data_7423 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 7423 _Entry.Title ; Solution structure of CaM complexed to DAPk peptide ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2008-07-02 _Entry.Accession_date 2008-07-02 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.8.116 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Ivano Bertini . . . 7423 2 Claudio Luchinat . . . 7423 3 Giacomo Parigi . . . 7423 4 Jing Yuan . . . 7423 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'not applicable' 'not applicable' . 7423 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID calmodulin . 7423 'DAPk peptide' . 7423 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 7423 RDCs 1 7423 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 365 7423 '15N chemical shifts' 129 7423 '1H chemical shifts' 129 7423 'residual dipolar couplings' 109 7423 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2009-04-24 2008-07-02 update BMRB 'complete entry citation' 7423 1 . . 2009-04-04 2008-07-02 original author 'original release' 7423 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 15852 '4Ca and CaM and DAPk complex' 7423 BMRB 7424 '3CaTb and CaM and DAPk complex' 7423 BMRB 7425 '3CaTm and CaM and DAPk complex' 7423 PDB 2K61 'BMRB Entry Tracking System' 7423 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 7423 _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 . . . 7423 1 2 Petri Kursula . . . 7423 1 3 Claudio Luchinat . . . 7423 1 4 Giacomo Parigi . . . 7423 1 5 Juha Vahokoski . . . 7423 1 6 Matthias Wilmanns . . . 7423 1 7 Jing Yuan . . . 7423 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 7423 _Assembly.ID 1 _Assembly.Name calmodulin _Assembly.BMRB_code . _Assembly.Number_of_components 5 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass 17000 _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 . . 'N60D mutation' 7423 1 2 'CALCIUM ION, 1' 2 $CA B . no native no no . . 'metal ions: Ca2+ or lanthanides ions' 7423 1 3 'CALCIUM ION, 2' 2 $CA B . no native no no . . 'metal ions: Ca2+ or lanthanides ions' 7423 1 4 'CALCIUM ION, 3' 2 $CA B . no native no no . . 'metal ions: Ca2+ or lanthanides ions' 7423 1 5 'YTTERBIUM (III) ION' 3 $YB B . no native no no . . 'metal ions: Ca2+ or lanthanides ions' 7423 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_calmodulin _Entity.Sf_category entity _Entity.Sf_framecode calmodulin _Entity.Entry_ID 7423 _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 . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _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 . . . . 7423 1 2 no BMRB 15184 . calmodulin . . . . . 100.00 148 99.32 100.00 2.26e-99 . . . . 7423 1 3 no BMRB 15185 . calmodulin . . . . . 100.00 148 99.32 100.00 2.26e-99 . . . . 7423 1 4 no BMRB 15186 . calmodulin . . . . . 100.00 148 99.32 100.00 2.26e-99 . . . . 7423 1 5 no BMRB 15187 . calmodulin . . . . . 100.00 149 97.97 100.00 1.53e-98 . . . . 7423 1 6 no BMRB 15188 . calmodulin . . . . . 100.00 148 98.65 100.00 5.24e-99 . . . . 7423 1 7 no BMRB 15191 . Calmodulin . . . . . 100.00 148 99.32 100.00 2.26e-99 . . . . 7423 1 8 no BMRB 15470 . calmodulin . . . . . 100.00 148 98.65 100.00 8.29e-99 . . . . 7423 1 9 no BMRB 15624 . Calmodulin . . . . . 100.00 148 99.32 100.00 2.26e-99 . . . . 7423 1 10 no BMRB 15650 . calmodulin . . . . . 100.00 148 100.00 100.00 7.10e-100 . . . . 7423 1 11 no BMRB 15852 . calmodulin . . . . . 100.00 148 100.00 100.00 7.10e-100 . . . . 7423 1 12 no BMRB 16418 . apoCaM . . . . . 100.00 148 99.32 100.00 2.26e-99 . . . . 7423 1 13 no BMRB 16465 . entity_1 . . . . . 100.00 148 99.32 100.00 2.26e-99 . . . . 7423 1 14 no BMRB 16764 . CALMODULIN . . . . . 100.00 150 99.32 100.00 2.42e-99 . . . . 7423 1 15 no BMRB 17264 . calmodulin . . . . . 100.00 148 99.32 100.00 2.26e-99 . . . . 7423 1 16 no BMRB 17360 . entity_1 . . . . . 100.00 148 99.32 100.00 2.26e-99 . . . . 7423 1 17 no BMRB 17771 . Calmodulin . . . . . 100.00 148 99.32 100.00 2.26e-99 . . . . 7423 1 18 no BMRB 17807 . Calmodulin . . . . . 99.32 147 99.32 100.00 1.08e-98 . . . . 7423 1 19 no BMRB 18027 . CaM . . . . . 100.00 148 99.32 100.00 2.26e-99 . . . . 7423 1 20 no BMRB 18028 . CaM . . . . . 100.00 148 99.32 100.00 2.26e-99 . . . . 7423 1 21 no BMRB 18556 . Calmodulin . . . . . 100.00 148 97.97 99.32 1.18e-97 . . . . 7423 1 22 no BMRB 19036 . calmodulin . . . . . 100.00 148 99.32 100.00 2.26e-99 . . . . 7423 1 23 no BMRB 19238 . Calmodulin_prototypical_calcium_sensor . . . . . 100.00 148 99.32 100.00 2.26e-99 . . . . 7423 1 24 no BMRB 19586 . entity_1 . . . . . 100.00 148 99.32 100.00 2.26e-99 . . . . 7423 1 25 no BMRB 19604 . calmodulin . . . . . 100.00 148 99.32 100.00 2.26e-99 . . . . 7423 1 26 no BMRB 26503 . Calmodulin . . . . . 100.00 148 99.32 100.00 2.26e-99 . . . . 7423 1 27 no BMRB 4056 . calmodulin . . . . . 100.00 148 99.32 100.00 2.26e-99 . . . . 7423 1 28 no BMRB 5227 . CaM . . . . . 100.00 148 99.32 100.00 2.26e-99 . . . . 7423 1 29 no BMRB 6541 . calmodulin . . . . . 100.00 148 99.32 100.00 2.26e-99 . . . . 7423 1 30 no BMRB 6798 . calmodulin . . . . . 100.00 148 99.32 100.00 2.26e-99 . . . . 7423 1 31 no BMRB 6802 . calmodulin . . . . . 100.00 148 97.97 99.32 1.57e-97 . . . . 7423 1 32 no BMRB 6825 . calmodulin . . . . . 100.00 148 97.97 99.32 1.57e-97 . . . . 7423 1 33 no BMRB 6830 . calmodulin . . . . . 100.00 148 99.32 100.00 2.26e-99 . . . . 7423 1 34 no BMRB 6831 . calmodulin . . . . . 100.00 148 99.32 100.00 2.26e-99 . . . . 7423 1 35 no BMRB 7018 . calmodulin . . . . . 100.00 148 99.32 100.00 2.26e-99 . . . . 7423 1 36 no BMRB 7028 . calmodulin . . . . . 100.00 148 97.97 99.32 1.57e-97 . . . . 7423 1 37 no BMRB 7029 . calmodulin . . . . . 100.00 148 97.97 99.32 1.57e-97 . . . . 7423 1 38 no BMRB 7030 . calmodulin . . . . . 100.00 148 97.97 99.32 1.57e-97 . . . . 7423 1 39 no BMRB 7031 . calmodulin . . . . . 100.00 148 97.97 99.32 1.57e-97 . . . . 7423 1 40 no BMRB 7416 . calmodulin . . . . . 100.00 148 100.00 100.00 7.10e-100 . . . . 7423 1 41 no BMRB 7417 . calmodulin . . . . . 100.00 148 100.00 100.00 7.10e-100 . . . . 7423 1 42 no BMRB 7418 . calmodulin . . . . . 100.00 148 100.00 100.00 7.10e-100 . . . . 7423 1 43 no BMRB 7424 . calmodulin . . . . . 100.00 148 100.00 100.00 7.10e-100 . . . . 7423 1 44 no BMRB 7425 . calmodulin . . . . . 100.00 148 100.00 100.00 7.10e-100 . . . . 7423 1 45 no PDB 1A29 . "Calmodulin Complexed With Trifluoperazine (1:2 Complex)" . . . . . 100.00 148 99.32 100.00 2.26e-99 . . . . 7423 1 46 no PDB 1CFC . "Calcium-Free Calmodulin" . . . . . 100.00 148 99.32 100.00 2.26e-99 . . . . 7423 1 47 no PDB 1CFD . "Calcium-Free Calmodulin" . . . . . 100.00 148 99.32 100.00 2.26e-99 . . . . 7423 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 . . . . 7423 1 49 no PDB 1CKK . "CalmodulinRAT CA2+CALMODULIN DEPENDENT PROTEIN KINASE Fragment" . . . . . 100.00 148 99.32 100.00 2.26e-99 . . . . 7423 1 50 no PDB 1CLL . "Calmodulin Structure Refined At 1.7 Angstroms Resolution" . . . . . 100.00 148 99.32 100.00 2.26e-99 . . . . 7423 1 51 no PDB 1CM1 . "Motions Of Calmodulin-Single-Conformer Refinement" . . . . . 100.00 148 99.32 100.00 2.26e-99 . . . . 7423 1 52 no PDB 1CM4 . "Motions Of Calmodulin-four-conformer Refinement" . . . . . 100.00 148 99.32 100.00 2.26e-99 . . . . 7423 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 . . . . 7423 1 54 no PDB 1DMO . "Calmodulin, Nmr, 30 Structures" . . . . . 100.00 148 98.65 100.00 8.29e-99 . . . . 7423 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 . . . . 7423 1 56 no PDB 1IQ5 . "CalmodulinNEMATODE CA2+CALMODULIN DEPENDENT KINASE KINASE Fragment" . . . . . 100.00 149 99.32 100.00 2.64e-99 . . . . 7423 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 . . . . 7423 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 . . . . 7423 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 . . . . 7423 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 . . . . 7423 1 61 no PDB 1LIN . "Calmodulin Complexed With Trifluoperazine (1:4 Complex)" . . . . . 100.00 148 99.32 100.00 2.26e-99 . . . . 7423 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 . . . . 7423 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 . . . . 7423 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 . . . . 7423 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 . . . . 7423 1 66 no PDB 1OOJ . "Structural Genomics Of Caenorhabditis Elegans : Calmodulin" . . . . . 100.00 149 97.30 98.65 7.98e-97 . . . . 7423 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 . . . . 7423 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 . . . . 7423 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 . . . . 7423 1 70 no PDB 1QX5 . "Crystal Structure Of Apocalmodulin" . . . . . 100.00 148 99.32 100.00 2.26e-99 . . . . 7423 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 . . . . 7423 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 . . . . 7423 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 . . . . 7423 1 74 no PDB 1UP5 . "Chicken Calmodulin" . . . . . 100.00 148 98.65 99.32 1.82e-98 . . . . 7423 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 . . . . 7423 1 76 no PDB 1X02 . "Solution Structure Of Stereo Array Isotope Labeled (Sail) Calmodulin" . . . . . 100.00 148 99.32 100.00 2.26e-99 . . . . 7423 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 . . . . 7423 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 . . . . 7423 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 . . . . 7423 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 . . . . 7423 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 . . . . 7423 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 . . . . 7423 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 . . . . 7423 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 . . . . 7423 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 . . . . 7423 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 . . . . 7423 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 . . . . 7423 1 88 no PDB 2BKH . "Myosin Vi Nucleotide-Free (Mdinsert2) Crystal Structure" . . . . . 100.00 149 97.30 99.32 3.48e-97 . . . . 7423 1 89 no PDB 2BKI . "Myosin Vi Nucleotide-Free (Mdinsert2-Iq) Crystal Structure" . . . . . 100.00 149 99.32 100.00 2.64e-99 . . . . 7423 1 90 no PDB 2DFS . "3-D Structure Of Myosin-V Inhibited State" . . . . . 100.00 148 99.32 100.00 2.26e-99 . . . . 7423 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 . . . . 7423 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 . . . . 7423 1 93 no PDB 2F3Y . "CalmodulinIQ DOMAIN COMPLEX" . . . . . 100.00 148 99.32 100.00 2.26e-99 . . . . 7423 1 94 no PDB 2F3Z . "CalmodulinIQ-Aa Domain Complex" . . . . . 100.00 148 99.32 100.00 2.26e-99 . . . . 7423 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 . . . . 7423 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 . . . . 7423 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 . . . . 7423 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 . . . . 7423 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 . . . . 7423 1 100 no PDB 2K0J . "Solution Structure Of Cam Complexed To Drp1p" . . . . . 100.00 148 100.00 100.00 7.10e-100 . . . . 7423 1 101 no PDB 2K61 . "Solution Structure Of Cam Complexed To Dapk Peptide" . . . . . 100.00 148 100.00 100.00 7.10e-100 . . . . 7423 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 . . . . 7423 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 . . . . 7423 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 . . . . 7423 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 . . . . 7423 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 . . . . 7423 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 . . . . 7423 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 . . . . 7423 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 . . . . 7423 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 . . . . 