . . . 84 E CB . 7416 1 206 . 1 1 84 84 GLU N N 15 117.467 0.2 . 1 . . . . 84 E N . 7416 1 207 . 1 1 85 85 ILE H H 1 7.712 0.01 . 1 . . . . 85 I HN . 7416 1 208 . 1 1 85 85 ILE C C 13 176.727 0.2 . 1 . . . . 85 I C . 7416 1 209 . 1 1 85 85 ILE CA C 13 65.382 0.2 . 1 . . . . 85 I CA . 7416 1 210 . 1 1 85 85 ILE CB C 13 36.358 0.2 . 1 . . . . 85 I CB . 7416 1 211 . 1 1 85 85 ILE N N 15 120.89 0.2 . 1 . . . . 85 I N . 7416 1 212 . 1 1 86 86 ARG H H 1 7.814 0.01 . 1 . . . . 86 R HN . 7416 1 213 . 1 1 86 86 ARG C C 13 177.927 0.2 . 1 . . . . 86 R C . 7416 1 214 . 1 1 86 86 ARG CA C 13 59.16 0.2 . 1 . . . . 86 R CA . 7416 1 215 . 1 1 86 86 ARG CB C 13 28.554 0.2 . 1 . . . . 86 R CB . 7416 1 216 . 1 1 86 86 ARG N N 15 121.89 0.2 . 1 . . . . 86 R N . 7416 1 217 . 1 1 87 87 GLU H H 1 7.858 0.01 . 1 . . . . 87 E HN . 7416 1 218 . 1 1 87 87 GLU C C 13 178.127 0.2 . 1 . . . . 87 E C . 7416 1 219 . 1 1 87 87 GLU CA C 13 57.351 0.2 . 1 . . . . 87 E CA . 7416 1 220 . 1 1 87 87 GLU CB C 13 27.567 0.2 . 1 . . . . 87 E CB . 7416 1 221 . 1 1 87 87 GLU N N 15 116.459 0.2 . 1 . . . . 87 E N . 7416 1 222 . 1 1 88 88 ALA H H 1 7.474 0.01 . 1 . . . . 88 A HN . 7416 1 223 . 1 1 88 88 ALA C C 13 177.727 0.2 . 1 . . . . 88 A C . 7416 1 224 . 1 1 88 88 ALA CA C 13 53.793 0.2 . 1 . . . . 88 A CA . 7416 1 225 . 1 1 88 88 ALA CB C 13 17.206 0.2 . 1 . . . . 88 A CB . 7416 1 226 . 1 1 88 88 ALA N N 15 120.429 0.2 . 1 . . . . 88 A N . 7416 1 227 . 1 1 89 89 PHE H H 1 8.32 0.01 . 1 . . . . 89 F HN . 7416 1 228 . 1 1 89 89 PHE C C 13 175.327 0.2 . 1 . . . . 89 F C . 7416 1 229 . 1 1 89 89 PHE CA C 13 61.335 0.2 . 1 . . . . 89 F CA . 7416 1 230 . 1 1 89 89 PHE CB C 13 37.539 0.2 . 1 . . . . 89 F CB . 7416 1 231 . 1 1 89 89 PHE N N 15 119.619 0.2 . 1 . . . . 89 F N . 7416 1 232 . 1 1 90 90 ARG H H 1 6.992 0.01 . 1 . . . . 90 R HN . 7416 1 233 . 1 1 90 90 ARG C C 13 175.827 0.2 . 1 . . . . 90 R C . 7416 1 234 . 1 1 90 90 ARG CA C 13 57.386 0.2 . 1 . . . . 90 R CA . 7416 1 235 . 1 1 90 90 ARG CB C 13 28.623 0.2 . 1 . . . . 90 R CB . 7416 1 236 . 1 1 90 90 ARG N N 15 114.036 0.2 . 1 . . . . 90 R N . 7416 1 237 . 1 1 91 91 VAL H H 1 6.548 0.01 . 1 . . . . 91 V HN . 7416 1 238 . 1 1 91 91 VAL C C 13 175.627 0.2 . 1 . . . . 91 V C . 7416 1 239 . 1 1 91 91 VAL CA C 13 64.102 0.2 . 1 . . . . 91 V CA . 7416 1 240 . 1 1 91 91 VAL CB C 13 29.635 0.2 . 1 . . . . 91 V CB . 7416 1 241 . 1 1 91 91 VAL N N 15 116.872 0.2 . 1 . . . . 91 V N . 7416 1 242 . 1 1 92 92 PHE H H 1 6.643 0.01 . 1 . . . . 92 F HN . 7416 1 243 . 1 1 92 92 PHE C C 13 175.827 0.2 . 1 . . . . 92 F C . 7416 1 244 . 1 1 92 92 PHE CA C 13 59.55 0.2 . 1 . . . . 92 F CA . 7416 1 245 . 1 1 92 92 PHE CB C 13 40.286 0.2 . 1 . . . . 92 F CB . 7416 1 246 . 1 1 92 92 PHE N N 15 115.549 0.2 . 1 . . . . 92 F N . 7416 1 247 . 1 1 93 93 ASP H H 1 7.473 0.01 . 1 . . . . 93 D HN . 7416 1 248 . 1 1 93 93 ASP C C 13 175.927 0.2 . 1 . . . . 93 D C . 7416 1 249 . 1 1 93 93 ASP CA C 13 50.755 0.2 . 1 . . . . 93 D CA . 7416 1 250 . 1 1 93 93 ASP CB C 13 37.378 0.2 . 1 . . . . 93 D CB . 7416 1 251 . 1 1 93 93 ASP N N 15 115.555 0.2 . 1 . . . . 93 D N . 7416 1 252 . 1 1 94 94 LYS H H 1 6.99 0.01 . 1 . . . . 94 K HN . 7416 1 253 . 1 1 94 94 LYS C C 13 177.127 0.2 . 1 . . . . 94 K C . 7416 1 254 . 1 1 94 94 LYS CA C 13 57.898 0.2 . 1 . . . . 94 K CA . 7416 1 255 . 1 1 94 94 LYS CB C 13 31.528 0.2 . 1 . . . . 94 K CB . 7416 1 256 . 1 1 94 94 LYS N N 15 124.917 0.2 . 1 . . . . 94 K N . 7416 1 257 . 1 1 95 95 ASP H H 1 7.87 0.01 . 1 . . . . 95 D HN . 7416 1 258 . 1 1 95 95 ASP C C 13 177.227 0.2 . 1 . . . . 95 D C . 7416 1 259 . 1 1 95 95 ASP CA C 13 51.926 0.2 . 1 . . . . 95 D CA . 7416 1 260 . 1 1 95 95 ASP CB C 13 38.468 0.2 . 1 . . . . 95 D CB . 7416 1 261 . 1 1 95 95 ASP N N 15 113.682 0.2 . 1 . . . . 95 D N . 7416 1 262 . 1 1 96 96 GLY H H 1 7.439 0.01 . 1 . . . . 96 G HN . 7416 1 263 . 1 1 96 96 GLY C C 13 174.027 0.2 . 1 . . . . 96 G C . 7416 1 264 . 1 1 96 96 GLY CA C 13 45.772 0.2 . 1 . . . . 96 G CA . 7416 1 265 . 1 1 96 96 GLY N N 15 108.966 0.2 . 1 . . . . 96 G N . 7416 1 266 . 1 1 97 97 ASN H H 1 8.026 0.01 . 1 . . . . 97 N HN . 7416 1 267 . 1 1 97 97 ASN C C 13 175.027 0.2 . 1 . . . . 97 N C . 7416 1 268 . 1 1 97 97 ASN CA C 13 51.614 0.2 . 1 . . . . 97 N CA . 