7423 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 . . . . 7423 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 . . . . 7423 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 . . . . 7423 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 . . . . 7423 1 115 no PDB 2O5G . "Calmodulin-Smooth Muscle Light Chain Kinase Peptide Complex" . . . . . 100.00 148 99.32 100.00 2.26e-99 . . . . 7423 1 116 no PDB 2O60 . "Calmodulin Bound To Peptide From Neuronal Nitric Oxide Synthase" . . . . . 100.00 148 99.32 100.00 2.26e-99 . . . . 7423 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 . . . . 7423 1 118 no PDB 2V01 . "Recombinant Vertebrate Calmodulin Complexed With Pb" . . . . . 100.00 149 99.32 100.00 2.64e-99 . . . . 7423 1 119 no PDB 2V02 . "Recombinant Vertebrate Calmodulin Complexed With Ba" . . . . . 100.00 149 99.32 100.00 2.64e-99 . . . . 7423 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 . . . . 7423 1 121 no PDB 2VAY . "Calmodulin Complexed With Cav1.1 Iq Peptide" . . . . . 98.65 146 99.32 100.00 5.85e-98 . . . . 7423 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 . . . . 7423 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 . . . . 7423 1 124 no PDB 2X0G . "X-ray Structure Of A Dap-kinase Calmodulin Complex" . . . . . 100.00 148 99.32 100.00 2.26e-99 . . . . 7423 1 125 no PDB 2X51 . "M6 Delta Insert1" . . . . . 100.00 149 97.30 99.32 3.48e-97 . . . . 7423 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 . . . . 7423 1 127 no PDB 2YGG . "Complex Of Cambr And Cam" . . . . . 100.00 150 99.32 100.00 3.01e-99 . . . . 7423 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 . . . . 7423 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 . . . . 7423 1 130 no PDB 3BYA . "Structure Of A Calmodulin Complex" . . . . . 100.00 148 99.32 100.00 2.26e-99 . . . . 7423 1 131 no PDB 3CLN . "Structure Of Calmodulin Refined At 2.2 Angstroms Resolution" . . . . . 100.00 148 98.65 100.00 8.29e-99 . . . . 7423 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 . . . . 7423 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 . . . . 7423 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 . . . . 7423 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 . . . . 7423 1 136 no PDB 3EK4 . "Calcium-saturated Gcamp2 Monomer" . . . . . 99.32 449 99.32 100.00 4.06e-95 . . . . 7423 1 137 no PDB 3EK7 . "Calcium-Saturated Gcamp2 Dimer" . . . . . 99.32 449 99.32 100.00 4.06e-95 . . . . 7423 1 138 no PDB 3EK8 . "Calcium-Saturated Gcamp2 T116vG87R MUTANT MONOMER" . . . . . 99.32 449 99.32 100.00 4.77e-95 . . . . 7423 1 139 no PDB 3EKH . "Calcium-Saturated Gcamp2 T116vK378W MUTANT MONOMER" . . . . . 99.32 449 98.64 99.32 4.10e-94 . . . . 7423 1 140 no PDB 3EVU . "Crystal Structure Of Calcium Bound Dimeric Gcamp2, (#1)" . . . . . 99.32 449 99.32 100.00 4.06e-95 . . . . 7423 1 141 no PDB 3EVV . "Crystal Structure Of Calcium Bound Dimeric Gcamp2 (#2)" . . . . . 99.32 449 99.32 100.00 4.06e-95 . . . . 7423 1 142 no PDB 3EWT . "Crystal Structure Of Calmodulin Complexed With A Peptide" . . . . . 100.00 154 99.32 100.00 1.23e-99 . . . . 7423 1 143 no PDB 3EWV . "Crystal Structure Of Calmodulin Complexed With A Peptide" . . . . . 100.00 154 99.32 100.00 1.23e-99 . . . . 7423 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 . . . . 7423 1 145 no PDB 3GN4 . "Myosin Lever Arm" . . . . . 100.00 149 97.30 99.32 3.48e-97 . . . . 7423 1 146 no PDB 3GOF . "Calmodulin Bound To Peptide From Macrophage Nitric Oxide Synthase" . . . . . 100.00 148 99.32 100.00 2.26e-99 . . . . 7423 1 147 no PDB 3HR4 . "Human Inos Reductase And Calmodulin Complex" . . . . . 100.00 149 99.32 100.00 2.64e-99 . . . . 7423 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 . . . . 7423 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 . . . . 7423 1 150 no PDB 3L9I . "Myosin Vi Nucleotide-Free (Mdinsert2) L310g Mutant Crystal Structure" . . . . . 100.00 149 97.30 99.32 3.48e-97 . . . . 7423 1 151 no PDB 3O77 . "The Structure Of Ca2+ Sensor (Case-16)" . . . . . 99.32 415 99.32 100.00 2.10e-95 . . . . 7423 1 152 no PDB 3O78 . "The Structure Of Ca2+ Sensor (Case-12)" . . . . . 99.32 415 99.32 100.00 2.10e-95 . . . . 7423 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 . . . . 7423 1 154 no PDB 3SG2 . "Crystal Structure Of Gcamp2-t116v,d381y" . . . . . 99.32 449 98.64 99.32 6.67e-94 . . . . 7423 1 155 no PDB 3SG3 . "Crystal Structure Of Gcamp3-d380y" . . . . . 99.32 449 99.32 99.32 2.01e-94 . . . . 7423 1 156 no PDB 3SG4 . "Crystal Structure Of Gcamp3-d380y, Lp(linker 2)" . . . . . 100.00 448 98.65 98.65 1.68e-94 . . . . 7423 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 . . . . 7423 1 158 no PDB 3SG6 . "Crystal Structure Of Dimeric Gcamp2-lia(linker 1)" . . . . . 99.32 450 99.32 100.00 4.09e-95 . . . . 7423 1 159 no PDB 3SG7 . "Crystal Structure Of Gcamp3-kf(linker 1)" . . . . . 99.32 448 100.00 100.00 1.37e-95 . . . . 7423 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 . . . . 7423 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 . . . . 7423 1 162 no PDB 3U0K . "Crystal Structure Of The Genetically Encoded Calcium Indicator Rcamp" . . . . . 99.32 440 99.32 99.32 3.86e-95 . . . . 7423 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 . . . . 7423 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 . . . . 7423 1 165 no PDB 4BW7 . "Calmodulin In Complex With Strontium" . . . . . 100.00 149 99.32 100.00 2.64e-99 . . . . 7423 1 166 no PDB 4BW8 . "Calmodulin With Small Bend In Central Helix" . . . . . 100.00 149 99.32 100.00 2.64e-99 . . . . 7423 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 . . . . 7423 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 . . . . 7423 1 169 no PDB 4DBP . "Myosin Vi Nucleotide-free (mdinsert2) D179y Crystal Structure" . . . . . 100.00 149 97.30 99.32 3.48e-97 . . . . 7423 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 . . . . 7423 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 . . . . 7423 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 . . . . 7423 1 173 no PDB 4E50 . "Calmodulin And Ng Peptide Complex" . . . . . 100.00 185 99.32 100.00 1.30e-99 . . . . 7423 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 . . . . 7423 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 . . . . 7423 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 . . . . 7423 1 177 no PDB 4HEX . "A Novel Conformation Of Calmodulin" . . . . . 100.00 156 99.32 100.00 1.01e-99 . . . . 7423 1 178 no PDB 4IK1 . "High Resolution Structure Of Gcampj At Ph 8.5" . . . . . 99.32 448 99.32 99.32 1.91e-94 . . . . 7423 1 179 no PDB 4IK3 . "High Resolution Structure Of Gcamp3 At Ph 8.5" . . . . . 99.32 448 100.00 100.00 1.46e-95 . . . . 7423 1 180 no PDB 4IK4 . "High Resolution Structure Of Gcamp3 At Ph 5.0" . . . . . 99.32 448 100.00 100.00 1.46e-95 . . . . 7423 1 181 no PDB 4IK5 . "High Resolution Structure Of Delta-rest-gcamp3" . . . . . 99.32 414 100.00 100.00 5.40e-96 . . . . 7423 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 . . . . 7423 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 . . . . 7423 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 . . . . 7423 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 . . . . 7423 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 . . . . 7423 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 . . . . 7423 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 . . . . 7423 1 189 no PDB 4LZX . "Complex Of Iqcg And Ca2+-free Cam" . . . . . 100.00 148 99.32 100.00 2.26e-99 . . . . 7423 1 190 no PDB 4M1L . "Complex Of Iqcg And Ca2+-bound Cam" . . . . . 100.00 148 99.32 100.00 2.26e-99 . . . . 7423 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 . . . . 7423 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 . . . . 7423 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 . . . . 7423 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 . . . . 7423 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 . . . . 7423 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 . . . . 7423 1 197 no DBJ BAA08302 . "calmodulin [Homo sapiens]" . . . . . 100.00 149 99.32 100.00 2.64e-99 . . . . 7423 1 198 no DBJ BAA11896 . "calmodulin [Anas platyrhynchos]" . . . . . 100.00 149 99.32 100.00 2.64e-99 . . . . 7423 1 199 no DBJ BAA19786 . "calmodulin [Branchiostoma lanceolatum]" . . . . . 100.00 149 97.30 99.32 3.48e-97 . . . . 7423 1 200 no DBJ BAA19787 . "calmodulin [Branchiostoma floridae]" . . . . . 100.00 149 97.30 99.32 3.48e-97 . . . . 7423 1 201 no DBJ BAA19788 . "calmodulin [Halocynthia roretzi]" . . . . . 100.00 149 97.30 99.32 3.48e-97 . . . . 7423 1 202 no EMBL CAA10601 . "calmodulin [Caenorhabditis elegans]" . . . . . 100.00 149 97.30 98.65 7.98e-97 . . . . 7423 1 203 no EMBL CAA32050 . "calmodulin [Rattus norvegicus]" . . . . . 100.00 149 99.32 100.00 2.64e-99 . . . . 7423 1 204 no EMBL CAA32062 . "calmodulin II [Rattus norvegicus]" . . . . . 100.00 149 99.32 100.00 2.64e-99 . . . . 7423 1 205 no EMBL CAA32119 . "calmodulin [Rattus norvegicus]" . . . . . 100.00 149 99.32 100.00 2.64e-99 . . . . 7423 1 206 no EMBL CAA32120 . "calmodulin [Rattus norvegicus]" . . . . . 100.00 149 99.32 100.00 2.64e-99 . . . . 7423 1 207 no GB AAA35635 . "calmodulin [Homo sapiens]" . . . . . 100.00 149 99.32 100.00 2.64e-99 . . . . 7423 1 208 no GB AAA35641 . "calmodulin [Homo sapiens]" . . . . . 100.00 149 99.32 100.00 2.64e-99 . . . . 7423 1 209 no GB AAA37365 . "calmodulin synthesis [Mus musculus]" . . . . . 100.00 149 99.32 100.00 2.64e-99 . . . . 7423 1 210 no GB AAA40862 . "calmodulin [Rattus norvegicus]" . . . . . 100.00 149 99.32 100.00 2.64e-99 . . . . 7423 1 211 no GB AAA40863 . "calmodulin [Rattus norvegicus]" . . . . . 100.00 149 99.32 100.00 2.64e-99 . . . . 7423 1 212 no PIR JC1305 . "calmodulin - Japanese medaka" . . . . . 100.00 149 99.32 100.00 2.64e-99 . . . . 7423 1 213 no PIR MCON . "calmodulin - salmon" . . . . . 100.00 148 99.32 100.00 2.26e-99 . . . . 7423 1 214 no PRF 0608335A . calmodulin . . . . . 100.00 148 98.65 99.32 7.13e-98 . . . . 7423 1 215 no PRF 0711223A . calmodulin . . . . . 100.00 148 97.30 99.32 6.77e-97 . . . . 7423 1 216 no REF NP_001008160 . "calmodulin 2 (phosphorylase kinase, delta) [Xenopus (Silurana) tropicalis]" . . . . . 100.00 149 99.32 100.00 2.64e-99 . . . . 7423 1 217 no REF NP_001009759 . "calmodulin [Ovis aries]" . . . . . 100.00 149 99.32 100.00 2.64e-99 . . . . 7423 1 218 no REF NP_001039714 . "calmodulin [Bos taurus]" . . . . . 100.00 149 99.32 100.00 2.64e-99 . . . . 7423 1 219 no REF NP_001040234 . "calmodulin [Bombyx mori]" . . . . . 100.00 149 97.30 99.32 3.48e-97 . . . . 7423 1 220 no REF NP_001080864 . "calmodulin [Xenopus laevis]" . . . . . 100.00 149 99.32 100.00 2.64e-99 . . . . 7423 1 221 no SP O16305 . "RecName: Full=Calmodulin; Short=CaM [Caenorhabditis elegans]" . . . . . 100.00 149 97.30 98.65 7.98e-97 . . . . 7423 1 222 no SP P02594 . "RecName: Full=Calmodulin; Short=CaM [Electrophorus electricus]" . . . . . 100.00 149 98.65 100.00 8.96e-99 . . . . 7423 1 223 no SP P02595 . "RecName: Full=Calmodulin; Short=CaM [Patinopecten sp.]" . . . . . 100.00 149 97.30 99.32 9.40e-97 . . . . 7423 1 224 no SP P11121 . "RecName: Full=Calmodulin; Short=CaM [Pyuridae gen. sp.]" . . . . . 100.00 149 97.97 99.32 1.05e-97 . . . . 7423 1 225 no SP P21251 . "RecName: Full=Calmodulin; Short=CaM [Apostichopus japonicus]" . . . . . 100.00 149 97.97 99.32 6.40e-98 . . . . 7423 1 226 no TPG DAA13808 . "TPA: calmodulin 2-like [Bos taurus]" . . . . . 100.00 216 97.97 98.65 1.23e-97 . . . . 7423 1 227 no TPG DAA18029 . "TPA: calmodulin [Bos taurus]" . . . . . 100.00 149 97.97 99.32 4.71e-98 . . . . 7423 1 228 no TPG DAA19590 . "TPA: calmodulin 3 [Bos taurus]" . . . . . 100.00 149 99.32 100.00 2.64e-99 . . . . 7423 1 229 no TPG DAA24777 . "TPA: calmodulin 2-like [Bos taurus]" . . . . . 100.00 149 99.32 100.00 2.64e-99 . . . . 7423 1 230 no TPG DAA24988 . "TPA: calmodulin 2-like isoform 1 [Bos taurus]" . . . . . 