7416 1 269 . 1 1 97 97 ASN CB C 13 37.309 0.2 . 1 . . . . 97 N CB . 7416 1 270 . 1 1 97 97 ASN N N 15 119.556 0.2 . 1 . . . . 97 N N . 7416 1 271 . 1 1 98 98 GLY H H 1 10.357 0.01 . 1 . . . . 98 G HN . 7416 1 272 . 1 1 98 98 GLY C C 13 171.727 0.2 . 1 . . . . 98 G C . 7416 1 273 . 1 1 98 98 GLY CA C 13 43.786 0.2 . 1 . . . . 98 G CA . 7416 1 274 . 1 1 98 98 GLY N N 15 112.782 0.2 . 1 . . . . 98 G N . 7416 1 275 . 1 1 99 99 TYR H H 1 7.358 0.01 . 1 . . . . 99 Y HN . 7416 1 276 . 1 1 99 99 TYR C C 13 173.627 0.2 . 1 . . . . 99 Y C . 7416 1 277 . 1 1 99 99 TYR CA C 13 55.149 0.2 . 1 . . . . 99 Y CA . 7416 1 278 . 1 1 99 99 TYR CB C 13 41.8 0.2 . 1 . . . . 99 Y CB . 7416 1 279 . 1 1 99 99 TYR N N 15 115.966 0.2 . 1 . . . . 99 Y N . 7416 1 280 . 1 1 100 100 ILE H H 1 9.931 0.01 . 1 . . . . 100 I HN . 7416 1 281 . 1 1 100 100 ILE C C 13 174.527 0.2 . 1 . . . . 100 I C . 7416 1 282 . 1 1 100 100 ILE CA C 13 60.271 0.2 . 1 . . . . 100 I CA . 7416 1 283 . 1 1 100 100 ILE CB C 13 37.839 0.2 . 1 . . . . 100 I CB . 7416 1 284 . 1 1 100 100 ILE N N 15 127.174 0.2 . 1 . . . . 100 I N . 7416 1 285 . 1 1 101 101 SER H H 1 8.682 0.01 . 1 . . . . 101 S HN . 7416 1 286 . 1 1 101 101 SER C C 13 174.327 0.2 . 1 . . . . 101 S C . 7416 1 287 . 1 1 101 101 SER CA C 13 54.755 0.2 . 1 . . . . 101 S CA . 7416 1 288 . 1 1 101 101 SER CB C 13 65.605 0.2 . 1 . . . . 101 S CB . 7416 1 289 . 1 1 101 101 SER N N 15 123.84 0.2 . 1 . . . . 101 S N . 7416 1 290 . 1 1 102 102 ALA H H 1 9.121 0.01 . 1 . . . . 102 A HN . 7416 1 291 . 1 1 102 102 ALA C C 13 178.327 0.2 . 1 . . . . 102 A C . 7416 1 292 . 1 1 102 102 ALA CA C 13 55.228 0.2 . 1 . . . . 102 A CA . 7416 1 293 . 1 1 102 102 ALA CB C 13 16.753 0.2 . 1 . . . . 102 A CB . 7416 1 294 . 1 1 102 102 ALA N N 15 122.832 0.2 . 1 . . . . 102 A N . 7416 1 295 . 1 1 103 103 ALA H H 1 8.053 0.01 . 1 . . . . 103 A HN . 7416 1 296 . 1 1 103 103 ALA C C 13 180.527 0.2 . 1 . . . . 103 A C . 7416 1 297 . 1 1 103 103 ALA CA C 13 54.209 0.2 . 1 . . . . 103 A CA . 7416 1 298 . 1 1 103 103 ALA CB C 13 17.252 0.2 . 1 . . . . 103 A CB . 7416 1 299 . 1 1 103 103 ALA N N 15 118.334 0.2 . 1 . . . . 103 A N . 7416 1 300 . 1 1 104 104 GLU H H 1 7.656 0.01 . 1 . . . . 104 E HN . 7416 1 301 . 1 1 104 104 GLU C C 13 178.527 0.2 . 1 . . . . 104 E C . 7416 1 302 . 1 1 104 104 GLU CA C 13 58.273 0.2 . 1 . . . . 104 E CA . 7416 1 303 . 1 1 104 104 GLU CB C 13 27.904 0.2 . 1 . . . . 104 E CB . 7416 1 304 . 1 1 104 104 GLU N N 15 120.167 0.2 . 1 . . . . 104 E N . 7416 1 305 . 1 1 105 105 LEU H H 1 8.357 0.01 . 1 . . . . 105 L HN . 7416 1 306 . 1 1 105 105 LEU C C 13 177.127 0.2 . 1 . . . . 105 L C . 7416 1 307 . 1 1 105 105 LEU CA C 13 56.796 0.2 . 1 . . . . 105 L CA . 7416 1 308 . 1 1 105 105 LEU CB C 13 41.126 0.2 . 1 . . . . 105 L CB . 7416 1 309 . 1 1 105 105 LEU N N 15 121.545 0.2 . 1 . . . . 105 L N . 7416 1 310 . 1 1 106 106 ARG H H 1 8.555 0.01 . 1 . . . . 106 R HN . 7416 1 311 . 1 1 106 106 ARG C C 13 177.927 0.2 . 1 . . . . 106 R C . 7416 1 312 . 1 1 106 106 ARG CA C 13 58.992 0.2 . 1 . . . . 106 R CA . 7416 1 313 . 1 1 106 106 ARG CB C 13 28.863 0.2 . 1 . . . . 106 R CB . 7416 1 314 . 1 1 106 106 ARG N N 15 118.213 0.2 . 1 . . . . 106 R N . 7416 1 315 . 1 1 107 107 HIS H H 1 7.577 0.01 . 1 . . . . 107 H HN . 7416 1 316 . 1 1 107 107 HIS C C 13 175.927 0.2 . 1 . . . . 107 H C . 7416 1 317 . 1 1 107 107 HIS CA C 13 59.055 0.2 . 1 . . . . 107 H CA . 7416 1 318 . 1 1 107 107 HIS CB C 13 29.521 0.2 . 1 . . . . 107 H CB . 7416 1 319 . 1 1 107 107 HIS N N 15 119.09 0.2 . 1 . . . . 107 H N . 7416 1 320 . 1 1 108 108 VAL H H 1 7.323 0.01 . 1 . . . . 108 V HN . 7416 1 321 . 1 1 108 108 VAL C C 13 176.227 0.2 . 1 . . . . 108 V C . 7416 1 322 . 1 1 108 108 VAL CA C 13 65.592 0.2 . 1 . . . . 108 V CA . 7416 1 323 . 1 1 108 108 VAL CB C 13 30.223 0.2 . 1 . . . . 108 V CB . 7416 1 324 . 1 1 108 108 VAL N N 15 118.079 0.2 . 1 . . . . 108 V N . 7416 1 325 . 1 1 109 109 MET H H 1 7.806 0.01 . 1 . . . . 109 M HN . 7416 1 326 . 1 1 109 109 MET C C 13 177.727 0.2 . 1 . . . . 109 M C . 7416 1 327 . 1 1 109 109 MET CA C 13 55.947 0.2 . 1 . . . . 109 M CA . 7416 1 328 . 1 1 109 109 MET CB C 13 28.682 0.2 . 1 . . . . 109 M CB . 7416 1 329 . 1 1 109 109 MET N N 15 114.568 0.2 . 1 . . . . 109 M N . 7416 1 330 . 1 1 110 110 THR H H 1 8.053 0.01 . 1 . . . . 110 T HN . 7416 1 331 . 1 1 110 110 THR C C 13 177.127 0.2 . 1 . . . . 110 T C . 7416 1 332 . 1 1 110 110 THR CA C 13 65.25 0.2 . 1 . . . . 110 T CA . 7416 1 333 . 1 1 110 110 THR CB C 13 67.429 0.2 . 1 . . . . 110 T CB . 7416 1 334 . 1 1 110 110 THR N N 15 114.909 0.2 . 1 . . . . 110 T N . 7416 1 335 . 1 1 111 111 ASN H H 1 7.394 0.01 . 1 . . . . 111 N HN . 7416 1 336 . 1 1 111 111 ASN C C 13 175.027 0.2 . 1 . . . . 111 N C . 7416 1 337 . 1 1 111 111 ASN CA C 13 54.458 0.2 . 1 . . . . 111 N CA . 7416 1 338 . 1 1 111 111 ASN CB C 13 35.602 0.2 . 1 . . . . 111 N CB . 7416 1 339 . 1 1 111 111 ASN N N 15 122.736 0.2 . 1 . . . . 111 N N . 7416 1 340 . 1 1 112 112 LEU H H 1 7.094 0.01 . 1 . . . . 112 L HN . 7416 1 341 . 1 1 112 112 LEU C C 13 175.727 0.2 . 1 . . . . 112 L C . 7416 1 342 . 1 1 112 112 LEU CA C 13 54.074 0.2 . 1 . . . . 112 L CA . 7416 1 343 . 1 1 112 112 LEU CB C 13 40.618 0.2 . 1 . . . . 112 L CB . 7416 1 344 . 1 1 112 112 LEU N N 15 116.779 0.2 . 1 . . . . 112 L N . 7416 1 345 . 1 1 113 113 GLY H H 1 6.962 0.01 . 1 . . . . 113 G HN . 7416 1 346 . 1 1 113 113 GLY C C 13 173.127 0.2 . 1 . . . . 113 G C . 7416 1 347 . 1 1 113 113 GLY CA C 13 43.467 0.2 . 1 . . . . 113 G CA . 7416 1 348 . 1 1 113 113 GLY N N 15 103.47 0.2 . 1 . . . . 113 G N . 7416 1 349 . 1 1 114 114 GLU H H 1 7.513 0.01 . 1 . . . . 114 E HN . 7416 1 350 . 1 1 114 114 GLU C C 13 173.727 0.2 . 1 . . . . 114 E C . 7416 1 351 . 1 1 114 114 GLU CA C 13 54.058 0.2 . 1 . . . . 114 E CA . 7416 1 352 . 1 1 114 114 GLU CB C 13 29.489 0.2 . 1 . . . . 114 E CB . 7416 1 353 . 1 1 114 114 GLU N N 15 122.231 0.2 . 1 . . . . 114 E N . 7416 1 354 . 1 1 115 115 LYS H H 1 8.289 0.01 . 1 . . . . 115 K HN . 7416 1 355 . 1 1 115 115 LYS C C 13 174.527 0.2 . 1 . . . . 115 K C . 7416 1 356 . 1 1 115 115 LYS CA C 13 54.918 0.2 . 1 . . . . 115 K CA . 7416 1 357 . 1 1 115 115 LYS CB C 13 30.582 0.2 . 1 . . . . 115 K CB . 7416 1 358 . 1 1 115 115 LYS N N 15 125.683 0.2 . 1 . . . . 115 K N . 7416 1 359 . 1 1 116 116 LEU H H 1 7.871 0.01 . 1 . . . . 116 L HN . 7416 1 360 . 1 1 116 116 LEU C C 13 177.027 0.2 . 1 . . . . 116 L C . 7416 1 361 . 1 1 116 116 LEU CA C 13 53.261 0.2 . 1 . . . . 116 L CA . 7416 1 362 . 1 1 116 116 LEU CB C 13 43.114 0.2 . 1 . . . . 116 L CB . 7416 1 363 . 1 1 116 116 LEU N N 15 125.267 0.2 . 1 . . . . 116 L N . 7416 1 364 . 1 1 117 117 THR H H 1 9.23 0.01 . 1 . . . . 117 T HN . 7416 1 365 . 1 1 117 117 THR C C 13 174.727 0.2 . 1 . . . . 117 T C . 7416 1 366 . 1 1 117 117 THR CA C 13 59.926 0.2 . 1 . . . . 117 T CA . 7416 1 367 . 1 1 117 117 THR CB C 13 70.382 0.2 . 1 . . . . 117 T CB . 7416 1 368 . 1 1 117 117 THR N N 15 114.542 0.2 . 1 . . . . 117 T N . 7416 1 369 . 1 1 118 118 ASP H H 1 8.854 0.01 . 1 . . . . 118 D HN . 7416 1 370 . 1 1 118 118 ASP C C 13 177.927 0.2 . 1 . . . . 118 D C . 7416 1 371 . 1 1 118 118 ASP CA C 13 57.187 0.2 . 1 . . . . 118 D CA . 7416 1 372 . 1 1 118 118 ASP CB C 13 38.44 0.2 . 1 . . . . 118 D CB . 7416 1 373 . 1 1 118 118 ASP N N 15 121.087 0.2 . 1 . . . . 118 D N . 7416 1 374 . 1 1 119 119 GLU H H 1 8.583 0.01 . 1 . . . . 119 E HN . 7416 1 375 . 1 1 119 119 GLU C C 13 178.327 0.2 . 1 . . . . 119 E C . 7416 1 376 . 1 1 119 119 GLU CA C 13 59.141 0.2 . 1 . . . . 119 E CA . 7416 1 377 . 1 1 119 119 GLU CB C 13 28.028 0.2 . 1 . . . . 119 E CB . 7416 1 378 . 1 1 119 119 GLU N N 15 119.61 0.2 . 1 . . . . 119 E N . 7416 1 379 . 1 1 120 120 GLU H H 1 7.678 0.01 . 1 . . . . 120 E HN . 7416 1 380 . 1 1 120 120 GLU C C 13 179.427 0.2 . 1 . . . . 120 E C . 7416 1 381 . 1 1 120 120 GLU CA C 13 58.351 0.2 . 1 . . . . 120 E CA . 7416 1 382 . 1 1 120 120 GLU CB C 13 29.605 0.2 . 1 . . . . 120 E CB . 7416 1 383 . 1 1 120 120 GLU N N 15 120.362 0.2 . 1 . . . . 120 E N . 7416 1 384 . 1 1 121 121 VAL H H 1 8.014 0.01 . 1 . . . . 121 V HN . 7416 1 385 . 1 1 121 121 VAL C C 13 176.627 0.2 . 1 . . . . 121 V C . 7416 1 386 . 1 1 121 121 VAL CA C 13 66.206 0.2 . 1 . . . . 121 V CA . 7416 1 387 . 1 1 121 121 VAL CB C 13 30.271 0.2 . 1 . . . . 121 V CB . 7416 1 388 . 1 1 121 121 VAL N N 15 122.15 0.2 . 1 . . . . 121 V N . 7416 1 389 . 1 1 122 122 ASP H H 1 7.878 0.01 . 1 . . . . 122 D HN . 7416 1 390 . 