100.00 149 99.32 100.00 2.64e-99 . . . . 7423 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 . 7423 1 2 . ASP . 7423 1 3 . GLN . 7423 1 4 . LEU . 7423 1 5 . THR . 7423 1 6 . GLU . 7423 1 7 . GLU . 7423 1 8 . GLN . 7423 1 9 . ILE . 7423 1 10 . ALA . 7423 1 11 . GLU . 7423 1 12 . PHE . 7423 1 13 . LYS . 7423 1 14 . GLU . 7423 1 15 . ALA . 7423 1 16 . PHE . 7423 1 17 . SER . 7423 1 18 . LEU . 7423 1 19 . PHE . 7423 1 20 . ASP . 7423 1 21 . LYS . 7423 1 22 . ASP . 7423 1 23 . GLY . 7423 1 24 . ASP . 7423 1 25 . GLY . 7423 1 26 . THR . 7423 1 27 . ILE . 7423 1 28 . THR . 7423 1 29 . THR . 7423 1 30 . LYS . 7423 1 31 . GLU . 7423 1 32 . LEU . 7423 1 33 . GLY . 7423 1 34 . THR . 7423 1 35 . VAL . 7423 1 36 . MET . 7423 1 37 . ARG . 7423 1 38 . SER . 7423 1 39 . LEU . 7423 1 40 . GLY . 7423 1 41 . GLN . 7423 1 42 . ASN . 7423 1 43 . PRO . 7423 1 44 . THR . 7423 1 45 . GLU . 7423 1 46 . ALA . 7423 1 47 . GLU . 7423 1 48 . LEU . 7423 1 49 . GLN . 7423 1 50 . ASP . 7423 1 51 . MET . 7423 1 52 . ILE . 7423 1 53 . ASN . 7423 1 54 . GLU . 7423 1 55 . VAL . 7423 1 56 . ASP . 7423 1 57 . ALA . 7423 1 58 . ASP . 7423 1 59 . GLY . 7423 1 60 . ASP . 7423 1 61 . GLY . 7423 1 62 . THR . 7423 1 63 . ILE . 7423 1 64 . ASP . 7423 1 65 . PHE . 7423 1 66 . PRO . 7423 1 67 . GLU . 7423 1 68 . PHE . 7423 1 69 . LEU . 7423 1 70 . THR . 7423 1 71 . MET . 7423 1 72 . MET . 7423 1 73 . ALA . 7423 1 74 . ARG . 7423 1 75 . LYS . 7423 1 76 . MET . 7423 1 77 . LYS . 7423 1 78 . ASP . 7423 1 79 . THR . 7423 1 80 . ASP . 7423 1 81 . SER . 7423 1 82 . GLU . 7423 1 83 . GLU . 7423 1 84 . GLU . 7423 1 85 . ILE . 7423 1 86 . ARG . 7423 1 87 . GLU . 7423 1 88 . ALA . 7423 1 89 . PHE . 7423 1 90 . ARG . 7423 1 91 . VAL . 7423 1 92 . PHE . 7423 1 93 . ASP . 7423 1 94 . LYS . 7423 1 95 . ASP . 7423 1 96 . GLY . 7423 1 97 . ASN . 7423 1 98 . GLY . 7423 1 99 . TYR . 7423 1 100 . ILE . 7423 1 101 . SER . 7423 1 102 . ALA . 7423 1 103 . ALA . 7423 1 104 . GLU . 7423 1 105 . LEU . 7423 1 106 . ARG . 7423 1 107 . HIS . 7423 1 108 . VAL . 7423 1 109 . MET . 7423 1 110 . THR . 7423 1 111 . ASN . 7423 1 112 . LEU . 7423 1 113 . GLY . 7423 1 114 . GLU . 7423 1 115 . LYS . 7423 1 116 . LEU . 7423 1 117 . THR . 7423 1 118 . ASP . 7423 1 119 . GLU . 7423 1 120 . GLU . 7423 1 121 . VAL . 7423 1 122 . ASP . 7423 1 123 . GLU . 7423 1 124 . MET . 7423 1 125 . ILE . 7423 1 126 . ARG . 7423 1 127 . GLU . 7423 1 128 . ALA . 7423 1 129 . ASP . 7423 1 130 . ILE . 7423 1 131 . ASP . 7423 1 132 . GLY . 7423 1 133 . ASP . 7423 1 134 . GLY . 7423 1 135 . GLN . 7423 1 136 . VAL . 7423 1 137 . ASN . 7423 1 138 . TYR . 7423 1 139 . GLU . 7423 1 140 . GLU . 7423 1 141 . PHE . 7423 1 142 . VAL . 7423 1 143 . GLN . 7423 1 144 . MET . 7423 1 145 . MET . 7423 1 146 . THR . 7423 1 147 . ALA . 7423 1 148 . LYS . 7423 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 7423 1 . ASP 2 2 7423 1 . GLN 3 3 7423 1 . LEU 4 4 7423 1 . THR 5 5 7423 1 . GLU 6 6 7423 1 . GLU 7 7 7423 1 . GLN 8 8 7423 1 . ILE 9 9 7423 1 . ALA 10 10 7423 1 . GLU 11 11 7423 1 . PHE 12 12 7423 1 . LYS 13 13 7423 1 . GLU 14 14 7423 1 . ALA 15 15 7423 1 . PHE 16 16 7423 1 . SER 17 17 7423 1 . LEU 18 18 7423 1 . PHE 19 19 7423 1 . ASP 20 20 7423 1 . LYS 21 21 7423 1 . ASP 22 22 7423 1 . GLY 23 23 7423 1 . ASP 24 24 7423 1 . GLY 25 25 7423 1 . THR 26 26 7423 1 . ILE 27 27 7423 1 . THR 28 28 7423 1 . THR 29 29 7423 1 . LYS 30 30 7423 1 . GLU 31 31 7423 1 . LEU 32 32 7423 1 . GLY 33 33 7423 1 . THR 34 34 7423 1 . VAL 35 35 7423 1 . MET 36 36 7423 1 . ARG 37 37 7423 1 . SER 38 38 7423 1 . LEU 39 39 7423 1 . GLY 40 40 7423 1 . GLN 41 41 7423 1 . ASN 42 42 7423 1 . PRO 43 43 7423 1 . THR 44 44 7423 1 . GLU 45 45 7423 1 . ALA 46 46 7423 1 . GLU 47 47 7423 1 . LEU 48 48 7423 1 . GLN 49 49 7423 1 . ASP 50 50 7423 1 . MET 51 51 7423 1 . ILE 52 52 7423 1 . ASN 53 53 7423 1 . GLU 54 54 7423 1 . VAL 55 55 7423 1 . ASP 56 56 7423 1 . ALA 57 57 7423 1 . ASP 58 58 7423 1 . GLY 59 59 7423 1 . ASP 60 60 7423 1 . GLY 61 61 7423 1 . THR 62 62 7423 1 . ILE 63 63 7423 1 . ASP 64 64 7423 1 . PHE 65 65 7423 1 . PRO 66 66 7423 1 . GLU 67 67 7423 1 . PHE 68 68 7423 1 . LEU 69 69 7423 1 . THR 70 70 7423 1 . MET 71 71 7423 1 . MET 72 72 7423 1 . ALA 73 73 7423 1 . ARG 74 74 7423 1 . LYS 75 75 7423 1 . MET 76 76 7423 1 . LYS 77 77 7423 1 . ASP 78 78 7423 1 . THR 79 79 7423 1 . ASP 80 80 7423 1 . SER 81 81 7423 1 . GLU 82 82 7423 1 . GLU 83 83 7423 1 . GLU 84 84 7423 1 . ILE 85 85 7423 1 . ARG 86 86 7423 1 . GLU 87 87 7423 1 . ALA 88 88 7423 1 . PHE 89 89 7423 1 . ARG 90 90 7423 1 . VAL 91 91 7423 1 . PHE 92 92 7423 1 . ASP 93 93 7423 1 . LYS 94 94 7423 1 . ASP 95 95 7423 1 . GLY 96 96 7423 1 . ASN 97 97 7423 1 . GLY 98 98 7423 1 . TYR 99 99 7423 1 . ILE 100 100 7423 1 . SER 101 101 7423 1 . ALA 102 102 7423 1 . ALA 103 103 7423 1 . GLU 104 104 7423 1 . LEU 105 105 7423 1 . ARG 106 106 7423 1 . HIS 107 107 7423 1 . VAL 108 108 7423 1 . MET 109 109 7423 1 . THR 110 110 7423 1 . ASN 111 111 7423 1 . LEU 112 112 7423 1 . GLY 113 113 7423 1 . GLU 114 114 7423 1 . LYS 115 115 7423 1 . LEU 116 116 7423 1 . THR 117 117 7423 1 . ASP 118 118 7423 1 . GLU 119 119 7423 1 . GLU 120 120 7423 1 . VAL 121 121 7423 1 . ASP 122 122 7423 1 . GLU 123 123 7423 1 . MET 124 124 7423 1 . ILE 125 125 7423 1 . ARG 126 126 7423 1 . GLU 127 127 7423 1 . ALA 128 128 7423 1 . ASP 129 129 7423 1 . ILE 130 130 7423 1 . ASP 131 131 7423 1 . GLY 132 132 7423 1 . ASP 133 133 7423 1 . GLY 134 134 7423 1 . GLN 135 135 7423 1 . VAL 136 136 7423 1 . ASN 137 137 7423 1 . TYR 138 138 7423 1 . GLU 139 139 7423 1 . GLU 140 140 7423 1 . PHE 141 141 7423 1 . VAL 142 142 7423 1 . GLN 143 143 7423 1 . MET 144 144 7423 1 . MET 145 145 7423 1 . THR 146 146 7423 1 . ALA 147 147 7423 1 . LYS 148 148 7423 1 stop_ save_ save_CA _Entity.Sf_category entity _Entity.Sf_framecode CA _Entity.Entry_ID 7423 _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 . 7423 2 stop_ save_ save_YB _Entity.Sf_category entity _Entity.Sf_framecode YB _Entity.Entry_ID 7423 _Entity.ID 3 _Entity.BMRB_code . _Entity.Name YB _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 YB _Entity.Nonpolymer_comp_label $chem_comp_YB _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 . YB . 7423 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 7423 _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 . . . . . . . . . . . . . . . . . . . . . 7423 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 7423 _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 . . . . . . 7423 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 7423 _Chem_comp.ID CA _Chem_comp.Provenance . _Chem_comp.Name 'CALCIUM ION' _Chem_comp.Type non-polymer _Chem_comp.BMRB_code . _Chem_comp.PDB_code CA _Chem_comp.Ambiguous_flag . _Chem_comp.Initial_date . _Chem_comp.Modified_date . _Chem_comp.Release_status . _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code . _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 CA _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 . _Chem_comp.Ideal_coordinates_details . _Chem_comp.Ideal_coordinates_missing_flag . _Chem_comp.Model_coordinates_db_code . _Chem_comp.Processing_site . _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 Fri Feb 15 18:14:40 2008 ; _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 [Ca++] SMILES CACTVS 3.341 7423 CA [Ca++] SMILES_CANONICAL CACTVS 3.341 7423 CA [Ca+2] SMILES ACDLabs 10.04 7423 CA [Ca+2] SMILES 'OpenEye OEToolkits' 1.5.0 7423 CA [Ca+2] SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 7423 CA InChI=1/Ca/q+2 InChI InChI 1.01 7423 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 7423 CA 'calcium(+2) cation' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 7423 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 . . . . . . . . . . . . . . . 7423 CA stop_ save_ save_chem_comp_YB _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_YB _Chem_comp.Entry_ID 7423 _Chem_comp.ID YB _Chem_comp.Provenance . _Chem_comp.Name 'YTTERBIUM (III) ION' _Chem_comp.Type non-polymer _Chem_comp.BMRB_code . _Chem_comp.PDB_code YB _Chem_comp.Ambiguous_flag . _Chem_comp.Initial_date . _Chem_comp.Modified_date . _Chem_comp.Release_status . _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code . _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 YB _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 Yb _Chem_comp.Formula_weight 173.040 _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 . _Chem_comp.Ideal_coordinates_details . _Chem_comp.Ideal_coordinates_missing_flag . _Chem_comp.Model_coordinates_db_code . _Chem_comp.Processing_site . _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 Fri Feb 15 21:20:10 2008 ; _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 InChI=1/Yb/q+3 InChI InChI 1.01 7423 YB [Yb+3] SMILES ACDLabs 10.04 7423 YB [Yb+3] SMILES CACTVS 3.341 7423 YB [Yb+3] SMILES 'OpenEye OEToolkits' 1.5.0 7423 YB [Yb+3] SMILES_CANONICAL CACTVS 3.341 7423 YB [Yb+3] SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 7423 YB 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 ytterbium(3+) 'SYSTEMATIC NAME' ACDLabs 10.04 7423 YB 'ytterbium(+3) cation' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 7423 YB 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 YB . YB . . YB . N . 3 . . . . no no . . . . . . . . . . . . . . . 7423 YB stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 7423 _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 $calmodulin . . 0.4 . . mM . . . . 7423 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 7423 _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 $calmodulin . . 0.4 . . mM . . . . 7423 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 7423 _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 7423 1 pH 7.5 . pH 7423 1 pressure 1 . atm 7423 1 temperature 298 . K 7423 1 stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 7423 _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' . . 7423 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 7423 1 processing 7423 1 stop_ save_ save_CARA _Software.Sf_category software _Software.Sf_framecode CARA _Software.Entry_ID 7423 _Software.ID 2 _Software.Name CARA _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Keller and Wuthrich' . . 7423 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 7423 2 stop_ save_ save_X-PLOR_NIH _Software.Sf_category software _Software.Sf_framecode X-PLOR_NIH _Software.Entry_ID 7423 _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' . . 7423 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 7423 3 'structure solution' 7423 3 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 7423 _Software.ID 4 _Software.Name SPARKY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 7423 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 7423 4 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 7423 _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 7423 _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 7423 _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 . . . 7423 1 2 spectrometer_2 Bruker Avance . 700 . . . 7423 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 7423 _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 . . . . . . . . . . . . . . . . 7423 1 2 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 7423 1 3 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 7423 1 4 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 7423 1 5 IPAP no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 7423 1 6 'relaxation measurement' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 7423 1 7 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 7423 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 7423 _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 . . . . . . . . . 7423 1 H 1 DSS 'methyl protons' . . . . ppm 0 external direct 1.0 . . . . . . . . . 7423 1 N 15 DSS 'methyl protons' . . . . ppm 0 external indirect 0.101329118 . . . . . . . . . 