1 1 122 122 ASP C C 13 178.227 0.2 . 1 . . . . 122 D C . 7416 1 391 . 1 1 122 122 ASP CA C 13 56.913 0.2 . 1 . . . . 122 D CA . 7416 1 392 . 1 1 122 122 ASP CB C 13 39.534 0.2 . 1 . . . . 122 D CB . 7416 1 393 . 1 1 122 122 ASP N N 15 119.732 0.2 . 1 . . . . 122 D N . 7416 1 394 . 1 1 123 123 GLU H H 1 8.134 0.01 . 1 . . . . 123 E HN . 7416 1 395 . 1 1 123 123 GLU C C 13 177.927 0.2 . 1 . . . . 123 E C . 7416 1 396 . 1 1 123 123 GLU CA C 13 58.556 0.2 . 1 . . . . 123 E CA . 7416 1 397 . 1 1 123 123 GLU CB C 13 28.546 0.2 . 1 . . . . 123 E CB . 7416 1 398 . 1 1 123 123 GLU N N 15 119.575 0.2 . 1 . . . . 123 E N . 7416 1 399 . 1 1 124 124 MET H H 1 7.622 0.01 . 1 . . . . 124 M HN . 7416 1 400 . 1 1 124 124 MET C C 13 179.427 0.2 . 1 . . . . 124 M C . 7416 1 401 . 1 1 124 124 MET CA C 13 59.352 0.2 . 1 . . . . 124 M CA . 7416 1 402 . 1 1 124 124 MET CB C 13 28.236 0.2 . 1 . . . . 124 M CB . 7416 1 403 . 1 1 124 124 MET N N 15 119.485 0.2 . 1 . . . . 124 M N . 7416 1 404 . 1 1 125 125 ILE H H 1 8.103 0.01 . 1 . . . . 125 I HN . 7416 1 405 . 1 1 125 125 ILE C C 13 177.027 0.2 . 1 . . . . 125 I C . 7416 1 406 . 1 1 125 125 ILE CA C 13 63.079 0.2 . 1 . . . . 125 I CA . 7416 1 407 . 1 1 125 125 ILE CB C 13 34.805 0.2 . 1 . . . . 125 I CB . 7416 1 408 . 1 1 125 125 ILE N N 15 120.284 0.2 . 1 . . . . 125 I N . 7416 1 409 . 1 1 126 126 ARG H H 1 8.484 0.01 . 1 . . . . 126 R HN . 7416 1 410 . 1 1 126 126 ARG C C 13 178.027 0.2 . 1 . . . . 126 R C . 7416 1 411 . 1 1 126 126 ARG CA C 13 58.977 0.2 . 1 . . . . 126 R CA . 7416 1 412 . 1 1 126 126 ARG CB C 13 29.179 0.2 . 1 . . . . 126 R CB . 7416 1 413 . 1 1 126 126 ARG N N 15 118.35 0.2 . 1 . . . . 126 R N . 7416 1 414 . 1 1 127 127 GLU H H 1 7.868 0.01 . 1 . . . . 127 E HN . 7416 1 415 . 1 1 127 127 GLU C C 13 176.127 0.2 . 1 . . . . 127 E C . 7416 1 416 . 1 1 127 127 GLU CA C 13 58.048 0.2 . 1 . . . . 127 E CA . 7416 1 417 . 1 1 127 127 GLU CB C 13 29.199 0.2 . 1 . . . . 127 E CB . 7416 1 418 . 1 1 127 127 GLU N N 15 116.701 0.2 . 1 . . . . 127 E N . 7416 1 419 . 1 1 128 128 ALA H H 1 7.035 0.01 . 1 . . . . 128 A HN . 7416 1 420 . 1 1 128 128 ALA C C 13 176.827 0.2 . 1 . . . . 128 A C . 7416 1 421 . 1 1 128 128 ALA CA C 13 50.591 0.2 . 1 . . . . 128 A CA . 7416 1 422 . 1 1 128 128 ALA CB C 13 20.931 0.2 . 1 . . . . 128 A CB . 7416 1 423 . 1 1 128 128 ALA N N 15 117.181 0.2 . 1 . . . . 128 A N . 7416 1 424 . 1 1 129 129 ASP H H 1 7.961 0.01 . 1 . . . . 129 D HN . 7416 1 425 . 1 1 129 129 ASP C C 13 174.927 0.2 . 1 . . . . 129 D C . 7416 1 426 . 1 1 129 129 ASP CA C 13 53.475 0.2 . 1 . . . . 129 D CA . 7416 1 427 . 1 1 129 129 ASP CB C 13 39.835 0.2 . 1 . . . . 129 D CB . 7416 1 428 . 1 1 129 129 ASP N N 15 117.88 0.2 . 1 . . . . 129 D N . 7416 1 429 . 1 1 130 130 ILE H H 1 8.115 0.01 . 1 . . . . 130 I HN . 7416 1 430 . 1 1 130 130 ILE C C 13 177.027 0.2 . 1 . . . . 130 I C . 7416 1 431 . 1 1 130 130 ILE CA C 13 62.753 0.2 . 1 . . . . 130 I CA . 7416 1 432 . 1 1 130 130 ILE CB C 13 37.941 0.2 . 1 . . . . 130 I CB . 7416 1 433 . 1 1 130 130 ILE N N 15 128.164 0.2 . 1 . . . . 130 I N . 7416 1 434 . 1 1 131 131 ASP H H 1 8.191 0.01 . 1 . . . . 131 D HN . 7416 1 435 . 1 1 131 131 ASP C C 13 177.427 0.2 . 1 . . . . 131 D C . 7416 1 436 . 1 1 131 131 ASP CA C 13 53.034 0.2 . 1 . . . . 131 D CA . 7416 1 437 . 1 1 131 131 ASP CB C 13 38.895 0.2 . 1 . . . . 131 D CB . 7416 1 438 . 1 1 131 131 ASP N N 15 116.501 0.2 . 1 . . . . 131 D N . 7416 1 439 . 1 1 132 132 GLY H H 1 7.491 0.01 . 1 . . . . 132 G HN . 7416 1 440 . 1 1 132 132 GLY C C 13 174.427 0.2 . 1 . . . . 132 G C . 7416 1 441 . 1 1 132 132 GLY CA C 13 46.515 0.2 . 1 . . . . 132 G CA . 7416 1 442 . 1 1 132 132 GLY N N 15 108.619 0.2 . 1 . . . . 132 G N . 7416 1 443 . 1 1 133 133 ASP H H 1 8.206 0.01 . 1 . . . . 133 D HN . 7416 1 444 . 1 1 133 133 ASP C C 13 176.827 0.2 . 1 . . . . 133 D C . 7416 1 445 . 1 1 133 133 ASP CA C 13 52.867 0.2 . 1 . . . . 133 D CA . 7416 1 446 . 1 1 133 133 ASP CB C 13 39.141 0.2 . 1 . . . . 133 D CB . 7416 1 447 . 1 1 133 133 ASP N N 15 120.567 0.2 . 1 . . . . 133 D N . 7416 1 448 . 1 1 134 134 GLY H H 1 10.153 0.01 . 1 . . . . 134 G HN . 7416 1 449 . 1 1 134 134 GLY C C 13 171.927 0.2 . 1 . . . . 134 G C . 7416 1 450 . 1 1 134 134 GLY CA C 13 44.913 0.2 . 1 . . . . 134 G CA . 7416 1 451 . 1 1 134 134 GLY N N 15 112.618 0.2 . 1 . . . . 134 G N . 7416 1 452 . 1 1 135 135 GLN H H 1 7.826 0.01 . 1 . . . . 135 Q HN . 7416 1 453 . 1 1 135 135 GLN C C 13 174.227 0.2 . 1 . . . . 135 Q C . 7416 1 454 . 1 1 135 135 GLN CA C 13 52.262 0.2 . 1 . . . . 135 Q CA . 7416 1 455 . 1 1 135 135 GLN CB C 13 31.343 0.2 . 1 . . . . 135 Q CB . 7416 1 456 . 1 1 135 135 GLN N N 15 115.044 0.2 . 1 . . . . 135 Q N . 7416 1 457 . 1 1 136 136 VAL H H 1 8.865 0.01 . 1 . . . . 136 V HN . 7416 1 458 . 1 1 136 136 VAL C C 13 174.827 0.2 . 1 . . . . 136 V C . 7416 1 459 . 1 1 136 136 VAL CA C 13 60.801 0.2 . 1 . . . . 136 V CA . 7416 1 460 . 1 1 136 136 VAL CB C 13 32.463 0.2 . 1 . . . . 136 V CB . 7416 1 461 . 1 1 136 136 VAL N N 15 125.387 0.2 . 1 . . . . 136 V N . 7416 1 462 . 1 1 137 137 ASN H H 1 9.296 0.01 . 1 . . . . 137 N HN . 7416 1 463 . 1 1 137 137 ASN C C 13 173.627 0.2 . 1 . . . . 137 N C . 7416 1 464 . 1 1 137 137 ASN CA C 13 49.864 0.2 . 1 . . . . 137 N CA . 7416 1 465 . 1 1 137 137 ASN CB C 13 37.436 0.2 . 1 . . . . 137 N CB . 7416 1 466 . 1 1 137 137 ASN N N 15 129.156 0.2 . 1 . . . . 137 N N . 7416 1 467 . 1 1 138 138 TYR H H 1 7.97 0.01 . 1 . . . . 138 Y HN . 7416 1 468 . 1 1 138 138 TYR C C 13 175.427 0.2 . 1 . . . . 138 Y C . 7416 1 469 . 1 1 138 138 TYR CA C 13 61.257 0.2 . 1 . . . . 138 Y CA . 7416 1 470 . 1 1 138 138 TYR CB C 13 36.841 0.2 . 1 . . . . 138 Y CB . 7416 1 471 . 1 1 138 138 TYR N N 15 117.948 0.2 . 1 . . . . 138 Y N . 7416 1 472 . 1 1 139 139 GLU H H 1 7.835 0.01 . 1 . . . . 139 E HN . 7416 1 473 . 1 1 139 139 GLU C C 13 179.227 0.2 . 1 . . . . 139 E C . 7416 1 474 . 1 1 139 139 GLU CA C 13 59.212 0.2 . 1 . . . . 139 E CA . 7416 1 475 . 1 1 139 139 GLU CB C 13 27.61 0.2 . 1 . . . . 139 E CB . 7416 1 476 . 1 1 139 139 GLU N N 15 118.095 0.2 . 1 . . . . 139 E N . 7416 1 477 . 1 1 140 140 GLU H H 1 8.487 0.01 . 1 . . . . 140 E HN . 7416 1 478 . 1 1 140 140 GLU C C 13 178.427 0.2 . 1 . . . . 140 E C . 7416 1 479 . 1 1 140 140 GLU CA C 13 57.591 0.2 . 1 . . . . 140 E CA . 7416 1 480 . 1 1 140 140 GLU CB C 13 28.231 0.2 . 1 . . . . 140 E CB . 7416 1 481 . 1 1 140 140 GLU N N 15 119.638 0.2 . 1 . . . . 140 E N . 7416 1 482 . 1 1 141 141 PHE H H 1 8.189 0.01 . 1 . . . . 141 F HN . 7416 1 483 . 1 1 141 141 PHE C C 13 175.627 0.2 . 1 . . . . 141 F C . 7416 1 484 . 1 1 141 141 PHE CA C 13 60.959 0.2 . 1 . . . . 141 F CA . 7416 1 485 . 1 1 141 141 PHE CB C 13 38.896 0.2 . 1 . . . . 141 F CB . 7416 1 486 . 1 1 141 141 PHE N N 15 123.934 0.2 . 1 . . . . 141 F N . 7416 1 487 . 1 1 142 142 VAL H H 1 8.421 0.01 . 1 . . . . 142 V HN . 7416 1 488 . 1 1 142 142 VAL C C 13 178.627 0.2 . 1 . . . . 142 V C . 7416 1 489 . 1 1 142 142 VAL CA C 13 66.034 0.2 . 1 . . . . 142 V CA . 7416 1 490 . 1 1 142 142 VAL CB C 13 30.518 0.2 . 1 . . . . 142 V CB . 7416 1 491 . 1 1 142 142 VAL N N 15 118.965 0.2 . 1 . . . . 142 V N . 7416 1 492 . 1 1 143 143 GLN H H 1 7.505 0.01 . 1 . . . . 143 Q HN . 7416 1 493 . 1 1 143 143 GLN C C 13 177.027 0.2 . 1 . . . . 143 Q C . 7416 1 494 . 1 1 143 143 GLN CA C 13 57.914 0.2 . 1 . . . . 143 Q CA . 7416 1 495 . 1 1 143 143 GLN CB C 13 26.837 0.2 . 1 . . . . 143 Q CB . 7416 1 496 . 1 1 143 143 GLN N N 15 118.395 0.2 . 1 . . . . 143 Q N . 7416 1 497 . 1 1 144 144 MET H H 1 7.141 0.01 . 1 . . . . 144 M HN . 7416 1 498 . 1 1 144 144 MET C C 13 176.727 0.2 . 1 . . . . 144 M C . 7416 1 499 . 1 1 144 144 MET CA C 13 55.689 0.2 . 1 . . . . 144 M CA . 7416 1 500 . 1 1 144 144 MET CB C 13 30.411 0.2 . 1 . . . . 144 M CB . 7416 1 501 . 1 1 144 144 MET N N 15 116.414 0.2 . 1 . . . . 144 M N . 7416 1 502 . 1 1 145 145 MET H H 1 7.285 0.01 . 1 . . . . 145 M HN . 7416 1 503 . 1 1 145 145 MET C C 13 176.527 0.2 . 1 . . . . 145 M C . 7416 1 504 . 1 1 145 145 MET CA C 13 54.201 0.2 . 1 . . . . 145 M CA . 7416 1 505 . 1 1 145 145 MET CB C 13 29.8 0.2 . 1 . . . . 145 M CB . 7416 1 506 . 1 1 145 145 MET N N 15 113.108 0.2 . 1 . . . . 145 M N . 7416 1 507 . 1 1 146 146 THR H H 1 7.359 0.01 . 1 . . . . 146 T HN . 7416 1 508 . 1 1 146 146 THR C C 13 173.527 0.2 . 1 . . . . 146 T C . 7416 1 509 . 1 1 146 146 THR CA C 13 61.102 0.2 . 1 . . . . 146 T CA . 7416 1 510 . 1 1 146 146 THR CB C 13 69.528 0.2 . 1 . . . . 146 T CB . 7416 1 511 . 