7423 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_3CaYbCaM _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode 3CaYbCaM _Assigned_chem_shift_list.Entry_ID 7423 _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' . . . 7423 1 2 '3D HNCO' . . . 7423 1 3 '3D HNCA' . . . 7423 1 4 '3D CBCA(CO)NH' . . . 7423 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 . . 7423 1 2 $CARA . . 7423 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 1 1 ALA H H 1 8.506 0.01 . 1 . . . . 1 A HN . 7423 1 2 . 1 1 1 1 ALA C C 13 176.627 0.2 . 1 . . . . 1 A C . 7423 1 3 . 1 1 1 1 ALA CA C 13 52.167 0.2 . 1 . . . . 1 A CA . 7423 1 4 . 1 1 1 1 ALA CB C 13 17.254 0.2 . 1 . . . . 1 A CB . 7423 1 5 . 1 1 1 1 ALA N N 15 123.855 0.2 . 1 . . . . 1 A N . 7423 1 6 . 1 1 2 2 ASP H H 1 7.662 0.01 . 1 . . . . 2 D HN . 7423 1 7 . 1 1 2 2 ASP C C 13 175.127 0.2 . 1 . . . . 2 D C . 7423 1 8 . 1 1 2 2 ASP CA C 13 53.929 0.2 . 1 . . . . 2 D CA . 7423 1 9 . 1 1 2 2 ASP CB C 13 39.529 0.2 . 1 . . . . 2 D CB . 7423 1 10 . 1 1 2 2 ASP N N 15 116.632 0.2 . 1 . . . . 2 D N . 7423 1 11 . 1 1 3 3 GLN H H 1 7.615 0.01 . 1 . . . . 3 Q HN . 7423 1 12 . 1 1 3 3 GLN C C 13 174.727 0.2 . 1 . . . . 3 Q C . 7423 1 13 . 1 1 3 3 GLN CA C 13 54.288 0.2 . 1 . . . . 3 Q CA . 7423 1 14 . 1 1 3 3 GLN CB C 13 28.362 0.2 . 1 . . . . 3 Q CB . 7423 1 15 . 1 1 3 3 GLN N N 15 117.783 0.2 . 1 . . . . 3 Q N . 7423 1 16 . 1 1 4 4 LEU H H 1 7.439 0.01 . 1 . . . . 4 L HN . 7423 1 17 . 1 1 4 4 LEU C C 13 176.527 0.2 . 1 . . . . 4 L C . 7423 1 18 . 1 1 4 4 LEU CA C 13 53.132 0.2 . 1 . . . . 4 L CA . 7423 1 19 . 1 1 4 4 LEU CB C 13 42.26 0.2 . 1 . . . . 4 L CB . 7423 1 20 . 1 1 4 4 LEU N N 15 121.467 0.2 . 1 . . . . 4 L N . 7423 1 21 . 1 1 5 5 THR H H 1 8.438 0.01 . 1 . . . . 5 T HN . 7423 1 22 . 1 1 5 5 THR C C 13 174.427 0.2 . 1 . . . . 5 T C . 7423 1 23 . 1 1 5 5 THR CA C 13 59.34 0.2 . 1 . . . . 5 T CA . 7423 1 24 . 1 1 5 5 THR CB C 13 70.237 0.2 . 1 . . . . 5 T CB . 7423 1 25 . 1 1 5 5 THR N N 15 112.656 0.2 . 1 . . . . 5 T N . 7423 1 26 . 1 1 6 6 GLU H H 1 8.741 0.01 . 1 . . . . 6 E HN . 7423 1 27 . 1 1 6 6 GLU C C 13 178.527 0.2 . 1 . . . . 6 E C . 7423 1 28 . 1 1 6 6 GLU CA C 13 59.076 0.2 . 1 . . . . 6 E CA . 7423 1 29 . 1 1 6 6 GLU CB C 13 28.011 0.2 . 1 . . . . 6 E CB . 7423 1 30 . 1 1 6 6 GLU N N 15 120.238 0.2 . 1 . . . . 6 E N . 7423 1 31 . 1 1 7 7 GLU H H 1 8.417 0.01 . 1 . . . . 7 E HN . 7423 1 32 . 1 1 7 7 GLU C C 13 178.227 0.2 . 1 . . . . 7 E C . 7423 1 33 . 1 1 7 7 GLU CA C 13 58.968 0.2 . 1 . . . . 7 E CA . 7423 1 34 . 1 1 7 7 GLU CB C 13 27.938 0.2 . 1 . . . . 7 E CB . 7423 1 35 . 1 1 7 7 GLU N N 15 119.285 0.2 . 1 . . . . 7 E N . 7423 1 36 . 1 1 8 8 GLN H H 1 7.43 0.01 . 1 . . . . 8 Q HN . 7423 1 37 . 1 1 8 8 GLN C C 13 177.127 0.2 . 1 . . . . 8 Q C . 7423 1 38 . 1 1 8 8 GLN CA C 13 57.51 0.2 . 1 . . . . 8 Q CA . 7423 1 39 . 1 1 8 8 GLN CB C 13 27.937 0.2 . 1 . . . . 8 Q CB . 7423 1 40 . 1 1 8 8 GLN N N 15 120.216 0.2 . 1 . . . . 8 Q N . 7423 1 41 . 1 1 9 9 ILE H H 1 7.956 0.01 . 1 . . . . 9 I HN . 7423 1 42 . 1 1 9 9 ILE C C 13 176.527 0.2 . 1 . . . . 9 I C . 7423 1 43 . 1 1 9 9 ILE CA C 13 65.121 0.2 . 1 . . . . 9 I CA . 7423 1 44 . 1 1 9 9 ILE CB C 13 36.849 0.2 . 1 . . . . 9 I CB . 7423 1 45 . 1 1 9 9 ILE N N 15 118.835 0.2 . 1 . . . . 9 I N . 7423 1 46 . 1 1 10 10 ALA H H 1 7.706 0.01 . 1 . . . . 10 A HN . 7423 1 47 . 1 1 10 10 ALA C C 13 180.027 0.2 . 1 . . . . 10 A C . 7423 1 48 . 1 1 10 10 ALA CA C 13 54.36 0.2 . 1 . . . . 10 A CA . 7423 1 49 . 1 1 10 10 ALA CB C 13 16.486 0.2 . 1 . . . . 10 A CB . 7423 1 50 . 1 1 10 10 ALA N N 15 120.814 0.2 . 1 . . . . 10 A N . 7423 1 51 . 1 1 11 11 GLU H H 1 7.461 0.01 . 1 . . . . 11 E HN . 7423 1 52 . 1 1 11 11 GLU C C 13 178.927 0.2 . 1 . . . . 11 E C . 7423 1 53 . 1 1 11 11 GLU CA C 13 58.504 0.2 . 1 . . . . 11 E CA . 7423 1 54 . 1 1 11 11 GLU CB C 13 28.182 0.2 . 1 . . . . 11 E CB . 7423 1 55 . 1 1 11 11 GLU N N 15 119.576 0.2 . 1 . . . . 11 E N . 7423 1 56 . 1 1 12 12 PHE H H 1 8.203 0.01 . 1 . . . . 12 F HN . 7423 1 57 . 1 1 12 12 PHE C C 13 178.027 0.2 . 1 . . . . 12 F C . 7423 1 58 . 1 1 12 12 PHE CA C 13 57.585 0.2 . 1 . . . . 12 F CA . 7423 1 59 . 1 1 12 12 PHE CB C 13 36.017 0.2 . 1 . . . . 12 F CB . 7423 1 60 . 1 1 12 12 PHE N N 15 118.65 0.2 . 1 . . . . 12 F N . 7423 1 61 . 1 1 13 13 LYS H H 1 8.876 0.01 . 1 . . . . 13 K HN . 7423 1 62 . 1 1 13 13 LYS C C 13 178.027 0.2 . 1 . . . . 13 K C . 7423 1 63 . 1 1 13 13 LYS CA C 13 58.839 0.2 . 1 . . . . 13 K CA . 7423 1 64 . 1 1 13 13 LYS CB C 13 30.432 0.2 . 1 . . . . 13 K CB . 7423 1 65 . 1 1 13 13 LYS N N 15 122.6 0.2 . 1 . . . . 13 K N . 7423 1 66 . 1 1 14 14 GLU H H 1 7.638 0.01 . 1 . . . . 14 E HN . 7423 1 67 . 1 1 14 14 GLU C C 13 178.927 0.2 . 1 . . . . 14 E C . 7423 1 68 . 1 1 14 14 GLU CA C 13 58.849 0.2 . 1 . . . . 14 E CA . 7423 1 69 . 1 1 14 14 GLU CB C 13 28.308 0.2 . 1 . . . . 14 E CB . 7423 1 70 . 1 1 14 14 GLU N N 15 120.362 0.2 . 1 . . . . 14 E N . 7423 1 71 . 1 1 15 15 ALA H H 1 7.979 0.01 . 1 . . . . 15 A HN . 7423 1 72 . 1 1 15 15 ALA C C 13 177.527 0.2 . 1 . . . . 15 A C . 7423 1 73 . 1 1 15 15 ALA CA C 13 54.745 0.2 . 1 . . . . 15 A CA . 7423 1 74 . 1 1 15 15 ALA CB C 13 17.117 0.2 . 1 . . . . 15 A CB . 7423 1 75 . 1 1 15 15 ALA N N 15 122.047 0.2 . 1 . . . . 15 A N . 7423 1 76 . 1 1 16 16 PHE H H 1 8.737 0.01 . 1 . . . . 16 F HN . 7423 1 77 . 1 1 16 16 PHE C C 13 176.827 0.2 . 1 . . . . 16 F C . 7423 1 78 . 1 1 16 16 PHE CA C 13 61.82 0.2 . 1 . . . . 16 F CA . 7423 1 79 . 1 1 16 16 PHE CB C 13 38.685 0.2 . 1 . . . . 16 F CB . 7423 1 80 . 1 1 16 16 PHE N N 15 119.141 0.2 . 1 . . . . 16 F N . 7423 1 81 . 1 1 17 17 SER H H 1 8.114 0.01 . 1 . . . . 17 S HN . 7423 1 82 . 1 1 17 17 SER C C 13 174.127 0.2 . 1 . . . . 17 S C . 7423 1 83 . 1 1 17 17 SER CA C 13 60.89 0.2 . 1 . . . . 17 S CA . 7423 1 84 . 1 1 17 17 SER CB C 13 62.353 0.2 . 1 . . . . 17 S CB . 7423 1 85 . 1 1 17 17 SER N N 15 112.833 0.2 . 1 . . . . 17 S N . 7423 1 86 . 1 1 18 18 LEU H H 1 7.537 0.01 . 1 . . . . 18 L HN . 7423 1 87 . 1 1 18 18 LEU C C 13 177.527 0.2 . 1 . . . . 18 L C . 7423 1 88 . 1 1 18 18 LEU CA C 13 56.917 0.2 . 1 . . . . 18 L CA . 7423 1 89 . 1 1 18 18 LEU CB C 13 40.634 0.2 . 1 . . . . 18 L CB . 7423 1 90 . 1 1 18 18 LEU N N 15 121.421 0.2 . 1 . . . . 18 L N . 7423 1 91 . 1 1 19 19 PHE H H 1 7.555 0.01 . 1 . . . . 19 F HN . 7423 1 92 . 1 1 19 19 PHE C C 13 177.627 0.2 . 1 . . . . 19 F C . 7423 1 93 . 1 1 19 19 PHE CA C 13 60.142 0.2 . 1 . . . . 19 F CA . 7423 1 94 . 1 1 19 19 PHE CB C 13 41.787 0.2 . 1 . . . . 19 F CB . 7423 1 95 . 1 1 19 19 PHE N N 15 113.503 0.2 . 1 . . . . 19 F N . 7423 1 96 . 1 1 20 20 ASP H H 1 8.469 0.01 . 1 . . . . 20 D HN . 7423 1 97 . 1 1 20 20 ASP C C 13 176.927 0.2 . 1 . . . . 20 D C . 7423 1 98 . 1 1 20 20 ASP CA C 13 52.221 0.2 . 1 . . . . 20 D CA . 7423 1 99 . 1 1 20 20 ASP CB C 13 38.085 0.2 . 1 . . . . 20 D CB . 7423 1 100 . 1 1 20 20 ASP N N 15 117.943 0.2 . 1 . . . . 20 D N . 7423 1 101 . 1 1 21 21 LYS H H 1 8.375 0.01 . 1 . . . . 21 K HN . 7423 1 102 . 1 1 21 21 LYS C C 13 177.527 0.2 . 1 . . . . 21 K C . 7423 1 103 . 1 1 21 21 LYS CA C 13 58.162 0.2 . 1 . . . . 21 K CA . 7423 1 104 . 1 1 21 21 LYS CB C 13 32.142 0.2 . 1 . . . . 21 K CB . 7423 1 105 . 1 1 21 21 LYS N N 15 124.99 0.2 . 1 . . . . 21 K N . 7423 1 106 . 1 1 22 22 ASP H H 1 8 0.01 . 1 . . . . 22 D HN . 7423 1 107 . 1 1 22 22 ASP C C 13 176.727 0.2 . 1 . . . . 22 D C . 7423 1 108 . 1 1 22 22 ASP CA C 13 51.897 0.2 . 1 . . . . 22 D CA . 7423 1 109 . 1 1 22 22 ASP CB C 13 38.512 0.2 . 1 . . . . 22 D CB . 7423 1 110 . 1 1 22 22 ASP N N 15 113.734 0.2 . 1 . . . . 22 D N . 7423 1 111 . 1 1 23 23 GLY H H 1 7.52 0.01 . 1 . . . . 23 G HN . 7423 1 112 . 1 1 23 23 GLY C C 13 173.827 0.2 . 1 . . . . 23 G C . 7423 1 113 . 1 1 23 23 GLY CA C 13 45.907 0.2 . 1 . . . . 23 G CA . 7423 1 114 . 1 1 23 23 GLY N N 15 108.91 0.2 . 1 . . . . 23 G N . 7423 1 115 . 1 1 24 24 ASP H H 1 7.846 0.01 . 1 . . . . 24 D HN . 7423 1 116 . 1 1 24 24 ASP C C 13 175.327 0.2 . 1 . . . . 24 D C . 7423 1 117 . 1 1 24 24 ASP CA C 13 52.049 0.2 . 1 . . . . 24 D CA . 7423 1 118 . 1 1 24 24 ASP CB C 13 38.693 0.2 . 1 . . . . 24 D CB . 7423 1 119 . 1 1 24 24 ASP N N 15 120.035 0.2 . 1 . . . . 24 D N . 7423 1 120 . 1 1 25 25 GLY H H 1 9.583 0.01 . 1 . . . . 25 G HN . 7423 1 121 . 1 1 25 25 GLY C C 13 170.727 0.2 . 1 . . . . 25 G C . 7423 1 122 . 1 1 25 25 GLY CA C 13 42.521 0.2 . 1 . . . . 25 G CA . 7423 1 123 . 1 1 25 25 GLY N N 15 111.753 0.2 . 1 . . . . 25 G N . 7423 1 124 . 1 1 26 26 THR H H 1 6.821 0.01 . 1 . . . . 26 T HN . 7423 1 125 . 1 1 26 26 THR CA C 13 57.03 0.2 . 1 . . . . 26 T CA . 7423 1 126 . 1 1 26 26 THR N N 15 108.281 0.2 . 1 . . . . 26 T N . 7423 1 127 . 1 1 28 28 THR H H 1 10.766 0.01 . 1 . . . . 28 T HN . 7423 1 128 . 1 1 28 28 THR C C 13 178.927 0.2 . 1 . . . . 28 T C . 7423 1 129 . 1 1 28 28 THR CA C 13 61.925 0.2 . 1 . . . . 28 T CA . 7423 1 130 . 1 1 28 28 THR CB C 13 73.571 0.2 . 1 . . . . 28 T CB . 7423 1 131 . 1 1 28 28 THR N N 15 120.062 0.2 . 1 . . . . 28 T N . 7423 1 132 . 1 1 29 29 THR H H 1 11.727 0.01 . 1 . . . . 29 T HN . 7423 1 133 . 1 1 29 29 THR C C 13 178.027 0.2 . 1 . . . . 29 T C . 7423 1 134 . 1 1 29 29 THR CA C 13 67.989 0.2 . 1 . . . . 29 T CA . 7423 1 135 . 1 1 29 29 THR CB C 13 69.045 0.2 . 1 . . . . 29 T CB . 7423 1 136 . 1 1 29 29 THR N N 15 115.763 0.2 . 1 . . . . 29 T N . 7423 1 137 . 1 1 30 30 LYS H H 1 8.919 0.01 . 1 . . . . 30 K HN . 7423 1 138 . 1 1 30 30 LYS C C 13 180.227 0.2 . 1 . . . . 30 K C . 7423 1 139 . 1 1 30 30 LYS CA C 13 59.453 0.2 . 1 . . . . 30 K CA . 7423 1 140 . 1 1 30 30 LYS CB C 13 32.271 0.2 . 1 . . . . 30 K CB . 7423 1 141 . 1 1 30 30 LYS N N 15 122.338 0.2 . 1 . . . . 30 K N . 7423 1 142 . 1 1 31 31 GLU H H 1 9.147 0.01 . 1 . . . . 31 E HN . 7423 1 143 . 1 1 31 31 GLU C C 13 180.327 0.2 . 1 . . . . 31 E C . 7423 1 144 . 1 1 31 31 GLU CA C 13 60.029 0.2 . 1 . . . . 31 E CA . 7423 1 145 . 1 1 31 31 GLU CB C 13 30.124 0.2 . 1 . . . . 31 E CB . 7423 1 146 . 1 1 31 31 GLU N N 15 123.281 0.2 . 1 . . . . 31 E N . 7423 1 147 . 1 1 32 32 LEU H H 1 10.708 0.01 . 1 . . . . 32 L HN . 7423 1 148 . 1 1 32 32 LEU C C 13 179.627 0.2 . 1 . . . . 32 L C . 7423 1 149 . 1 1 32 32 LEU CA C 13 59.597 0.2 . 1 . . . . 32 L CA . 7423 1 150 . 1 1 32 32 LEU CB C 13 44.527 0.2 . 1 . . . . 32 L CB . 7423 1 151 . 1 1 32 32 LEU N N 15 122.169 0.2 . 1 . . . . 32 L N . 7423 1 152 . 1 1 33 33 GLY H H 1 9.945 0.01 . 1 . . . . 33 G HN . 7423 1 153 . 1 1 33 33 GLY C C 13 175.027 0.2 . 1 . . . . 33 G C . 7423 1 154 . 1 1 33 33 GLY CA C 13 48.547 0.2 . 1 . . . . 33 G CA . 7423 1 155 . 1 1 33 33 GLY N N 15 106.047 0.2 . 1 . . . . 33 G N . 7423 1 156 . 1 1 34 34 THR H H 1 8.923 0.01 . 1 . . . . 34 T HN . 7423 1 157 . 1 1 34 34 THR C C 13 177.227 0.2 . 1 . . . . 34 T C . 7423 1 158 . 1 1 34 34 THR CA C 13 66.977 0.2 . 1 . . . . 34 T CA . 7423 1 159 . 1 1 34 34 THR CB C 13 68.673 0.2 . 1 . . . . 34 T CB . 7423 1 160 . 1 1 34 34 THR N N 15 118.512 0.2 . 1 . . . . 34 T N . 7423 1 161 . 1 1 35 35 VAL H H 1 8.313 0.01 . 1 . . . . 35 V HN . 7423 1 162 . 1 1 35 35 VAL C C 13 178.727 0.2 . 1 . . . . 35 V C . 7423 1 163 . 1 1 35 35 VAL CA C 13 66.443 0.2 . 1 . . . . 35 V CA . 7423 1 164 . 1 1 35 35 VAL CB C 13 31.689 0.2 . 1 . . . . 35 V CB . 7423 1 165 . 1 1 35 35 VAL N N 15 122.016 0.2 . 1 . . . . 35 V N . 7423 1 166 . 1 1 36 36 MET H H 1 9.283 0.01 . 1 . . . . 36 M HN . 7423 1 167 . 1 1 36 36 MET C C 13 178.927 0.2 . 1 . . . . 36 M C . 7423 1 168 . 1 1 36 36 MET CA C 13 59.333 0.2 . 1 . . . . 36 M CA . 7423 1 169 . 1 1 36 36 MET CB C 13 31.345 0.2 . 1 . . . . 36 M CB . 7423 1 170 . 1 1 36 36 MET N N 15 118.794 0.2 . 1 . . . . 36 M N . 7423 1 171 . 1 1 37 37 ARG H H 1 9.079 0.01 . 1 . . . . 37 R HN . 7423 1 172 . 1 1 37 37 ARG C C 13 180.927 0.2 . 1 . . . . 37 R C . 7423 1 173 . 1 1 37 37 ARG CA C 13 58.67 0.2 . 1 . . . . 37 R CA . 7423 1 174 . 1 1 37 37 ARG CB C 13 29.647 0.2 . 1 . . . . 37 R CB . 7423 1 175 . 1 1 37 37 ARG N N 15 118.442 0.2 . 1 . . . . 37 R N . 7423 1 176 . 1 1 38 38 SER H H 1 8.284 0.01 . 1 . . . . 38 S HN . 7423 1 177 . 1 1 38 38 SER C C 13 174.027 0.2 . 1 . . . . 38 S C . 7423 1 178 . 1 1 38 38 SER CA C 13 61.138 0.2 . 1 . . . . 38 S CA . 7423 1 179 . 1 1 38 38 SER CB C 13 62.184 0.2 . 1 . . . . 38 S CB . 7423 1 180 . 1 1 38 38 SER N N 15 119.365 0.2 . 1 . . . . 38 S N . 7423 1 181 . 1 1 39 39 LEU H H 1 7.73 0.01 . 1 . . . . 39 L HN . 7423 1 182 . 1 1 39 39 LEU C C 13 176.227 0.2 . 1 . . . . 39 L C . 7423 1 183 . 1 1 39 39 LEU CA C 13 53.513 0.2 . 1 . . . . 39 L CA . 7423 1 184 . 1 1 39 39 LEU CB C 13 40.196 0.2 . 1 . . . . 39 L CB . 7423 1 185 . 1 1 39 39 LEU N N 15 120.08 0.2 . 1 . . . . 39 L N . 7423 1 186 . 1 1 40 40 GLY H H 1 7.975 0.01 . 1 . . . . 40 G HN . 7423 1 187 . 1 1 40 40 GLY C C 13 173.927 0.2 . 1 . . . . 40 G C . 7423 1 188 . 1 1 40 40 GLY CA C 13 45.137 0.2 . 1 . . . . 40 G CA . 7423 1 189 . 1 1 40 40 GLY N N 15 106.043 0.2 . 1 . . . . 40 G N . 7423 1 190 . 1 1 41 41 GLN H H 1 8.208 0.01 . 1 . . . . 41 Q HN . 7423 1 191 . 1 1 41 41 GLN C C 13 173.827 0.2 . 1 . . . . 41 Q C . 7423 1 192 . 1 1 41 41 GLN CA C 13 53.973 0.2 . 1 . . . . 41 Q CA . 7423 1 193 . 1 1 41 41 GLN CB C 13 29.854 0.2 . 1 . . . . 41 Q CB . 7423 1 194 . 1 1 41 41 GLN N N 15 118.554 0.2 . 1 . . . . 41 Q N . 7423 1 195 . 1 1 42 42 ASN H H 1 9.084 0.01 . 1 . . . . 42 N HN . 7423 1 196 . 1 1 42 42 ASN CA C 13 50.957 0.2 . 1 . . . . 42 N CA . 7423 1 197 . 1 1 42 42 ASN N N 15 116.539 0.2 . 1 . . . . 42 N N . 7423 1 198 . 1 1 43 43 PRO C C 13 177.489 0.2 . 1 . . . . 43 P C . 7423 1 199 . 1 1 44 44 THR H H 1 9.234 0.01 . 1 . . . . 44 T HN . 7423 1 200 . 1 1 44 44 THR C C 13 174.827 0.2 . 1 . . . . 44 T C . 7423 1 201 . 1 1 44 44 THR CA C 13 60.058 0.2 . 1 . . . . 44 T CA . 7423 1 202 . 1 1 44 44 THR CB C 13 70.613 0.2 . 1 . . . . 44 T CB . 7423 1 203 . 1 1 44 44 THR N N 15 113.901 0.2 . 1 . . . . 44 T N . 7423 1 204 . 1 1 45 45 GLU H H 1 9.126 0.01 . 1 . . . . 45 E HN . 7423 1 205 . 1 1 45 45 GLU C C 13 178.827 0.2 . 1 . . . . 45 E C . 7423 1 206 . 1 1 45 45 GLU CA C 13 59.613 0.2 . 1 . . . . 45 E CA . 7423 1 207 . 1 1 45 45 GLU CB C 13 28.319 0.2 . 1 . . . . 45 E CB . 7423 1 208 . 1 1 45 45 GLU N N 15 120.889 0.2 . 1 . . . . 45 E N . 7423 1 209 . 1 1 46 46 ALA H H 1 8.56 0.01 . 1 . . . . 46 A HN . 7423 1 210 . 1 1 46 46 ALA C C 13 179.927 0.2 . 1 . . . . 46 A C . 7423 1 211 . 1 1 46 46 ALA CA C 13 54.602 0.2 . 1 . . . . 46 A CA . 7423 1 212 . 1 1 46 46 ALA CB C 13 17.344 0.2 . 1 . . . . 46 A CB . 7423 1 213 . 1 1 46 46 ALA N N 15 121.386 0.2 . 1 . . . . 46 A N . 7423 1 214 . 1 1 47 47 GLU H H 1 8.124 0.01 . 1 . . . . 47 E HN . 7423 1 215 . 1 1 47 47 GLU CA C 13 58.86 0.2 . 1 . . . . 47 E CA . 7423 1 216 . 1 1 47 47 GLU N N 15 119.286 0.2 . 1 . . . . 47 E N . 7423 1 217 . 1 1 49 49 GLN H H 1 9.008 0.01 . 1 . . . . 49 Q HN . 7423 1 218 . 1 1 49 49 GLN C C 13 178.727 0.2 . 1 . . . . 49 Q C . 7423 1 219 . 1 1 49 49 GLN CA C 13 58.775 0.2 . 1 . . . . 49 Q CA . 7423 1 220 . 1 1 49 49 GLN CB C 13 27.712 0.2 . 1 . . . . 49 Q CB . 7423 1 221 . 1 1 49 49 GLN N N 15 119.754 0.2 . 1 . . . . 49 Q N . 7423 1 222 . 1 1 50 50 ASP H H 1 8.802 0.01 . 1 . . . . 50 D HN . 7423 1 223 . 1 1 50 50 ASP C C 13 179.227 0.2 . 1 . . . . 50 D C . 7423 1 224 . 1 1 50 50 ASP CA C 13 57.5 0.2 . 1 . . . . 50 D CA . 7423 1 225 . 1 1 50 50 ASP CB C 13 39.809 0.2 . 1 . . . . 50 D CB . 7423 1 226 . 1 1 50 50 ASP N N 15 120.84 0.2 . 1 . . . . 50 D N . 7423 1 227 . 1 1 51 51 MET H H 1 9.237 0.01 . 1 . . . . 51 M HN . 7423 1 228 . 1 1 51 51 MET C C 13 181.027 0.2 . 1 . . . . 51 M C . 7423 1 229 . 1 1 51 51 MET CA C 13 60.55 0.2 . 1 . . . . 51 M CA . 7423 1 230 . 1 1 51 51 MET CB C 13 34.763 0.2 . 1 . . . . 51 M CB . 7423 1 231 . 1 1 51 51 MET N N 15 121.025 0.2 . 1 . . . . 51 M N . 7423 1 232 . 1 1 52 52 ILE H H 1 10.753 0.01 . 1 . . . . 52 I HN . 7423 1 233 . 1 1 52 52 ILE C C 13 181.827 0.2 . 1 . . . . 52 I C . 7423 1 234 . 1 1 52 52 ILE CA C 13 68.968 0.2 . 1 . . . . 52 I CA . 7423 1 235 . 1 1 52 52 ILE CB C 13 41.682 0.2 . 1 . . . . 52 I CB . 7423 1 236 . 1 1 52 52 ILE N N 15 121.6 0.2 . 1 . . . . 52 I N . 7423 1 237 . 1 1 53 53 ASN H H 1 10.429 0.01 . 1 . . . . 53 N HN . 7423 1 238 . 1 1 53 53 ASN C C 13 176.427 0.2 . 1 . . . . 53 N C . 7423 1 239 . 1 1 53 53 ASN CA C 13 55.352 0.2 . 1 . . . . 53 N CA . 7423 1 240 . 1 1 53 53 ASN CB C 13 36.649 0.2 . 1 . . . . 53 N CB . 7423 1 241 . 1 1 53 53 ASN N N 15 120.359 0.2 . 1 . . . . 53 N N . 7423 1 242 . 1 1 54 54 GLU H H 1 8.806 0.01 . 1 . . . . 54 E HN . 7423 1 243 . 1 1 54 54 GLU CA C 13 58.218 0.2 . 1 . . . . 54 E CA . 7423 1 244 . 1 1 54 54 GLU N N 15 117.641 0.2 . 1 . . . . 54 E N . 7423 1 245 . 1 1 69 69 LEU H H 1 6.93 0.01 . 1 . . . . 69 L HN . 7423 1 246 . 1 1 69 69 LEU C C 13 176.927 0.2 . 1 . . . . 69 L C . 7423 1 247 . 1 1 69 69 LEU CA C 13 55.955 0.2 . 1 . . . . 69 L CA . 7423 1 248 . 1 1 69 69 LEU CB C 13 39.198 0.2 . 1 . . . . 69 L CB . 7423 1 249 . 1 1 69 69 LEU N N 15 118.481 0.2 . 1 . . . . 69 L N . 7423 1 250 . 1 1 70 70 THR H H 1 5.735 0.01 . 1 . . . . 70 T HN . 7423 1 251 . 1 1 70 70 THR C C 13 174.627 0.2 . 1 . . . . 70 T C . 7423 1 252 . 1 1 70 70 THR CA C 13 64.781 0.2 . 1 . . . . 70 T CA . 7423 1 253 . 1 1 70 70 THR CB C 13 65.801 0.2 . 1 . . . . 70 T CB . 7423 1 254 . 1 1 70 70 THR N N 15 113.985 0.2 . 1 . . . . 70 T N . 7423 1 255 . 1 1 71 71 MET H H 1 6.556 0.01 . 1 . . . . 71 M HN . 7423 1 256 . 1 1 71 71 MET C C 13 176.927 0.2 . 1 . . . . 71 M C . 7423 1 257 . 1 1 71 71 MET CA C 13 57.413 0.2 . 1 . . . . 71 M CA . 7423 1 258 . 1 1 71 71 MET CB C 13 31.367 0.2 . 1 . . . . 71 M CB . 7423 1 259 . 1 1 71 71 MET N N 15 120.331 0.2 . 1 . . . . 71 M N . 7423 1 260 . 1 1 72 72 MET H H 1 8.232 0.01 . 1 . . . . 72 M HN . 7423 1 261 . 1 1 72 72 MET C C 13 178.027 0.2 . 1 . . . . 72 M C . 7423 1 262 . 1 1 72 72 MET CA C 13 55.618 0.2 . 1 . . . . 72 M CA . 7423 1 263 . 1 1 72 72 MET CB C 13 30.867 0.2 . 1 . . . . 72 M CB . 7423 1 264 . 1 1 72 72 MET N N 15 117.128 0.2 . 1 . . . . 72 M N . 7423 1 265 . 1 1 73 73 ALA H H 1 7.794 0.01 . 1 . . . . 73 A HN . 7423 1 266 . 1 1 73 73 ALA C C 13 178.427 0.2 . 1 . . . . 73 A C . 7423 1 267 . 1 1 73 73 ALA CA C 13 53.592 0.2 . 1 . . . . 73 A CA . 7423 1 268 . 1 1 73 73 ALA CB C 13 16.585 0.2 . 1 . . . . 73 A CB . 7423 1 269 . 1 1 73 73 ALA N N 15 120.563 0.2 . 1 . . . . 73 A N . 7423 1 270 . 1 1 74 74 ARG H H 1 7.08 0.01 . 1 . . . . 74 R HN . 7423 1 271 . 1 1 74 74 ARG C C 13 177.627 0.2 . 1 . . . . 74 R C . 7423 1 272 . 1 1 74 74 ARG CA C 13 57.573 0.2 . 1 . . . . 74 R CA . 7423 1 273 . 1 1 74 74 ARG CB C 13 29.449 0.2 . 1 . . . . 74 R CB . 7423 1 274 . 1 1 74 74 ARG N N 15 115.999 0.2 . 1 . . . . 74 R N . 7423 1 275 . 1 1 75 75 LYS H H 1 7.752 0.01 . 1 . . . . 75 K HN . 7423 1 276 . 1 1 75 75 LYS C C 13 176.427 0.2 . 1 . . . . 75 K C . 7423 1 277 . 1 1 75 75 LYS CA C 13 55.405 0.2 . 1 . . . . 75 K CA . 7423 1 278 . 1 1 75 75 LYS CB C 13 31.805 0.2 . 1 . . . . 75 K CB . 7423 1 279 . 1 1 75 75 LYS N N 15 116.416 0.2 . 1 . . . . 75 K N . 7423 1 280 . 1 1 76 76 MET H H 1 7.479 0.01 . 1 . . . . 76 M HN . 7423 1 281 . 1 1 76 76 MET C C 13 175.427 0.2 . 1 . . . . 76 M C . 7423 1 282 . 1 1 76 76 MET CA C 13 55.978 0.2 . 1 . . . . 76 M CA . 7423 1 283 . 1 1 76 76 MET CB C 13 31.519 0.2 . 1 . . . . 76 M CB . 7423 1 284 . 1 1 76 76 MET N N 15 117.636 0.2 . 1 . . . . 76 M N . 7423 1 285 . 1 1 77 77 LYS H H 1 7.52 0.01 . 1 . . . . 77 K HN . 7423 1 286 . 1 1 77 77 LYS CA C 13 56.007 0.2 . 1 . . . . 77 K CA . 7423 1 287 . 1 1 77 77 LYS N N 15 119.881 0.2 . 1 . . . . 77 K N . 7423 1 288 . 1 1 79 79 THR H H 1 7.723 0.01 . 1 . . . . 79 T HN . 7423 1 289 . 1 1 79 79 THR C C 13 172.927 0.2 . 1 . . . . 79 T C . 7423 1 290 . 1 1 79 79 THR CA C 13 61.169 0.2 . 1 . . . . 79 T CA . 7423 1 291 . 1 1 79 79 THR CB C 13 69.483 0.2 . 1 . . . . 79 T CB . 7423 1 292 . 1 1 79 79 THR N N 15 113.498 0.2 . 1 . . . . 79 T N . 7423 1 293 . 1 1 80 80 ASP H H 1 8.523 0.01 . 1 . . . . 80 D HN . 7423 1 294 . 1 1 80 80 ASP C C 13 175.327 0.2 . 1 . . . . 80 D C . 7423 1 295 . 1 1 80 80 ASP CA C 13 52.926 0.2 . 1 . . . . 80 D CA . 7423 1 296 . 1 1 80 80 ASP CB C 13 40.949 0.2 . 1 . . . . 80 D CB . 7423 1 297 . 1 1 80 80 ASP N N 15 124.019 0.2 . 1 . . . . 80 D N . 7423 1 298 . 1 1 81 81 SER H H 1 8.79 0.01 . 1 . . . . 81 S HN . 7423 1 299 . 1 1 81 81 SER C C 13 174.827 0.2 . 1 . . . . 81 S C . 7423 1 300 . 1 1 81 81 SER CA C 13 58.885 0.2 . 1 . . . . 81 S CA . 7423 1 301 . 1 1 81 81 SER CB C 13 63.235 0.2 . 1 . . . . 81 S CB . 7423 1 302 . 1 1 81 81 SER N N 15 119.752 0.2 . 1 . . . . 81 S N . 7423 1 303 . 1 1 82 82 GLU H H 1 8.536 0.01 . 1 . . . . 82 E HN . 7423 1 304 . 1 1 82 82 GLU C C 13 178.027 0.2 . 1 . . . . 82 E C . 7423 1 305 . 1 1 82 82 GLU CA C 13 58.944 0.2 . 1 . . . . 82 E CA . 7423 1 306 . 1 1 82 82 GLU CB C 13 28.421 0.2 . 1 . . . . 82 E CB . 7423 1 307 . 1 1 82 82 GLU N N 15 122.188 0.2 . 1 . . . . 82 E N . 7423 1 308 . 1 1 83 83 GLU H H 1 8.217 0.01 . 1 . . . . 83 E HN . 7423 1 309 . 1 1 83 83 GLU C C 13 178.127 0.2 . 1 . . . . 83 E C . 7423 1 310 . 1 1 83 83 GLU CA C 13 58.519 0.2 . 1 . . . . 83 E CA . 7423 1 311 . 1 1 83 83 GLU CB C 13 28.367 0.2 . 1 . . . . 83 E CB . 7423 1 312 . 1 1 83 83 GLU N N 15 119.603 0.2 . 1 . . . . 83 E N . 7423 1 313 . 1 1 84 84 GLU H H 1 7.998 0.01 . 1 . . . . 84 E HN . 7423 1 314 . 1 1 84 84 GLU C C 13 179.527 0.2 . 1 . . . . 84 E C . 7423 1 315 . 1 1 84 84 GLU CA C 13 59.01 0.2 . 1 . . . . 84 E CA . 7423 1 316 . 1 1 84 84 GLU CB C 13 28.52 0.2 . 1 . . . . 84 E CB . 7423 1 317 . 1 1 84 84 GLU N N 15 118.453 0.2 . 1 . . . . 84 E N . 7423 1 318 . 1 1 85 85 ILE H H 1 8.175 0.01 . 1 . . . . 85 I HN . 7423 1 319 . 1 1 85 85 ILE C C 13 175.727 0.2 . 1 . . . . 85 I C . 7423 1 320 . 1 1 85 85 ILE CA C 13 65.01 0.2 . 1 . . . . 85 I CA . 7423 1 321 . 1 1 85 85 ILE CB C 13 36.341 0.2 . 1 . . . . 85 I CB . 7423 1 322 . 1 1 85 85 ILE N N 15 121.833 0.2 . 1 . . . . 85 I N . 7423 1 323 . 1 1 86 86 ARG H H 1 8.313 0.01 . 1 . . . . 86 R HN . 7423 1 324 . 1 1 86 86 ARG C C 13 177.527 0.2 . 1 . . . . 86 R C . 7423 1 325 . 1 1 86 86 ARG CA C 13 59.492 0.2 . 1 . . . . 86 R CA . 7423 1 326 . 1 1 86 86 ARG CB C 13 29.034 0.2 . 1 . . . . 86 R CB . 7423 1 327 . 1 1 86 86 ARG N N 15 121.861 0.2 . 1 . . . . 86 R N . 7423 1 328 . 1 1 87 87 GLU H H 1 8.403 0.01 . 1 . . . . 87 E HN . 7423 1 329 . 1 1 87 87 GLU C C 13 178.827 0.2 . 1 . . . . 87 E C . 7423 1 330 . 1 1 87 87 GLU CA C 13 58.154 0.2 . 1 . . . . 87 E CA . 7423 1 331 . 1 1 87 87 GLU CB C 13 28.288 0.2 . 1 . . . . 87 E CB . 7423 1 332 . 1 1 87 87 GLU N N 15 117.999 0.2 . 1 . . . . 87 E N . 7423 1 333 . 1 1 88 88 ALA H H 1 8.279 0.01 . 1 . . . . 88 A HN . 7423 1 334 . 1 1 88 88 ALA C C 13 178.727 0.2 . 1 . . . . 88 A C . 7423 1 335 . 1 1 88 88 ALA CA C 13 54.841 0.2 . 1 . . . . 88 A CA . 7423 1 336 . 1 1 88 88 ALA CB C 13 17.643 0.2 . 1 . . . . 88 A CB . 7423 1 337 . 1 1 88 88 ALA N N 15 122.537 0.2 . 1 . . . . 88 A N . 7423 1 338 . 1 1 89 89 PHE H H 1 8.667 0.01 . 1 . . . . 89 F HN . 7423 1 339 . 1 1 89 89 PHE C C 13 176.227 0.2 . 1 . . . . 89 F C . 7423 1 340 . 1 1 89 89 PHE CA C 13 61.705 0.2 . 1 . . . . 89 F CA . 7423 1 341 . 1 1 89 89 PHE CB C 13 38.171 0.2 . 1 . . . . 89 F CB . 7423 1 342 . 1 1 89 89 PHE N N 15 119.32 0.2 . 1 . . . . 89 F N . 7423 1 343 . 1 1 90 90 ARG H H 1 7.707 0.01 . 1 . . . . 90 R HN . 7423 1 344 . 1 1 90 90 ARG C C 13 176.927 0.2 . 1 . . . . 90 R C . 7423 1 345 . 1 1 90 90 ARG CA C 13 58.165 0.2 . 1 . . . . 90 R CA . 7423 1 346 . 1 1 90 90 ARG CB C 13 29.432 0.2 . 1 . . . . 90 R CB . 7423 1 347 . 1 1 90 90 ARG N N 15 115.611 0.2 . 1 . . . . 90 R N . 7423 1 348 . 1 1 91 91 VAL H H 1 7.427 0.01 . 1 . . . . 91 V HN . 7423 1 349 . 1 1 91 91 VAL C C 13 176.127 0.2 . 1 . . . . 91 V C . 7423 1 350 . 1 1 91 91 VAL CA C 13 65.039 0.2 . 1 . . . . 91 V CA . 7423 1 351 . 1 1 91 91 VAL CB C 13 30.716 0.2 . 1 . . . . 91 V CB . 7423 1 352 . 1 1 91 91 VAL N N 15 117.967 0.2 . 1 . . . . 91 V N . 7423 1 353 . 1 1 92 92 PHE H H 1 7.077 0.01 . 1 . . . . 92 F HN . 7423 1 354 . 