1 1 146 146 THR N N 15 109.133 0.2 . 1 . . . . 146 T N . 7416 1 512 . 1 1 147 147 ALA H H 1 7.355 0.01 . 1 . . . . 147 A HN . 7416 1 513 . 1 1 147 147 ALA C C 13 176.127 0.2 . 1 . . . . 147 A C . 7416 1 514 . 1 1 147 147 ALA CA C 13 52.075 0.2 . 1 . . . . 147 A CA . 7416 1 515 . 1 1 147 147 ALA CB C 13 17.998 0.2 . 1 . . . . 147 A CB . 7416 1 516 . 1 1 147 147 ALA N N 15 126.725 0.2 . 1 . . . . 147 A N . 7416 1 517 . 1 1 148 148 LYS H H 1 8.065 0.01 . 1 . . . . 148 K HN . 7416 1 518 . 1 1 148 148 LYS C C 13 176.127 0.2 . 1 . . . . 148 K C . 7416 1 519 . 1 1 148 148 LYS CA C 13 57.124 0.2 . 1 . . . . 148 K CA . 7416 1 520 . 1 1 148 148 LYS CB C 13 32.579 0.2 . 1 . . . . 148 K CB . 7416 1 521 . 1 1 148 148 LYS N N 15 126.815 0.2 . 1 . . . . 148 K N . 7416 1 stop_ save_ ################################ # Residual dipolar couplings # ################################ save_RDC_Tb _RDC_list.Sf_category RDCs _RDC_list.Sf_framecode RDC_Tb _RDC_list.Entry_ID 7416 _RDC_list.ID 1 _RDC_list.Sample_condition_list_ID 1 _RDC_list.Sample_condition_list_label $sample_conditions_1 _RDC_list.Spectrometer_frequency_1H 700.13 _RDC_list.Bond_length_usage_flag . _RDC_list.Dipolar_constraint_calib_method . _RDC_list.Mol_align_tensor_axial_sym_mol . _RDC_list.Mol_align_tensor_rhombic_mol . _RDC_list.General_order_param_int_motions . _RDC_list.Assumed_H_N_bond_length . _RDC_list.Assumed_H_C_bond_length . _RDC_list.Assumed_C_N_bond_length . _RDC_list.Details . _RDC_list.Text_data_format . _RDC_list.Text_data . loop_ _RDC_experiment.Experiment_ID _RDC_experiment.Experiment_name _RDC_experiment.Sample_ID _RDC_experiment.Sample_label _RDC_experiment.Sample_state _RDC_experiment.Entry_ID _RDC_experiment.RDC_list_ID 6 IPAP . . . 7416 1 stop_ loop_ _RDC_software.Software_ID _RDC_software.Software_label _RDC_software.Method_ID _RDC_software.Method_label _RDC_software.Entry_ID _RDC_software.RDC_list_ID 1 $TOPSPIN . . 7416 1 stop_ loop_ _RDC.ID _RDC.RDC_code _RDC.Assembly_atom_ID_1 _RDC.Entity_assembly_ID_1 _RDC.Entity_ID_1 _RDC.Comp_index_ID_1 _RDC.Seq_ID_1 _RDC.Comp_ID_1 _RDC.Atom_ID_1 _RDC.Atom_type_1 _RDC.Atom_isotope_number_1 _RDC.Ambiguity_code_1 _RDC.Assembly_atom_ID_2 _RDC.Entity_assembly_ID_2 _RDC.Entity_ID_2 _RDC.Comp_index_ID_2 _RDC.Seq_ID_2 _RDC.Comp_ID_2 _RDC.Atom_ID_2 _RDC.Atom_type_2 _RDC.Atom_isotope_number_2 _RDC.Ambiguity_code_2 _RDC.Val _RDC.Val_min _RDC.Val_max _RDC.Val_err _RDC.Val_bond_length _RDC.Resonance_ID_1 _RDC.Resonance_ID_2 _RDC.Auth_entity_assembly_ID_1 _RDC.Auth_seq_ID_1 _RDC.Auth_comp_ID_1 _RDC.Auth_atom_ID_1 _RDC.Auth_entity_assembly_ID_2 _RDC.Auth_seq_ID_2 _RDC.Auth_comp_ID_2 _RDC.Auth_atom_ID_2 _RDC.Entry_ID _RDC.RDC_list_ID 1 DNH . 1 1 2 2 ASP H H 1 . . 1 1 2 2 ASP N N 15 . 6.101 . . . . . . . . . . . . . . 7416 1 2 DNH . 1 1 3 3 GLN H H 1 . . 1 1 3 3 GLN N N 15 . 7.591 . . . . . . . . . . . . . . 7416 1 3 DNH . 1 1 4 4 LEU H H 1 . . 1 1 4 4 LEU N N 15 . -5.108 . . . . . . . . . . . . . . 7416 1 4 DNH . 1 1 5 5 THR H H 1 . . 1 1 5 5 THR N N 15 . -17.879 . . . . . . . . . . . . . . 7416 1 5 DNH . 1 1 6 6 GLU H H 1 . . 1 1 6 6 GLU N N 15 . 7.307 . . . . . . . . . . . . . . 7416 1 6 DNH . 1 1 7 7 GLU H H 1 . . 1 1 7 7 GLU N N 15 . 4.115 . . . . . . . . . . . . . . 7416 1 7 DNH . 1 1 8 8 GLN H H 1 . . 1 1 8 8 GLN N N 15 . 0.709 . . . . . . . . . . . . . . 7416 1 8 DNH . 1 1 9 9 ILE H H 1 . . 1 1 9 9 ILE N N 15 . 4.469 . . . . . . . . . . . . . . 7416 1 9 DNH . 1 1 10 10 ALA H H 1 . . 1 1 10 10 ALA N N 15 . 7.733 . . . . . . . . . . . . . . 7416 1 10 DNH . 1 1 11 11 GLU H H 1 . . 1 1 11 11 GLU N N 15 . 0.922 . . . . . . . . . . . . . . 7416 1 11 DNH . 1 1 12 12 PHE H H 1 . . 1 1 12 12 PHE N N 15 . -1.064 . . . . . . . . . . . . . . 7416 1 12 DNH . 1 1 13 13 LYS H H 1 . . 1 1 13 13 LYS N N 15 . 9.933 . . . . . . . . . . . . . . 7416 1 13 DNH . 1 1 14 14 GLU H H 1 . . 1 1 14 14 GLU N N 15 . 5.250 . . . . . . . . . . . . . . 7416 1 14 DNH . 1 1 15 15 ALA H H 1 . . 1 1 15 15 ALA N N 15 . 4.327 . . . . . . . . . . . . . . 7416 1 15 DNH . 1 1 16 16 PHE H H 1 . . 1 1 16 16 PHE N N 15 . 3.334 . . . . . . . . . . . . . . 7416 1 16 DNH . 1 1 17 17 SER H H 1 . . 1 1 17 17 SER N N 15 . 12.983 . . . . . . . . . . . . . . 7416 1 17 DNH . 1 1 18 18 LEU H H 1 . . 1 1 18 18 LEU N N 15 . 