1 1 92 92 PHE C C 13 176.027 0.2 . 1 . . . . 92 F C . 7423 1 355 . 1 1 92 92 PHE CA C 13 60.027 0.2 . 1 . . . . 92 F CA . 7423 1 356 . 1 1 92 92 PHE CB C 13 40.598 0.2 . 1 . . . . 92 F CB . 7423 1 357 . 1 1 92 92 PHE N N 15 113.871 0.2 . 1 . . . . 92 F N . 7423 1 358 . 1 1 93 93 ASP H H 1 7.945 0.01 . 1 . . . . 93 D HN . 7423 1 359 . 1 1 93 93 ASP C C 13 176.927 0.2 . 1 . . . . 93 D C . 7423 1 360 . 1 1 93 93 ASP CA C 13 51.474 0.2 . 1 . . . . 93 D CA . 7423 1 361 . 1 1 93 93 ASP CB C 13 37.818 0.2 . 1 . . . . 93 D CB . 7423 1 362 . 1 1 93 93 ASP N N 15 116.383 0.2 . 1 . . . . 93 D N . 7423 1 363 . 1 1 94 94 LYS H H 1 7.823 0.01 . 1 . . . . 94 K HN . 7423 1 364 . 1 1 94 94 LYS C C 13 177.627 0.2 . 1 . . . . 94 K C . 7423 1 365 . 1 1 94 94 LYS CA C 13 58.155 0.2 . 1 . . . . 94 K CA . 7423 1 366 . 1 1 94 94 LYS CB C 13 31.582 0.2 . 1 . . . . 94 K CB . 7423 1 367 . 1 1 94 94 LYS N N 15 125.659 0.2 . 1 . . . . 94 K N . 7423 1 368 . 1 1 95 95 ASP H H 1 8.228 0.01 . 1 . . . . 95 D HN . 7423 1 369 . 1 1 95 95 ASP C C 13 177.027 0.2 . 1 . . . . 95 D C . 7423 1 370 . 1 1 95 95 ASP CA C 13 52.179 0.2 . 1 . . . . 95 D CA . 7423 1 371 . 1 1 95 95 ASP CB C 13 38.764 0.2 . 1 . . . . 95 D CB . 7423 1 372 . 1 1 95 95 ASP N N 15 114.128 0.2 . 1 . . . . 95 D N . 7423 1 373 . 1 1 96 96 GLY H H 1 7.822 0.01 . 1 . . . . 96 G HN . 7423 1 374 . 1 1 96 96 GLY C C 13 174.427 0.2 . 1 . . . . 96 G C . 7423 1 375 . 1 1 96 96 GLY CA C 13 46.238 0.2 . 1 . . . . 96 G CA . 7423 1 376 . 1 1 96 96 GLY N N 15 109.174 0.2 . 1 . . . . 96 G N . 7423 1 377 . 1 1 97 97 ASN H H 1 8.354 0.01 . 1 . . . . 97 N HN . 7423 1 378 . 1 1 97 97 ASN C C 13 175.327 0.2 . 1 . . . . 97 N C . 7423 1 379 . 1 1 97 97 ASN CA C 13 51.726 0.2 . 1 . . . . 97 N CA . 7423 1 380 . 1 1 97 97 ASN CB C 13 37.122 0.2 . 1 . . . . 97 N CB . 7423 1 381 . 1 1 97 97 ASN N N 15 119.789 0.2 . 1 . . . . 97 N N . 7423 1 382 . 1 1 98 98 GLY H H 1 10.685 0.01 . 1 . . . . 98 G HN . 7423 1 383 . 1 1 98 98 GLY C C 13 172.127 0.2 . 1 . . . . 98 G C . 7423 1 384 . 1 1 98 98 GLY CA C 13 44.077 0.2 . 1 . . . . 98 G CA . 7423 1 385 . 1 1 98 98 GLY N N 15 112.854 0.2 . 1 . . . . 98 G N . 7423 1 386 . 1 1 99 99 TYR H H 1 7.688 0.01 . 1 . . . . 99 Y HN . 7423 1 387 . 1 1 99 99 TYR C C 13 173.927 0.2 . 1 . . . . 99 Y C . 7423 1 388 . 1 1 99 99 TYR CA C 13 55.364 0.2 . 1 . . . . 99 Y CA . 7423 1 389 . 1 1 99 99 TYR CB C 13 41.846 0.2 . 1 . . . . 99 Y CB . 7423 1 390 . 1 1 99 99 TYR N N 15 116.442 0.2 . 1 . . . . 99 Y N . 7423 1 391 . 1 1 100 100 ILE H H 1 10.148 0.01 . 1 . . . . 100 I HN . 7423 1 392 . 1 1 100 100 ILE C C 13 174.627 0.2 . 1 . . . . 100 I C . 7423 1 393 . 1 1 100 100 ILE CA C 13 60.542 0.2 . 1 . . . . 100 I CA . 7423 1 394 . 1 1 100 100 ILE CB C 13 38.4 0.2 . 1 . . . . 100 I CB . 7423 1 395 . 1 1 100 100 ILE N N 15 127.346 0.2 . 1 . . . . 100 I N . 7423 1 396 . 1 1 101 101 SER H H 1 8.981 0.01 . 1 . . . . 101 S HN . 7423 1 397 . 1 1 101 101 SER C C 13 174.427 0.2 . 1 . . . . 101 S C . 7423 1 398 . 1 1 101 101 SER CA C 13 54.898 0.2 . 1 . . . . 101 S CA . 7423 1 399 . 1 1 101 101 SER CB C 13 66.143 0.2 . 1 . . . . 101 S CB . 7423 1 400 . 1 1 101 101 SER N N 15 123.955 0.2 . 1 . . . . 101 S N . 7423 1 401 . 1 1 102 102 ALA H H 1 9.243 0.01 . 1 . . . . 102 A HN . 7423 1 402 . 1 1 102 102 ALA C C 13 178.927 0.2 . 1 . . . . 102 A C . 7423 1 403 . 1 1 102 102 ALA CA C 13 55.057 0.2 . 1 . . . . 102 A CA . 7423 1 404 . 1 1 102 102 ALA CB C 13 16.975 0.2 . 1 . . . . 102 A CB . 7423 1 405 . 1 1 102 102 ALA N N 15 123.093 0.2 . 1 . . . . 102 A N . 7423 1 406 . 1 1 103 103 ALA H H 1 8.208 0.01 . 1 . . . . 103 A HN . 7423 1 407 . 1 1 103 103 ALA C C 13 180.827 0.2 . 1 . . . . 103 A C . 7423 1 408 . 1 1 103 103 ALA CA C 13 54.325 0.2 . 1 . . . . 103 A CA . 7423 1 409 . 1 1 103 103 ALA CB C 13 17.321 0.2 . 1 . . . . 103 A CB . 7423 1 410 . 1 1 103 103 ALA N N 15 118.796 0.2 . 1 . . . . 103 A N . 7423 1 411 . 1 1 104 104 GLU H H 1 7.923 0.01 . 1 . . . . 104 E HN . 7423 1 412 . 1 1 104 104 GLU C C 13 178.627 0.2 . 1 . . . . 104 E C . 7423 1 413 . 1 1 104 104 GLU CA C 13 58.693 0.2 . 1 . . . . 104 E CA . 7423 1 414 . 1 1 104 104 GLU CB C 13 28.089 0.2 . 1 . . . . 104 E CB . 7423 1 415 . 1 1 104 104 GLU N N 15 120.847 0.2 . 1 . . . . 104 E N . 7423 1 416 . 1 1 105 105 LEU H H 1 8.495 0.01 . 1 . . . . 105 L HN . 7423 1 417 . 1 1 105 105 LEU C C 13 177.527 0.2 . 1 . . . . 105 L C . 7423 1 418 . 1 1 105 105 LEU CA C 13 58.117 0.2 . 1 . . . . 105 L CA . 7423 1 419 . 1 1 105 105 LEU CB C 13 40.931 0.2 . 1 . . . . 105 L CB . 7423 1 420 . 1 1 105 105 LEU N N 15 121.063 0.2 . 1 . . . . 105 L N . 7423 1 421 . 1 1 106 106 ARG H H 1 8.717 0.01 . 1 . . . . 106 R HN . 7423 1 422 . 1 1 106 106 ARG CA C 13 59.27 0.2 . 1 . . . . 106 R CA . 7423 1 423 . 1 1 106 106 ARG N N 15 117.978 0.2 . 1 . . . . 106 R N . 7423 1 424 . 1 1 108 108 VAL H H 1 8.004 0.01 . 1 . . . . 108 V HN . 7423 1 425 . 1 1 108 108 VAL C C 13 177.627 0.2 . 1 . . . . 108 V C . 7423 1 426 . 1 1 108 108 VAL CA C 13 66.028 0.2 . 1 . . . . 108 V CA . 7423 1 427 . 1 1 108 108 VAL CB C 13 30.626 0.2 . 1 . . . . 108 V CB . 7423 1 428 . 1 1 108 108 VAL N N 15 118.942 0.2 . 1 . . . . 108 V N . 7423 1 429 . 1 1 109 109 MET H H 1 8.432 0.01 . 1 . . . . 109 M HN . 7423 1 430 . 1 1 109 109 MET C C 13 178.727 0.2 . 1 . . . . 109 M C . 7423 1 431 . 1 1 109 109 MET CA C 13 56.539 0.2 . 1 . . . . 109 M CA . 7423 1 432 . 1 1 109 109 MET CB C 13 28.724 0.2 . 1 . . . . 109 M CB . 7423 1 433 . 1 1 109 109 MET N N 15 115.482 0.2 . 1 . . . . 109 M N . 7423 1 434 . 1 1 110 110 THR H H 1 8.344 0.01 . 1 . . . . 110 T HN . 7423 1 435 . 1 1 110 110 THR C C 13 177.727 0.2 . 1 . . . . 110 T C . 7423 1 436 . 1 1 110 110 THR CA C 13 65.977 0.2 . 1 . . . . 110 T CA . 7423 1 437 . 1 1 110 110 THR CB C 13 67.72 0.2 . 1 . . . . 110 T CB . 7423 1 438 . 1 1 110 110 THR N N 15 116.491 0.2 . 1 . . . . 110 T N . 7423 1 439 . 1 1 111 111 ASN H H 1 7.78 0.01 . 1 . . . . 111 N HN . 7423 1 440 . 1 1 111 111 ASN C C 13 175.827 0.2 . 1 . . . . 111 N C . 7423 1 441 . 1 1 111 111 ASN CA C 13 55.007 0.2 . 1 . . . . 111 N CA . 7423 1 442 . 1 1 111 111 ASN CB C 13 36.858 0.2 . 1 . . . . 111 N CB . 7423 1 443 . 1 1 111 111 ASN N N 15 123.358 0.2 . 1 . . . . 111 N N . 7423 1 444 . 1 1 112 112 LEU H H 1 7.869 0.01 . 1 . . . . 112 L HN . 7423 1 445 . 1 1 112 112 LEU C C 13 175.827 0.2 . 1 . . . . 112 L C . 7423 1 446 . 1 1 112 112 LEU CA C 13 54.363 0.2 . 1 . . . . 112 L CA . 7423 1 447 . 1 1 112 112 LEU CB C 13 41.181 0.2 . 1 . . . . 112 L CB . 7423 1 448 . 1 1 112 112 LEU N N 15 119.262 0.2 . 1 . . . . 112 L N . 7423 1 449 . 1 1 113 113 GLY H H 1 7.766 0.01 . 1 . . . . 113 G HN . 7423 1 450 . 1 1 113 113 GLY C C 13 173.627 0.2 . 1 . . . . 113 G C . 7423 1 451 . 1 1 113 113 GLY CA C 13 44.4 0.2 . 1 . . . . 113 G CA . 7423 1 452 . 1 1 113 113 GLY N N 15 105.94 0.2 . 1 . . . . 113 G N . 7423 1 453 . 1 1 114 114 GLU H H 1 8.027 0.01 . 1 . . . . 114 E HN . 7423 1 454 . 1 1 114 114 GLU C C 13 174.327 0.2 . 1 . . . . 114 E C . 7423 1 455 . 1 1 114 114 GLU CA C 13 54.117 0.2 . 1 . . . . 114 E CA . 7423 1 456 . 1 1 114 114 GLU CB C 13 29.685 0.2 . 1 . . . . 114 E CB . 7423 1 457 . 1 1 114 114 GLU N N 15 120.382 0.2 . 1 . . . . 114 E N . 7423 1 458 . 1 1 115 115 LYS H H 1 8.593 0.01 . 1 . . . . 115 K HN . 7423 1 459 . 1 1 115 115 LYS C C 13 174.627 0.2 . 1 . . . . 115 K C . 7423 1 460 . 1 1 115 115 LYS CA C 13 54.424 0.2 . 1 . . . . 115 K CA . 7423 1 461 . 1 1 115 115 LYS CB C 13 30.837 0.2 . 1 . . . . 115 K CB . 7423 1 462 . 1 1 115 115 LYS N N 15 125.576 0.2 . 1 . . . . 115 K N . 7423 1 463 . 1 1 116 116 LEU H H 1 8.031 0.01 . 1 . . . . 116 L HN . 7423 1 464 . 1 1 116 116 LEU C C 13 177.527 0.2 . 1 . . . . 116 L C . 7423 1 465 . 1 1 116 116 LEU CA C 13 53.053 0.2 . 1 . . . . 116 L CA . 7423 1 466 . 1 1 116 116 LEU CB C 13 43.919 0.2 . 1 . . . . 116 L CB . 7423 1 467 . 1 1 116 116 LEU N N 15 124.734 0.2 . 1 . . . . 116 L N . 7423 1 468 . 1 1 117 117 THR H H 1 9.241 0.01 . 1 . . . . 117 T HN . 7423 1 469 . 1 1 117 117 THR C C 13 174.727 0.2 . 1 . . . . 117 T C . 7423 1 470 . 1 1 117 117 THR CA C 13 59.801 0.2 . 1 . . . . 117 T CA . 7423 1 471 . 1 1 117 117 THR CB C 13 70.452 0.2 . 1 . . . . 117 T CB . 7423 1 472 . 1 1 117 117 THR N N 15 114.87 0.2 . 1 . . . . 117 T N . 7423 1 473 . 1 1 118 118 ASP H H 1 8.887 0.01 . 1 . . . . 118 D HN . 7423 1 474 . 1 1 118 118 ASP C C 13 177.827 0.2 . 1 . . . . 118 D C . 7423 1 475 . 1 1 118 118 ASP CA C 13 57.259 0.2 . 1 . . . . 118 D CA . 7423 1 476 . 1 1 118 118 ASP CB C 13 38.584 0.2 . 1 . . . . 118 D CB . 7423 1 477 . 1 1 118 118 ASP N N 15 121.141 0.2 . 1 . . . . 118 D N . 7423 1 478 . 1 1 119 119 GLU H H 1 8.597 0.01 . 1 . . . . 119 E HN . 7423 1 479 . 1 1 119 119 GLU C C 13 178.427 0.2 . 1 . . . . 119 E C . 7423 1 480 . 1 1 119 119 GLU CA C 13 59.159 0.2 . 1 . . . . 119 E CA . 7423 1 481 . 1 1 119 119 GLU CB C 13 28.16 0.2 . 1 . . . . 119 E CB . 7423 1 482 . 1 1 119 119 GLU N N 15 119.331 0.2 . 1 . . . . 119 E N . 7423 1 483 . 1 1 120 120 GLU H H 1 7.679 0.01 . 1 . . . . 120 E HN . 7423 1 484 . 1 1 120 120 GLU C C 13 178.927 0.2 . 1 . . . . 120 E C . 7423 1 485 . 1 1 120 120 GLU CA C 13 58.538 0.2 . 1 . . . . 120 E CA . 7423 1 486 . 1 1 120 120 GLU CB C 13 29.776 0.2 . 1 . . . . 120 E CB . 7423 1 487 . 1 1 120 120 GLU N N 15 120.431 0.2 . 1 . . . . 120 E N . 7423 1 488 . 1 1 121 121 VAL H H 1 8.019 0.01 . 1 . . . . 121 V HN . 7423 1 489 . 1 1 121 121 VAL C C 13 176.527 0.2 . 1 . . . . 121 V C . 7423 1 490 . 1 1 121 121 VAL CA C 13 66.201 0.2 . 1 . . . . 121 V CA . 7423 1 491 . 1 1 121 121 VAL CB C 13 30.482 0.2 . 1 . . . . 121 V CB . 7423 1 492 . 1 1 121 121 VAL N N 15 120.562 0.2 . 1 . . . . 121 V N . 7423 1 493 . 1 1 122 122 ASP H H 1 7.833 0.01 . 1 . . . . 122 D HN . 7423 1 494 . 1 1 122 122 ASP C C 13 178.727 0.2 . 1 . . . . 122 D C . 7423 1 495 . 1 1 122 122 ASP CA C 13 56.761 0.2 . 1 . . . . 122 D CA . 7423 1 496 . 1 1 122 122 ASP CB C 13 39.68 0.2 . 1 . . . . 122 D CB . 7423 1 497 . 1 1 122 122 ASP N N 15 119.22 0.2 . 1 . . . . 122 D N . 7423 1 498 . 1 1 123 123 GLU H H 1 8.018 0.01 . 1 . . . . 123 E HN . 7423 1 499 . 1 1 123 123 GLU C C 13 177.727 0.2 . 1 . . . . 123 E C . 7423 1 500 . 1 1 123 123 GLU CA C 13 58.539 0.2 . 1 . . . . 123 E CA . 7423 1 501 . 1 1 123 123 GLU CB C 13 28.709 0.2 . 1 . . . . 123 E CB . 7423 1 502 . 1 1 123 123 GLU N N 15 119.598 0.2 . 1 . . . . 123 E N . 7423 1 503 . 1 1 124 124 MET H H 1 7.782 0.01 . 1 . . . . 124 M HN . 7423 1 504 . 1 1 124 124 MET C C 13 178.227 0.2 . 1 . . . . 124 M C . 7423 1 505 . 1 1 124 124 MET CA C 13 59.304 0.2 . 1 . . . . 124 M CA . 7423 1 506 . 1 1 124 124 MET CB C 13 28.592 0.2 . 1 . . . . 124 M CB . 7423 1 507 . 1 1 124 124 MET N N 15 119.871 0.2 . 1 . . . . 124 M N . 7423 1 508 . 1 1 125 125 ILE H H 1 8.031 0.01 . 1 . . . . 125 I HN . 7423 1 509 . 1 1 125 125 ILE C C 13 178.427 0.2 . 1 . . . . 125 I C . 7423 1 510 . 1 1 125 125 ILE CA C 13 62.447 0.2 . 1 . . . . 125 I CA . 7423 1 511 . 1 1 125 125 ILE CB C 13 34.855 0.2 . 1 . . . . 125 I CB . 7423 1 512 . 1 1 125 125 ILE N N 15 119.54 0.2 . 1 . . . . 125 I N . 7423 1 513 . 1 1 126 126 ARG H H 1 8.249 0.01 . 1 . . . . 126 R HN . 7423 1 514 . 1 1 126 126 ARG C C 13 177.627 0.2 . 1 . . . . 126 R C . 7423 1 515 . 1 1 126 126 ARG CA C 13 58.897 0.2 . 1 . . . . 126 R CA . 7423 1 516 . 1 1 126 126 ARG CB C 13 29.814 0.2 . 1 . . . . 126 R CB . 7423 1 517 . 1 1 126 126 ARG N N 15 118.24 0.2 . 1 . . . . 126 R N . 7423 1 518 . 1 1 127 127 GLU H H 1 7.919 0.01 . 1 . . . . 127 E HN . 7423 1 519 . 1 1 127 127 GLU C C 13 176.327 0.2 . 1 . . . . 127 E C . 7423 1 520 . 1 1 127 127 GLU CA C 13 58.206 0.2 . 1 . . . . 127 E CA . 7423 1 521 . 1 1 127 127 GLU CB C 13 29.136 0.2 . 1 . . . . 127 E CB . 7423 1 522 . 1 1 127 127 GLU N N 15 117.262 0.2 . 1 . . . . 127 E N . 7423 1 523 . 1 1 128 128 ALA H H 1 7.205 0.01 . 1 . . . . 128 A HN . 7423 1 524 . 1 1 128 128 ALA C C 13 176.727 0.2 . 1 . . . . 128 A C . 7423 1 525 . 1 1 128 128 ALA CA C 13 50.445 0.2 . 1 . . . . 128 A CA . 7423 1 526 . 1 1 128 128 ALA CB C 13 21.324 0.2 . 1 . . . . 128 A CB . 7423 1 527 . 1 1 128 128 ALA N N 15 117.335 0.2 . 1 . . . . 128 A N . 7423 1 528 . 1 1 129 129 ASP H H 1 8.004 0.01 . 1 . . . . 129 D HN . 7423 1 529 . 1 1 129 129 ASP C C 13 175.027 0.2 . 1 . . . . 129 D C . 7423 1 530 . 1 1 129 129 ASP CA C 13 53.636 0.2 . 1 . . . . 129 D CA . 7423 1 531 . 1 1 129 129 ASP CB C 13 39.874 0.2 . 1 . . . . 129 D CB . 7423 1 532 . 1 1 129 129 ASP N N 15 118.339 0.2 . 1 . . . . 129 D N . 7423 1 533 . 1 1 130 130 ILE H H 1 8.197 0.01 . 1 . . . . 130 I HN . 7423 1 534 . 1 1 130 130 ILE C C 13 177.027 0.2 . 1 . . . . 130 I C . 7423 1 535 . 1 1 130 130 ILE CA C 13 62.585 0.2 . 1 . . . . 130 I CA . 7423 1 536 . 1 1 130 130 ILE CB C 13 37.635 0.2 . 1 . . . . 130 I CB . 7423 1 537 . 1 1 130 130 ILE N N 15 128.134 0.2 . 1 . . . . 130 I N . 7423 1 538 . 1 1 131 131 ASP H H 1 8.279 0.01 . 1 . . . . 131 D HN . 7423 1 539 . 1 1 131 131 ASP C C 13 177.427 0.2 . 1 . . . . 131 D C . 7423 1 540 . 1 1 131 131 ASP CA C 13 53.086 0.2 . 1 . . . . 131 D CA . 7423 1 541 . 1 1 131 131 ASP CB C 13 38.896 0.2 . 1 . . . . 131 D CB . 7423 1 542 . 1 1 131 131 ASP N N 15 116.628 0.2 . 1 . . . . 131 D N . 7423 1 543 . 1 1 132 132 GLY H H 1 7.617 0.01 . 1 . . . . 132 G HN . 7423 1 544 . 1 1 132 132 GLY C C 13 174.427 0.2 . 1 . . . . 132 G C . 7423 1 545 . 1 1 132 132 GLY CA C 13 46.493 0.2 . 1 . . . . 132 G CA . 7423 1 546 . 1 1 132 132 GLY N N 15 108.709 0.2 . 1 . . . . 132 G N . 7423 1 547 . 1 1 133 133 ASP H H 1 8.308 0.01 . 1 . . . . 133 D HN . 7423 1 548 . 1 1 133 133 ASP C C 13 176.727 0.2 . 1 . . . . 133 D C . 7423 1 549 . 1 1 133 133 ASP CA C 13 52.841 0.2 . 1 . . . . 133 D CA . 7423 1 550 . 1 1 133 133 ASP CB C 13 39.07 0.2 . 1 . . . . 133 D CB . 7423 1 551 . 1 1 133 133 ASP N N 15 120.692 0.2 . 1 . . . . 133 D N . 7423 1 552 . 1 1 134 134 GLY H H 1 10.138 0.01 . 1 . . . . 134 G HN . 7423 1 553 . 1 1 134 134 GLY C C 13 171.927 0.2 . 1 . . . . 134 G C . 7423 1 554 . 1 1 134 134 GLY CA C 13 45.011 0.2 . 1 . . . . 134 G CA . 7423 1 555 . 1 1 134 134 GLY N N 15 112.581 0.2 . 1 . . . . 134 G N . 7423 1 556 . 1 1 135 135 GLN H H 1 7.934 0.01 . 1 . . . . 135 Q HN . 7423 1 557 . 1 1 135 135 GLN C C 13 174.327 0.2 . 1 . . . . 135 Q C . 7423 1 558 . 1 1 135 135 GLN CA C 13 52.355 0.2 . 1 . . . . 135 Q CA . 7423 1 559 . 1 1 135 135 GLN CB C 13 31.56 0.2 . 1 . . . . 135 Q CB . 7423 1 560 . 1 1 135 135 GLN N N 15 115.285 0.2 . 1 . . . . 135 Q N . 7423 1 561 . 1 1 136 136 VAL H H 1 9.093 0.01 . 1 . . . . 136 V HN . 7423 1 562 . 1 1 136 136 VAL C C 13 175.027 0.2 . 1 . . . . 136 V C . 7423 1 563 . 1 1 136 136 VAL CA C 13 60.841 0.2 . 1 . . . . 136 V CA . 7423 1 564 . 1 1 136 136 VAL CB C 13 33.207 0.2 . 1 . . . . 136 V CB . 7423 1 565 . 1 1 136 136 VAL N N 15 125.564 0.2 . 1 . . . . 136 V N . 7423 1 566 . 1 1 137 137 ASN H H 1 9.408 0.01 . 1 . . . . 137 N HN . 7423 1 567 . 1 1 137 137 ASN C C 13 174.027 0.2 . 1 . . . . 137 N C . 7423 1 568 . 1 1 137 137 ASN CA C 13 50.172 0.2 . 1 . . . . 137 N CA . 7423 1 569 . 1 1 137 137 ASN CB C 13 37.607 0.2 . 1 . . . . 137 N CB . 7423 1 570 . 1 1 137 137 ASN N N 15 129.089 0.2 . 1 . . . . 137 N N . 7423 1 571 . 1 1 138 138 TYR H H 1 8.346 0.01 . 1 . . . . 138 Y HN . 7423 1 572 . 1 1 138 138 TYR C C 13 175.327 0.2 . 1 . . . . 138 Y C . 7423 1 573 . 1 1 138 138 TYR CA C 13 61.586 0.2 . 1 . . . . 138 Y CA . 7423 1 574 . 1 1 138 138 TYR CB C 13 36.631 0.2 . 1 . . . . 138 Y CB . 7423 1 575 . 1 1 138 138 TYR N N 15 118.769 0.2 . 1 . . . . 138 Y N . 7423 1 576 . 1 1 139 139 GLU H H 1 8.056 0.01 . 1 . . . . 139 E HN . 7423 1 577 . 1 1 139 139 GLU C C 13 179.527 0.2 . 1 . . . . 139 E C . 7423 1 578 . 1 1 139 139 GLU CA C 13 59.441 0.2 . 1 . . . . 139 E CA . 7423 1 579 . 1 1 139 139 GLU CB C 13 27.94 0.2 . 1 . . . . 139 E CB . 7423 1 580 . 1 1 139 139 GLU N N 15 118.607 0.2 . 1 . . . . 139 E N . 7423 1 581 . 1 1 140 140 GLU H H 1 8.696 0.01 . 1 . . . . 140 E HN . 7423 1 582 . 1 1 140 140 GLU C C 13 178.527 0.2 . 1 . . . . 140 E C . 7423 1 583 . 1 1 140 140 GLU CA C 13 57.96 0.2 . 1 . . . . 140 E CA . 7423 1 584 . 1 1 140 140 GLU CB C 13 28.25 0.2 . 1 . . . . 140 E CB . 7423 1 585 . 1 1 140 140 GLU N N 15 120.066 0.2 . 1 . . . . 140 E N . 7423 1 586 . 1 1 141 141 PHE H H 1 8.521 0.01 . 1 . . . . 141 F HN . 7423 1 587 . 1 1 141 141 PHE C C 13 176.027 0.2 . 1 . . . . 141 F C . 7423 1 588 . 1 1 141 141 PHE CA C 13 61.1 0.2 . 1 . . . . 141 F CA . 7423 1 589 . 1 1 141 141 PHE CB C 13 39.514 0.2 . 1 . . . . 141 F CB . 7423 1 590 . 1 1 141 141 PHE N N 15 124.534 0.2 . 1 . . . . 141 F N . 7423 1 591 . 1 1 142 142 VAL H H 1 8.654 0.01 . 1 . . . . 142 V HN . 7423 1 592 . 1 1 142 142 VAL C C 13 176.527 0.2 . 1 . . . . 142 V C . 7423 1 593 . 1 1 142 142 VAL CA C 13 66.193 0.2 . 1 . . . . 142 V CA . 7423 1 594 . 1 1 142 142 VAL CB C 13 30.418 0.2 . 1 . . . . 142 V CB . 7423 1 595 . 1 1 142 142 VAL N N 15 118.987 0.2 . 1 . . . . 142 V N . 7423 1 596 . 1 1 143 143 GLN H H 1 7.832 0.01 . 1 . . . . 143 Q HN . 7423 1 597 . 1 1 143 143 GLN C C 13 177.327 0.2 . 1 . . . . 143 Q C . 7423 1 598 . 1 1 143 143 GLN CA C 13 58.207 0.2 . 1 . . . . 143 Q CA . 7423 1 599 . 1 1 143 143 GLN CB C 13 26.865 0.2 . 1 . . . . 143 Q CB . 7423 1 600 . 1 1 143 143 GLN N N 15 119.368 0.2 . 1 . . . . 143 Q N . 7423 1 601 . 1 1 144 144 MET H H 1 7.505 0.01 . 1 . . . . 144 M HN . 7423 1 602 . 1 1 144 144 MET C C 13 177.227 0.2 . 1 . . . . 144 M C . 7423 1 603 . 1 1 144 144 MET CA C 13 56.977 0.2 . 1 . . . . 144 M CA . 7423 1 604 . 1 1 144 144 MET CB C 13 29.103 0.2 . 1 . . . . 144 M CB . 7423 1 605 . 1 1 144 144 MET N N 15 118.439 0.2 . 1 . . . . 144 M N . 7423 1 606 . 1 1 145 145 MET H H 1 7.487 0.01 . 1 . . . . 145 M HN . 7423 1 607 . 1 1 145 145 MET C C 13 177.227 0.2 . 1 . . . . 145 M C . 7423 1 608 . 1 1 145 145 MET CA C 13 54.042 0.2 . 1 . . . . 145 M CA . 7423 1 609 . 1 1 145 145 MET CB C 13 29.747 0.2 . 1 . . . . 145 M CB . 7423 1 610 . 1 1 145 145 MET N N 15 114.855 0.2 . 1 . . . . 145 M N . 7423 1 611 . 1 1 146 146 THR H H 1 7.682 0.01 . 1 . . . . 146 T HN . 7423 1 612 . 1 1 146 146 THR C C 13 173.627 0.2 . 1 . . . . 146 T C . 7423 1 613 . 1 1 146 146 THR CA C 13 61.235 0.2 . 1 . . . . 146 T CA . 7423 1 614 . 1 1 146 146 THR CB C 13 69.604 0.2 . 1 . . . . 146 T CB . 7423 1 615 . 1 1 146 146 THR N N 15 109.894 0.2 . 1 . . . . 146 T N . 7423 1 616 . 1 1 147 147 ALA H H 1 7.439 0.01 . 1 . . . . 147 A HN . 7423 1 617 . 1 1 147 147 ALA C C 13 176.027 0.2 . 1 . . . . 147 A C . 7423 1 618 . 1 1 147 147 ALA CA C 13 52.043 0.2 . 1 . . . . 147 A CA . 7423 1 619 . 1 1 147 147 ALA CB C 13 18.089 0.2 . 1 . . . . 147 A CB . 7423 1 620 . 1 1 147 147 ALA N N 15 126.765 0.2 . 1 . . . . 147 A N . 7423 1 621 . 1 1 148 148 LYS H H 1 8.013 0.01 . 1 . . . . 148 K HN . 7423 1 622 . 1 1 148 148 LYS CA C 13 57.009 0.2 . 1 . . . . 148 K CA . 7423 1 623 . 1 1 148 148 LYS N N 15 126.719 0.2 . 1 . . . . 148 K N . 7423 1 stop_ save_ ################################ # Residual dipolar couplings # ################################ save_3CaYbCaM_DAPk_rdc _RDC_list.Sf_category RDCs _RDC_list.Sf_framecode 3CaYbCaM_DAPk_rdc _RDC_list.Entry_ID 7423 _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 1 '2D 1H-15N HSQC' . . . 7423 1 5 IPAP . . . 7423 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 . . 7423 1 2 $CARA . . 7423 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 . . 1 1 3 3 GLN . . . . . 1 1 3 3 GLN . . . . -1.773 . . . . . . . . . . . . . . 7423 1 2 . . 1 1 4 4 LEU . . . . . 1 1 4 4 LEU . . . . 0.922 . . . . . . . . . . . . . . 7423 1 3 . . 1 1 5 5 THR . . . . . 1 1 5 5 THR . . . . 4.753 . . . . . . . . . . . . . . 7423 1 4 . . 1 1 6 6 GLU . . . . . 1 1 6 6 GLU . . . . -1.773 . . . . . . . . . . . . . . 7423 1 5 . . 1 1 7 7 GLU . . . . . 1 1 7 7 GLU . . . . -1.986 . . . . . . . . . . . . . . 7423 1 6 . . 1 1 8 8 GLN . . . . . 1 1 8 8 GLN . . . . 1.560 . . . . . . . . . . . . . . 7423 1 7 . . 1 1 9 9 ILE . . . . . 1 1 9 9 ILE . . . . -0.283 . . . . . . . . . . . . . . 7423 1 8 . . 1 1 10 10 ALA . . . . . 1 1 10 10 ALA . . . . -4.966 . . . . . . . . . . . . . . 7423 1 9 . . 1 1 11 11 GLU . . . . . 1 1 11 11 GLU . . . . -1.915 . . . . . . . . . . . . . . 7423 1 10 . . 1 1 13 13 LYS . . . . . 1 1 13 13 LYS . . . . -3.405 . . . . . . . . . . . . . . 7423 1 11 . . 1 1 15 15 ALA . . . . . 1 1 15 15 ALA . . . . -2.483 . . . . . . . . . . . . . . 7423 1 12 . . 1 1 16 16 PHE . . . . . 1 1 16 16 PHE . . . . -1.702 . . . . . . . . . . . . . . 7423 1 13 . . 1 1 17 17 SER . . . . . 1 1 17 17 SER . . . . -4.469 . . . . . . . . . . . . . . 7423 1 14 . . 1 1 18 18 LEU . . . . . 1 1 18 18 LEU . . . . -3.192 . . . . . . . . . . . . . . 7423 1 15 . . 1 1 19 19 PHE . . . . . 1 1 19 19 PHE . . . . -1.560 . . . . . . . . . . . . . . 7423 1 16 . . 1 1 20 20 ASP . . . . . 1 1 20 20 ASP . . . . -3.121 . . . . . . . . . . . . . . 7423 1 17 . . 1 1 21 21 LYS . . . . . 1 1 21 21 LYS . . . . -2.979 . . . . . . . . . . . . . . 7423 1 18 . . 1 1 22 22 ASP . . . . . 1 1 22 22 ASP . . . . -4.044 . . . . . . . . . . . . . . 7423 1 19 . . 1 1 23 23 GLY . . . . . 1 1 23 23 GLY . . . . 1.277 . . . . . . . . . . . . . . 7423 1 20 . . 1 1 24 24 ASP . . . . . 1 1 24 24 ASP . . . . 3.476 . . . . . . . . . . . . . . 7423 1 21 . . 1 1 25 25 GLY . . . . . 1 1 25 25 GLY . . . . 6.953 . . . . . . . . . . . . . . 7423 1 22 . . 1 1 26 26 THR . . . . . 1 1 26 26 THR . . . . -1.702 . . . . . . . . . . . . . . 7423 1 23 . . 1 1 28 28 THR . . . . . 1 1 28 28 THR . . . . -2.696 . . . . . . . . . . . . . . 7423 1 24 . . 1 1 29 29 THR . . . . . 1 1 29 29 THR . . . . 1.489 . . . . . . . . . . . . . . 7423 1 25 . . 1 1 30 30 LYS . . . . . 1 1 30 30 LYS . . . . 5.605 . . . . . . . . . . . . . . 7423 1 26 . . 1 1 31 31 GLU . . . . . 1 1 31 31 GLU . . . . 7.449 . . . . . . . . . . . . . . 7423 1 27 . . 1 1 32 32 LEU . . . . . 1 1 32 32 LEU . . . . 1.986 . . . . . . . . . . . . . . 7423 1 28 . . 1 1 33 33 GLY . . . . . 1 1 33 33 GLY . . . . 0.496 . . . . . . . . . . . . . . 7423 1 29 . . 1 1 34 34 THR . . . . . 1 1 34 34 THR . . . . 6.456 . . . . . . . . . . . . . . 7423 1 30 . . 1 1 36 36 MET . . . . . 1 1 36 36 MET . . . . 5.179 . . . . . . . . . . . . . . 7423 1 31 . . 1 1 37 37 ARG . . . . . 1 1 37 37 ARG . . . . 2.838 . . . . . . . . . . . . . . 7423 1 32 . . 1 1 38 38 SER . . . . . 1 1 38 38 SER . . . . 4.327 . . . . . . . . . . . . . . 7423 1 33 . . 1 1 39 39 LEU . . . . . 1 1 39 39 LEU . . . . 0.993 . . . . . . . . . . . . . . 7423 1 34 . . 1 1 40 40 GLY . . . . . 1 1 40 40 GLY . . . . -2.341 . . . . . . . . . . . . . . 7423 1 35 . . 1 1 42 42 ASN . . . . . 1 1 42 42 ASN . . . . -3.334 . . . . . . . . . . . . . . 7423 1 36 . . 1 1 44 44 THR . . . . . 1 1 44 44 THR . . . . -4.540 . . . . . . . . . . . . . . 7423 1 37 . . 1 1 45 45 GLU . . . . . 1 1 45 45 GLU . . . . -0.070 . . . . . . . . . . . . . . 7423 1 38 . . 1 1 46 46 ALA . . . . . 1 1 46 46 ALA . . . . 2.838 . . . . . . . . . . . . . . 7423 1 39 . . 1 1 47 47 GLU . . . . . 1 1 47 47 GLU . . . . 3.476 . . . . . . . . . . . . . . 7423 1 40 . . 1 1 49 49 GLN . . . . . 1 1 49 49 GLN . . . . 1.702 . . . . . . . . . . . . . . 7423 1 41 . . 1 1 50 50 ASP . . . . . 1 1 50 50 ASP . . . . 4.895 . . . . . . . . . . . . . . 7423 1 42 . . 1 1 51 51 MET . . . . . 1 1 51 51 MET . . . . 2.270 . . . . . . . . . . . . . . 7423 1 43 . . 1 1 52 52 ILE . . . . . 1 1 52 52 ILE . . . . -1.489 . . . . . . . . . . . . . . 7423 1 44 . . 1 1 53 53 ASN . . . . . 1 1 53 53 ASN . . . . 3.405 . . . . . . . . . . . . . . 7423 1 45 . . 1 1 54 54 GLU . . . . . 1 1 54 54 GLU . . . . 6.172 . . . . . . . . . . . . . . 7423 1 46 . . 1 1 69 69 LEU . . . . . 1 1 69 69 LEU . . . . 0.638 . . . . . . . . . . . . . . 7423 1 47 . . 1 1 70 70 THR . . . . . 1 1 70 70 THR . . . . 0.780 . . . . . . . . . . . . . . 7423 1 48 . . 1 1 71 71 MET . . . . . 1 1 71 71 MET . . . . -1.489 . . . . . . . . . . . . . . 7423 1 49 . . 1 1 73 73 ALA . . . . . 1 1 73 73 ALA . . . . 2.128 . . . . . . . . . . . . . . 7423 1 50 . . 1 1 74 74 ARG . . . . . 