3.121 . . . . . . . . . . . . . . 7416 1 18 DNH . 1 1 19 19 PHE H H 1 . . 1 1 19 19 PHE N N 15 . 0.993 . . . . . . . . . . . . . . 7416 1 19 DNH . 1 1 20 20 ASP H H 1 . . 1 1 20 20 ASP N N 15 . 3.760 . . . . . . . . . . . . . . 7416 1 20 DNH . 1 1 37 37 ARG H H 1 . . 1 1 37 37 ARG N N 15 . -20.220 . . . . . . . . . . . . . . 7416 1 21 DNH . 1 1 38 38 SER H H 1 . . 1 1 38 38 SER N N 15 . -23.555 . . . . . . . . . . . . . . 7416 1 22 DNH . 1 1 39 39 LEU H H 1 . . 1 1 39 39 LEU N N 15 . -7.024 . . . . . . . . . . . . . . 7416 1 23 DNH . 1 1 40 40 GLY H H 1 . . 1 1 40 40 GLY N N 15 . -11.139 . . . . . . . . . . . . . . 7416 1 24 DNH . 1 1 41 41 GLN H H 1 . . 1 1 41 41 GLN N N 15 . -1.702 . . . . . . . . . . . . . . 7416 1 25 DNH . 1 1 45 45 GLU H H 1 . . 1 1 45 45 GLU N N 15 . 2.341 . . . . . . . . . . . . . . 7416 1 26 DNH . 1 1 46 46 ALA H H 1 . . 1 1 46 46 ALA N N 15 . -3.689 . . . . . . . . . . . . . . 7416 1 27 DNH . 1 1 47 47 GLU H H 1 . . 1 1 47 47 GLU N N 15 . -9.862 . . . . . . . . . . . . . . 7416 1 28 DNH . 1 1 50 50 ASP H H 1 . . 1 1 50 50 ASP N N 15 . -7.875 . . . . . . . . . . . . . . 7416 1 29 DNH . 1 1 76 76 MET H H 1 . . 1 1 76 76 MET N N 15 . -21.923 . . . . . . . . . . . . . . 7416 1 30 DNH . 1 1 77 77 LYS H H 1 . . 1 1 77 77 LYS N N 15 . -7.165 . . . . . . . . . . . . . . 7416 1 31 DNH . 1 1 78 78 ASP H H 1 . . 1 1 78 78 ASP N N 15 . -6.882 . . . . . . . . . . . . . . 7416 1 32 DNH . 1 1 79 79 THR H H 1 . . 1 1 79 79 THR N N 15 . -3.334 . . . . . . . . . . . . . . 7416 1 33 DNH . 1 1 80 80 ASP H H 1 . . 1 1 80 80 ASP N N 15 . 4.115 . . . . . . . . . . . . . . 7416 1 34 DNH . 1 1 81 81 SER H H 1 . . 1 1 81 81 SER N N 15 . -3.902 . . . . . . . . . . . . . . 7416 1 35 DNH . 1 1 82 82 GLU H H 1 . . 1 1 82 82 GLU N N 15 . -1.702 . . . . . . . . . . . . . . 7416 1 36 DNH . 1 1 83 83 GLU H H 1 . . 1 1 83 83 GLU N N 15 . -8.939 . . . . . . . . . . . . . . 7416 1 37 DNH . 1 1 84 84 GLU H H 1 . . 1 1 84 84 GLU N N 15 . -4.895 . . . . . . . . . . . . . . 7416 1 38 DNH . 1 1 85 85 ILE H H 1 . . 1 1 85 85 ILE N N 15 . -4.327 . . . . . . . . . . . . . . 7416 1 39 DNH . 1 1 86 86 ARG H H 1 . . 1 1 86 86 ARG N N 15 . -4.257 . . . . . . . . . . . . . . 7416 1 40 DNH . 1 1 87 87 GLU H H 1 . . 1 1 87 87 GLU N N 15 . -5.605 . . . . . . . . . . . . . . 7416 1 41 DNH . 1 1 88 88 ALA H H 1 . . 1 1 88 88 ALA N N 15 . -2.838 . . . . . . . . . . . . . . 7416 1 42 DNH . 1 1 89 89 PHE H H 1 . . 1 1 89 89 PHE N N 15 . -3.689 . . . . . . . . . . . . . . 7416 1 43 DNH . 1 1 90 90 ARG H H 1 . . 1 1 90 90 ARG N N 15 . -3.760 . . . . . . . . . . . . . . 7416 1 44 DNH . 1 1 91 91 VAL H H 1 . . 1 1 91 91 VAL N N 15 . -6.811 . . . . . . . . . . . . . . 7416 1 45 DNH . 1 1 92 92 PHE H H 1 . . 1 1 92 92 PHE N N 15 . -3.831 . . . . . . . . . . . . . . 7416 1 46 DNH . 1 1 93 93 ASP H H 1 . . 1 1 93 93 ASP N N 15 . -5.037 . . . . . . . . . . . . . . 7416 1 47 DNH . 1 1 94 94 LYS H H 1 . . 1 1 94 94 LYS N N 15 . 8.230 . . . . . . . . . . . . . . 7416 1 48 DNH . 1 1 95 95 ASP H H 1 . . 1 1 95 95 ASP N N 15 . 22.916 . . . . . . . . . . . . . . 7416 1 49 DNH . 1 1 96 96 GLY H H 1 . . 1 1 96 96 GLY N N 15 . -14.544 . . . . . . . . . . . . . . 7416 1 50 DNH . 1 1 97 97 ASN H H 1 . . 1 1 97 97 ASN N N 15 . -9.365 . . . . . . . . . . . . . . 7416 1 51 DNH . 1 1 98 98 GLY H H 1 . . 1 1 98 98 GLY N N 15 . -0.922 . . . . . . . . . . . . . . 7416 1 52 DNH . 1 1 99 99 TYR H H 1 . . 1 1 99 99 TYR N N 15 . 10.003 . . . . . . . . . . . . . . 7416 1 53 DNH . 1 1 100 100 ILE H H 1 . . 1 1 100 100 ILE N N 15 . 8.868 . . . . . . . . . . . . . . 7416 1 54 DNH . 1 1 101 101 SER H H 1 . . 1 1 101 101 SER N N 15 . 24.193 . . . . . . . . . . . . . . 7416 1 55 DNH . 1 1 102 102 ALA H H 1 . . 1 1 102 102 ALA N N 15 . -6.456 . . . . . . . . . . . . . . 7416 1 56 DNH . 1 1 103 103 ALA H H 1 . . 1 1 103 103 ALA N N 15 . -18.94 . . . . . . . . . . . . . . 7416 1 57 DNH . 1 1 104 104 GLU H H 1 . . 1 1 104 104 GLU N N 15 . -4.39 . . . . . . . . . . . . . . 7416 1 58 DNH . 1 1 105 105 LEU H H 1 . . 1 1 105 105 LEU N N 15 . -0.63 . . . . . . . . . . . . . . 7416 1 59 DNH . 1 1 106 106 ARG H H 1 . . 1 1 106 106 ARG N N 15 . -15.467 . . . . . . . . . . . . . . 7416 1 60 DNH . 1 1 107 107 HIS H H 1 . . 