1 1 74 74 ARG . . . . -0.425 . . . . . . . . . . . . . . 7423 1 51 . . 1 1 75 75 LYS . . . . . 1 1 75 75 LYS . . . . -1.277 . . . . . . . . . . . . . . 7423 1 52 . . 1 1 76 76 MET . . . . . 1 1 76 76 MET . . . . 3.902 . . . . . . . . . . . . . . 7423 1 53 . . 1 1 77 77 LYS . . . . . 1 1 77 77 LYS . . . . 0.141 . . . . . . . . . . . . . . 7423 1 54 . . 1 1 79 79 THR . . . . . 1 1 79 79 THR . . . . -1.277 . . . . . . . . . . . . . . 7423 1 55 . . 1 1 82 82 GLU . . . . . 1 1 82 82 GLU . . . . -1.560 . . . . . . . . . . . . . . 7423 1 56 . . 1 1 83 83 GLU . . . . . 1 1 83 83 GLU . . . . 0.780 . . . . . . . . . . . . . . 7423 1 57 . . 1 1 84 84 GLU . . . . . 1 1 84 84 GLU . . . . 0.141 . . . . . . . . . . . . . . 7423 1 58 . . 1 1 85 85 ILE . . . . . 1 1 85 85 ILE . . . . -1.560 . . . . . . . . . . . . . . 7423 1 59 . . 1 1 87 87 GLU . . . . . 1 1 87 87 GLU . . . . -0.354 . . . . . . . . . . . . . . 7423 1 60 . . 1 1 88 88 ALA . . . . . 1 1 88 88 ALA . . . . -0.993 . . . . . . . . . . . . . . 7423 1 61 . . 1 1 89 89 PHE . . . . . 1 1 89 89 PHE . . . . -1.489 . . . . . . . . . . . . . . 7423 1 62 . . 1 1 90 90 ARG . . . . . 1 1 90 90 ARG . . . . 0.354 . . . . . . . . . . . . . . 7423 1 63 . . 1 1 91 91 VAL . . . . . 1 1 91 91 VAL . . . . -0.496 . . . . . . . . . . . . . . 7423 1 64 . . 1 1 93 93 ASP . . . . . 1 1 93 93 ASP . . . . 0.283 . . . . . . . . . . . . . . 7423 1 65 . . 1 1 94 94 LYS . . . . . 1 1 94 94 LYS . . . . -2.838 . . . . . . . . . . . . . . 7423 1 66 . . 1 1 95 95 ASP . . . . . 1 1 95 95 ASP . . . . -4.611 . . . . . . . . . . . . . . 7423 1 67 . . 1 1 96 96 GLY . . . . . 1 1 96 96 GLY . . . . 2.554 . . . . . . . . . . . . . . 7423 1 68 . . 1 1 97 97 ASN . . . . . 1 1 97 97 ASN . . . . -0.141 . . . . . . . . . . . . . . 7423 1 69 . . 1 1 98 98 GLY . . . . . 1 1 98 98 GLY . . . . 1.348 . . . . . . . . . . . . . . 7423 1 70 . . 1 1 99 99 TYR . . . . . 1 1 99 99 TYR . . . . -2.625 . . . . . . . . . . . . . . 7423 1 71 . . 1 1 100 100 ILE . . . . . 1 1 100 100 ILE . . . . -2.625 . . . . . . . . . . . . . . 7423 1 72 . . 1 1 101 101 SER . . . . . 1 1 101 101 SER . . . . -3.476 . . . . . . . . . . . . . . 7423 1 73 . . 1 1 102 102 ALA . . . . . 1 1 102 102 ALA . . . . 3.760 . . . . . . . . . . . . . . 7423 1 74 . . 1 1 104 104 GLU . . . . . 1 1 104 104 GLU . . . . 4.327 . . . . . . . . . . . . . . 7423 1 75 . . 1 1 105 105 LEU . . . . . 1 1 105 105 LEU . . . . 3.547 . . . . . . . . . . . . . . 7423 1 76 . . 1 1 106 106 ARG . . . . . 1 1 106 106 ARG . . . . 5.888 . . . . . . . . . . . . . . 7423 1 77 . . 1 1 108 108 VAL . . . . . 1 1 108 108 VAL . . . . 2.908 . . . . . . . . . . . . . . 7423 1 78 . . 1 1 109 109 MET . . . . . 1 1 109 109 MET . . . . 5.179 . . . . . . . . . . . . . . 7423 1 79 . . 1 1 110 110 THR . . . . . 1 1 110 110 THR . . . . 5.605 . . . . . . . . . . . . . . 7423 1 80 . . 1 1 111 111 ASN . . . . . 1 1 111 111 ASN . . . . 4.540 . . . . . . . . . . . . . . 7423 1 81 . . 1 1 113 113 GLY . . . . . 1 1 113 113 GLY . . . . 2.270 . . . . . . . . . . . . . . 7423 1 82 . . 1 1 114 114 GLU . . . . . 1 1 114 114 GLU . . . . 1.560 . . . . . . . . . . . . . . 7423 1 83 . . 1 1 115 115 LYS . . . . . 1 1 115 115 LYS . . . . 2.483 . . . . . . . . . . . . . . 7423 1 84 . . 1 1 116 116 LEU . . . . . 1 1 116 116 LEU . . . . -3.263 . . . . . . . . . . . . . . 7423 1 85 . . 1 1 117 117 THR . . . . . 1 1 117 117 THR . . . . -0.780 . . . . . . . . . . . . . . 7423 1 86 . . 1 1 118 118 ASP . . . . . 1 1 118 118 ASP . . . . -3.192 . . . . . . . . . . . . . . 7423 1 87 . . 1 1 119 119 GLU . . . . . 1 1 119 119 GLU . . . . -0.425 . . . . . . . . . . . . . . 7423 1 88 . . 1 1 121 121 VAL . . . . . 1 1 121 121 VAL . . . . -4.186 . . . . . . . . . . . . . . 7423 1 89 . . 1 1 124 124 MET . . . . . 1 1 124 124 MET . . . . -2.767 . . . . . . . . . . . . . . 7423 1 90 . . 1 1 126 126 ARG . . . . . 1 1 126 126 ARG . . . . -1.277 . . . . . . . . . . . . . . 7423 1 91 . . 1 1 127 127 GLU . . . . . 1 1 127 127 GLU . . . . -2.270 . . . . . . . . . . . . . . 7423 1 92 . . 1 1 128 128 ALA . . . . . 1 1 128 128 ALA . . . . -2.979 . . . . . . . . . . . . . . 7423 1 93 . . 1 1 129 129 ASP . . . . . 1 1 129 129 ASP . . . . -0.496 . . . . . . . . . . . . . . 7423 1 94 . . 1 1 130 130 ILE . . . . . 1 1 130 130 ILE . . . . -2.908 . . . . . . . . . . . . . . 7423 1 95 . . 1 1 131 131 ASP . . . . . 1 1 131 131 ASP . . . . -3.050 . . . . . . . . . . . . . . 7423 1 96 . . 1 1 132 132 GLY . . . . . 1 1 132 132 GLY . . . . 2.341 . . . . . . . . . . . . . . 7423 1 97 . . 1 1 133 133 ASP . . . . . 1 1 133 133 ASP . . . . 1.986 . . . . . . . . . . . . . . 7423 1 98 . . 1 1 134 134 GLY . . . . . 1 1 134 134 GLY . . . . -0.993 . . . . . . . . . . . . . . 7423 1 99 . . 1 1 135 135 GLN . . . . . 1 1 135 135 GLN . . . . -0.709 . . . . . . . . . . . . . . 7423 1 100 . . 1 1 136 136 VAL . . . . . 1 1 136 136 VAL . . . . -2.625 . . . . . . . . . . . . . . 7423 1 101 . . 1 1 137 137 ASN . . . . . 1 1 137 137 ASN . . . . -2.767 . . . . . . . . . . . . . . 7423 1 102 . . 1 1 138 138 TYR . . . . . 1 1 138 138 TYR . . . . 0.141 . . . . . . . . . . . . . . 7423 1 103 . . 1 1 139 139 GLU . . . . . 1 1 139 139 GLU . . . . 5.463 . . . . . . . . . . . . . . 7423 1 104 . . 1 1 140 140 GLU . . . . . 1 1 140 140 GLU . . . . 2.341 . . . . . . . . . . . . . . 7423 1 105 . . 1 1 141 141 PHE . . . . . 1 1 141 141 PHE . . . . 2.483 . . . . . . . . . . . . . . 7423 1 106 . . 1 1 142 142 VAL . . . . . 1 1 142 142 VAL . . . . 4.398 . . . . . . . . . . . . . . 7423 1 107 . . 1 1 146 146 THR . . . . . 1 1 146 146 THR . . . . 4.115 . . . . . . . . . . . . . . 7423 1 108 . . 1 1 147 147 ALA . . . . . 1 1 147 147 ALA . . . . 0.425 . . . . . . . . . . . . . . 7423 1 109 . . 1 1 148 148 LYS . . . . . 1 1 148 148 LYS . . . . 0.283 . . . . . . . . . . . . . . 7423 1 stop_ save_ ######################### # Other kinds of data # ######################### save_3CaYbCaM_DAPk_pcs _Other_data_type_list.Sf_category 'other_data_types' _Other_data_type_list.Sf_framecode 3CaYbCaM_DAPk_pcs _Other_data_type_list.Entry_ID 7423 _Other_data_type_list.ID 1 _Other_data_type_list.Name 'pseudocontact shifts' _Other_data_type_list.Definition 'pseudocontact shifts' _Other_data_type_list.Sample_condition_list_ID 1 _Other_data_type_list.Sample_condition_list_label $sample_conditions_1 _Other_data_type_list.Details 'pseudocontact shifts' _Other_data_type_list.Text_data_format Text _Other_data_type_list.Text_data ; Res Type Value 3 C -0.30 4 C -0.20 5 C 0.10 6 C -0.20 7 C -0.20 8 C -0.20 9 C -0.40 10 C -0.20 11 C -0.20 12 C -0.10 13 C -0.30 14 C 0.00 15 C 0.20 16 C 0.20 17 C 0.20 18 C 0.60 20 C 0.20 21 C 0.00 22 C -0.10 23 C -0.60 24 C -1.30 25 C -2.40 27 C 5.50 28 C 2.90 29 C 1.30 30 C 1.10 31 C 1.70 32 C 1.40 33 C 0.80 34 C 0.80 35 C 0.70 36 C 0.60 37 C 0.50 38 C 0.30 39 C 0.30 40 C 0.30 41 C 0.40 43 C 0.47 44 C 0.20 45 C 0.60 46 C 0.50 48 C 1.70 49 C 1.00 50 C 1.30 52 C 4.70 53 C 0.00 68 C -1.10 69 C -1.30 70 C -0.70 73 C -0.50 74 C 0.10 76 C 0.10 78 C 0.00 79 C 0.10 80 C 0.00 3 CB -0.20 4 CB -0.50 5 CB 0.00 6 CB -0.20 7 CB -0.20 8 CB -0.20 9 CB 0.00 10 CB -0.30 11 CB -0.20 12 CB -0.30 13 CB -0.60 14 CB 0.00 15 CB 0.00 16 CB 0.00 17 CB 0.00 18 CB 0.50 19 CB 1.30 20 CB 0.20 21 CB 0.40 22 CB 0.00 24 CB -0.70 26 CB -2.30 28 CB 2.00 29 CB 1.90 30 CB 0.60 31 CB 1.40 32 CB 2.30 34 CB 0.60 35 CB 1.10 36 CB 0.50 37 CB 0.40 38 CB 0.20 39 CB 0.00 41 CB 0.40 42 CB 0.20 43 CB 0.40 44 CB 0.40 45 CB 0.40 46 CB 0.20 47 CB 0.00 49 CB 0.60 50 CB 0.40 53 CB -0.50 54 CB 0.40 69 CB -1.10 73 CB -0.40 74 CB -0.20 75 CB 0.00 76 CB 0.00 77 CB 0.00 78 CB 0.00 79 CB 0.00 80 CB -0.10 3 CA -0.30 4 CA -0.30 5 CA -0.20 6 CA -0.10 7 CA -0.20 8 CA -0.20 9 CA -0.40 10 CA -0.30 11 CA -0.10 12 CA -0.10 13 CA -0.50 14 CA 0.00 15 CA 0.30 16 CA 0.30 17 CA 0.20 18 CA 0.50 19 CA 0.90 20 CA 0.50 21 CA 0.30 22 CA 0.00 23 CA -0.40 24 CA -0.80 25 CA -2.00 26 CA -1.50 27 CA 4.11 28 CA 3.20 29 CA 2.40 30 CA 1.10 31 CA 1.20 32 CA 2.00 33 CA 1.10 34 CA 0.60 35 CA 0.70 36 CA 0.50 37 CA 0.50 38 CA 0.30 39 CA 0.50 40 CA 0.20 41 CA 0.50 42 CA 0.40 43 CA 0.59 44 CA 0.50 45 CA 0.50 46 CA 0.50 47 CA 0.60 49 CA 1.00 50 CA 0.70 51 CA 2.10 52 CA 4.90 53 CA 0.30 54 CA 0.20 69 CA -1.20 70 CA -1.20 71 CA -0.40 73 CA -0.30 74 CA -0.20 75 CA 0.30 76 CA 0.30 77 CA 0.10 79 CA 0.20 80 CA 0.00 3 HN -0.276 4 HN -0.316 5 HN -0.226 6 HN 0.011 7 HN -0.172 8 HN -0.206 9 HN -0.321 10 HN -0.265 11 HN -0.197 12 HN -0.275 13 HN -0.346 14 HN -0.165 15 HN 0.004 16 HN -0.007 17 HN 0.039 18 HN 0.235 19 HN 0.564 20 HN 0.494 21 HN 0.529 22 HN 0.132 23 HN -0.105 24 HN -0.449 25 HN -0.909 26 HN -1.203 28 HN 2.453 29 HN 2.572 30 HN 1.349 31 HN 1.525 32 HN 2.109 33 HN 1.426 34 HN 0.926 35 HN 0.917 36 HN 0.941 37 HN 0.568 38 HN 0.481 39 HN 0.444 40 HN 0.352 41 HN 0.426 42 HN 0.386 44 HN 0.465 45 HN 0.173 46 HN 0.347 47 HN 0.486 49 HN 0.898 50 HN 0.749 51 HN 1.465 52 HN 3.220 53 HN 1.903 54 HN 1.375 69 HN -1.749 70 HN -1.897 71 HN -1.021 72 HN -0.013 73 HN -0.373 74 HN -0.313 75 HN 0.068 76 HN -0.032 77 HN -0.054 79 HN -0.016 79 HN -0.016 80 HN 0.091 81 HN 0.018 82 HN 0.018 83 HN 0.052 84 HN 0.101 85 HN 0.089 86 HN 0.084 87 HN 0.156 88 HN 0.162 89 HN 0.113 90 HN 0.133 91 HN 0.167 92 HN 0.132 93 HN 0.113 94 HN 0.127 95 HN 0.104 96 HN 0.099 97 HN 0.079 98 HN 0.072 99 HN 0.067 100 HN 0.066 101 HN 0.078 102 HN 0.055 103 HN 0.027 104 HN 0.080 105 HN 0.085 106 HN 0.078 108 HN 0.130 109 HN 0.114 110 HN 0.118 111 HN 0.169 112 HN 0.191 113 HN 0.168 114 HN 0.114 115 HN 0.037 116 HN 0.062 117 HN 0.027 118 HN 0.029 119 HN 0.019 120 HN -0.004 121 HN 0.030 122 HN 0.038 123 HN 0.030 124 HN 0.035 125 HN 0.014 126 HN 0.031 127 HN 0.033 128 HN 0.036 129 HN 0.030 130 HN 0.037 131 HN 0.029 132 HN 0.022 133 HN 0.003 134 HN 0.027 135 HN 0.039 136 HN 0.061 137 HN 0.047 138 HN 0.060 139 HN 0.048 140 HN 0.060 141 HN 0.066 142 HN 0.071 143 HN 0.028 144 HN 0.051 145 HN 0.043 146 HN 0.036 147 HN 0.011 148 HN 0.004 3 N -0.195 4 N -0.253 5 N -0.279 6 N -0.390 7 N -0.222 8 N -0.344 9 N -0.484 10 N -0.345 11 N -0.245 12 N -0.617 13 N -0.608 14 N -0.249 15 N -0.069 16 N -0.049 17 N 0.136 18 N 0.203 19 N 0.258 20 N 0.526 21 N 0.208 22 N -0.063 23 N -0.391 24 N -0.562 25 N -1.444 26 N -3.059 28 N 3.622 29 N 3.029 30 N 1.077 31 N 0.933 32 N 1.734 33 N 1.443 34 N 0.797 35 N 0.639 36 N 0.781 37 N 0.443 38 N 0.520 39 N 0.108 40 N 0.251 41 N 0.137 42 N 0.394 44 N 0.312 45 N 0.397 46 N 0.639 47 N 0.675 49 N 1.45 50 N 0.735 51 N 1.533 52 N 3.938 53 N 2.665 54 N 1.235 69 N -0.996 70 N -1.785 71 N -1.223 72 N -0.160 73 N -0.629 74 N 0.141 75 N 0.217 76 N -0.189 77 N -0.416 79 N 0.035 80 N 0.181 81 N -0.013 82 N -0.047 83 N 0.206 84 N 0.172 85 N -0.060 86 N -0.026 87 N -0.072 88 N 0.006 89 N 0.096 90 N 0.123 91 N 0.073 92 N 0.004 93 N 0.031 94 N -0.049 95 N -0.014 96 N 0.029 97 N -0.059 98 N -0.019 99 N -0.109 100 N 0.007 101 N -0.011 102 N 0.038 103 N 0.199 104 N 0.059 105 N 0.094 106 N 0.042 108 N -0.003 109 N 0.068 110 N -0.012 111 N 0.213 112 N 0.257 113 N 0.209 114 N 0.003 115 N -0.057 116 N 0.006 117 N -0.084 118 N -0.080 119 N 0.037 120 N 0.004 121 N -0.225 122 N -0.888 123 N 0.183 124 N -0.038 125 N -0.060 126 N -0.122 127 N -0.033 128 N -0.009 129 N 0.053 130 N -0.071 131 N -0.054 132 N -0.028 133 N -0.085 134 N -0.118 135 N -0.051 136 N -0.043 137 N -0.051 138 N -0.087 139 N -0.025 140 N -0.049 141 N 0.000 142 N 0.071 143 N -0.043 144 N 0.000 145 N -0.110 146 N -0.009 147 N -0.025 148 N -0.059 ; loop_ _Other_data_experiment.Experiment_ID _Other_data_experiment.Experiment_name _Other_data_experiment.Sample_ID _Other_data_experiment.Sample_label _Other_data_experiment.Sample_state _Other_data_experiment.Entry_ID _Other_data_experiment.Other_data_type_list_ID 1 '2D 1H-15N HSQC' . . . 7423 1 stop_ loop_ _Other_data_software.Software_ID _Other_data_software.Software_label _Other_data_software.Method_ID _Other_data_software.Method_label _Other_data_software.Entry_ID _Other_data_software.Other_data_type_list_ID 1 $TOPSPIN . . 7423 1 2 $CARA . . 7423 1 stop_ save_