1 1 107 107 HIS N N 15 . -14.331 . . . . . . . . . . . . . . 7416 1 61 DNH . 1 1 108 108 VAL H H 1 . . 1 1 108 108 VAL N N 15 . -3.547 . . . . . . . . . . . . . . 7416 1 62 DNH . 1 1 109 109 MET H H 1 . . 1 1 109 109 MET N N 15 . -7.946 . . . . . . . . . . . . . . 7416 1 63 DNH . 1 1 110 110 THR H H 1 . . 1 1 110 110 THR N N 15 . -20.078 . . . . . . . . . . . . . . 7416 1 64 DNH . 1 1 111 111 ASN H H 1 . . 1 1 111 111 ASN N N 15 . -16.034 . . . . . . . . . . . . . . 7416 1 65 DNH . 1 1 112 112 LEU H H 1 . . 1 1 112 112 LEU N N 15 . 2.341 . . . . . . . . . . . . . . 7416 1 66 DNH . 1 1 113 113 GLY H H 1 . . 1 1 113 113 GLY N N 15 . -20.291 . . . . . . . . . . . . . . 7416 1 67 DNH . 1 1 114 114 GLU H H 1 . . 1 1 114 114 GLU N N 15 . -11.281 . . . . . . . . . . . . . . 7416 1 68 DNH . 1 1 115 115 LYS H H 1 . . 1 1 115 115 LYS N N 15 . -16.034 . . . . . . . . . . . . . . 7416 1 69 DNH . 1 1 116 116 LEU H H 1 . . 1 1 116 116 LEU N N 15 . 7.307 . . . . . . . . . . . . . . 7416 1 70 DNH . 1 1 117 117 THR H H 1 . . 1 1 117 117 THR N N 15 . -1.702 . . . . . . . . . . . . . . 7416 1 71 DNH . 1 1 118 118 ASP H H 1 . . 1 1 118 118 ASP N N 15 . -3.263 . . . . . . . . . . . . . . 7416 1 72 DNH . 1 1 119 119 GLU H H 1 . . 1 1 119 119 GLU N N 15 . -7.236 . . . . . . . . . . . . . . 7416 1 73 DNH . 1 1 120 120 GLU H H 1 . . 1 1 120 120 GLU N N 15 . -1.135 . . . . . . . . . . . . . . 7416 1 74 DNH . 1 1 121 121 VAL H H 1 . . 1 1 121 121 VAL N N 15 . -2.625 . . . . . . . . . . . . . . 7416 1 75 DNH . 1 1 122 122 ASP H H 1 . . 1 1 122 122 ASP N N 15 . -4.469 . . . . . . . . . . . . . . 7416 1 76 DNH . 1 1 123 123 GLU H H 1 . . 1 1 123 123 GLU N N 15 . -4.824 . . . . . . . . . . . . . . 7416 1 77 DNH . 1 1 124 124 MET H H 1 . . 1 1 124 124 MET N N 15 . -0.212 . . . . . . . . . . . . . . 7416 1 78 DNH . 1 1 125 125 ILE H H 1 . . 1 1 125 125 ILE N N 15 . -3.405 . . . . . . . . . . . . . . 7416 1 79 DNH . 1 1 126 126 ARG H H 1 . . 1 1 126 126 ARG N N 15 . -6.456 . . . . . . . . . . . . . . 7416 1 80 DNH . 1 1 127 127 GLU H H 1 . . 1 1 127 127 GLU N N 15 . 3.973 . . . . . . . . . . . . . . 7416 1 81 DNH . 1 1 128 128 ALA H H 1 . . 1 1 128 128 ALA N N 15 . -0.780 . . . . . . . . . . . . . . 7416 1 82 DNH . 1 1 129 129 ASP H H 1 . . 1 1 129 129 ASP N N 15 . -4.753 . . . . . . . . . . . . . . 7416 1 83 DNH . 1 1 130 130 ILE H H 1 . . 1 1 130 130 ILE N N 15 . 19.227 . . . . . . . . . . . . . . 7416 1 84 DNH . 1 1 131 131 ASP H H 1 . . 1 1 131 131 ASP N N 15 . 24.123 . . . . . . . . . . . . . . 7416 1 85 DNH . 1 1 132 132 GLY H H 1 . . 1 1 132 132 GLY N N 15 . -9.223 . . . . . . . . . . . . . . 7416 1 86 DNH . 1 1 133 133 ASP H H 1 . . 1 1 133 133 ASP N N 15 . -1.489 . . . . . . . . . . . . . . 7416 1 87 DNH . 1 1 134 134 GLY H H 1 . . 1 1 134 134 GLY N N 15 . 0.354 . . . . . . . . . . . . . . 7416 1 88 DNH . 1 1 135 135 GLN H H 1 . . 1 1 135 135 GLN N N 15 . 0.425 . . . . . . . . . . . . . . 7416 1 89 DNH . 1 1 136 136 VAL H H 1 . . 1 1 136 136 VAL N N 15 . 12.274 . . . . . . . . . . . . . . 7416 1 90 DNH . 1 1 137 137 ASN H H 1 . . 1 1 137 137 ASN N N 15 . 25.329 . . . . . . . . . . . . . . 7416 1 91 DNH . 1 1 138 138 TYR H H 1 . . 1 1 138 138 TYR N N 15 . -16.602 . . . . . . . . . . . . . . 7416 1 92 DNH . 1 1 139 139 GLU H H 1 . . 1 1 139 139 GLU N N 15 . -22.136 . . . . . . . . . . . . . . 7416 1 93 DNH . 1 1 140 140 GLU H H 1 . . 1 1 140 140 GLU N N 15 . -11.777 . . . . . . . . . . . . . . 7416 1 94 DNH . 1 1 141 141 PHE H H 1 . . 1 1 141 141 PHE N N 15 . -11.281 . . . . . . . . . . . . . . 7416 1 95 DNH . 1 1 142 142 VAL H H 1 . . 1 1 142 142 VAL N N 15 . -20.504 . . . . . . . . . . . . . . 7416 1 96 DNH . 1 1 143 143 GLN H H 1 . . 1 1 143 143 GLN N N 15 . -22.278 . . . . . . . . . . . . . . 7416 1 97 DNH . 1 1 144 144 MET H H 1 . . 1 1 144 144 MET N N 15 . -9.578 . . . . . . . . . . . . . . 7416 1 98 DNH . 1 1 145 145 MET H H 1 . . 1 1 145 145 MET N N 15 . -19.653 . . . . . . . . . . . . . . 7416 1 99 DNH . 1 1 146 146 THR H H 1 . . 1 1 146 146 THR N N 15 . -15.041 . . . . . . . . . . . . . . 7416 1 100 DNH . 1 1 147 147 ALA H H 1 . . 1 1 147 147 ALA N N 15 . -4.469 . . . . . . . . . . . . . . 7416 1 101 DNH . 1 1 148 148 LYS H H 1 . . 1 1 148 148 LYS N N 15 . -0.425 . . . . . . . . . . . . . . 7416 1 stop_ save_