data_19036 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 19036 _Entry.Title ; NMR structure of the complex of an N-terminally acetylated alpha-synuclein peptide with calmodulin ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2013-02-13 _Entry.Accession_date 2013-02-13 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 James Gruschus . M. . 19036 2 'Thai Leong' Yap . . . 19036 3 Sara Pistolesi . . . 19036 4 Alexander Maltsev . S. . 19036 5 Jennifer Lee . C. . 19036 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' . 19036 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID Ca-binding . 19036 Protein/peptide . 19036 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 19036 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 308 19036 '15N chemical shifts' 157 19036 '1H chemical shifts' 341 19036 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 . . 2013-12-09 2013-02-13 update BMRB 'update entry citation' 19036 1 . . 2013-05-06 2013-02-13 original author 'original release' 19036 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2M55 'BMRB Entry Tracking System' 19036 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 19036 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 23607618 _Citation.Full_citation . _Citation.Title 'NMR Structure of Calmodulin Complexed to an N-Terminally Acetylated -Synuclein Peptide.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Biochemistry _Citation.Journal_name_full Biochemistry _Citation.Journal_volume 52 _Citation.Journal_issue 20 _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 3436 _Citation.Page_last 3445 _Citation.Year 2013 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 James Gruschus . M. . 19036 1 2 'Thai Leong' Yap . . . 19036 1 3 Sara Pistolesi . . . 19036 1 4 Alexander Maltsev . S. . 19036 1 5 Jennifer Lee . C. . 19036 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 19036 _Assembly.ID 1 _Assembly.Name 'Calmodulin/a-syn peptide complex' _Assembly.BMRB_code . _Assembly.Number_of_components 7 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds yes _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 calmodulin 1 $calmodulin A . yes native no no . . . 19036 1 2 peptide 2 $peptide B . yes native no no . . . 19036 1 3 'ACETYL GROUP' 3 $entity_ACE C . yes native no no . . . 19036 1 4 'CALCIUM ION_1' 4 $entity_CA D . no native no no . . . 19036 1 5 'CALCIUM ION_2' 4 $entity_CA E . no native no no . . . 19036 1 6 'CALCIUM ION_3' 4 $entity_CA F . no native no no . . . 19036 1 7 'CALCIUM ION_4' 4 $entity_CA G . no native no no . . . 19036 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID yes PDB 2m55 . . 'solution NMR' . . . 19036 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_calmodulin _Entity.Sf_category entity _Entity.Sf_framecode calmodulin _Entity.Entry_ID 19036 _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 QNPTEAELQDMINEVDADGN GTIDFPEFLTMMARKMKDTD SEEEIREAFRVFDKDGNGYI SAAELRHVMTNLGEKLTDEE VDEMIREADIDGDGQVNYEE FVQMMTAK ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 148 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 16721.465 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no BMRB 15184 . calmodulin . . . . . 100.00 148 100.00 100.00 4.91e-100 . . . . 19036 1 2 no BMRB 15185 . calmodulin . . . . . 100.00 148 100.00 100.00 4.91e-100 . . . . 19036 1 3 no BMRB 15186 . calmodulin . . . . . 100.00 148 100.00 100.00 4.91e-100 . . . . 19036 1 4 no BMRB 15187 . calmodulin . . . . . 100.00 148 100.00 100.00 4.91e-100 . . . . 19036 1 5 no BMRB 15188 . calmodulin . . . . . 100.00 148 99.32 100.00 9.77e-100 . . . . 19036 1 6 no BMRB 15191 . Calmodulin . . . . . 100.00 148 100.00 100.00 4.91e-100 . . . . 19036 1 7 no BMRB 15470 . calmodulin . . . . . 100.00 148 99.32 100.00 2.01e-99 . . . . 19036 1 8 no BMRB 15624 . Calmodulin . . . . . 100.00 148 100.00 100.00 4.91e-100 . . . . 19036 1 9 no BMRB 15650 . calmodulin . . . . . 100.00 148 99.32 100.00 3.32e-99 . . . . 19036 1 10 no BMRB 15852 . calmodulin . . . . . 100.00 148 99.32 100.00 3.32e-99 . . . . 19036 1 11 no BMRB 1634 . calmodulin . . . . . 100.00 148 97.30 99.32 2.54e-97 . . . . 19036 1 12 no BMRB 16418 . apoCaM . . . . . 100.00 148 100.00 100.00 4.91e-100 . . . . 19036 1 13 no BMRB 16465 . entity_1 . . . . . 100.00 148 100.00 100.00 4.91e-100 . . . . 19036 1 14 no BMRB 1648 . calmodulin . . . . . 100.00 148 97.30 99.32 2.54e-97 . . . . 19036 1 15 no BMRB 16764 . CALMODULIN . . . . . 100.00 150 100.00 100.00 5.25e-100 . . . . 19036 1 16 no BMRB 17264 . calmodulin . . . . . 100.00 148 100.00 100.00 4.91e-100 . . . . 19036 1 17 no BMRB 17360 . entity_1 . . . . . 100.00 148 100.00 100.00 4.91e-100 . . . . 19036 1 18 no BMRB 17771 . Calmodulin . . . . . 100.00 148 100.00 100.00 4.91e-100 . . . . 19036 1 19 no BMRB 17807 . Calmodulin . . . . . 99.32 147 100.00 100.00 2.55e-99 . . . . 19036 1 20 no BMRB 18027 . CaM . . . . . 100.00 148 100.00 100.00 4.91e-100 . . . . 19036 1 21 no BMRB 18028 . CaM . . . . . 100.00 148 100.00 100.00 4.91e-100 . . . . 19036 1 22 no BMRB 18556 . Calmodulin . . . . . 100.00 148 98.65 99.32 2.65e-98 . . . . 19036 1 23 no BMRB 19238 . Calmodulin_prototypical_calcium_sensor . . . . . 100.00 148 100.00 100.00 4.91e-100 . . . . 19036 1 24 no BMRB 19586 . entity_1 . . . . . 100.00 148 100.00 100.00 4.91e-100 . . . . 19036 1 25 no BMRB 19604 . calmodulin . . . . . 100.00 148 100.00 100.00 4.91e-100 . . . . 19036 1 26 no BMRB 25253 . CaM . . . . . 100.00 148 98.65 99.32 1.22e-97 . . . . 19036 1 27 no BMRB 25257 . CaM . . . . . 100.00 148 98.65 99.32 1.22e-97 . . . . 19036 1 28 no BMRB 26503 . Calmodulin . . . . . 100.00 148 100.00 100.00 4.91e-100 . . . . 19036 1 29 no BMRB 26626 . CaM . . . . . 100.00 148 100.00 100.00 4.91e-100 . . . . 19036 1 30 no BMRB 26627 . CaM . . . . . 100.00 148 100.00 100.00 4.91e-100 . . . . 19036 1 31 no BMRB 4056 . calmodulin . . . . . 100.00 148 100.00 100.00 4.91e-100 . . . . 19036 1 32 no BMRB 4270 . calmodulin . . . . . 100.00 148 100.00 100.00 4.91e-100 . . . . 19036 1 33 no BMRB 4284 . Calmodulin . . . . . 100.00 148 100.00 100.00 4.91e-100 . . . . 19036 1 34 no BMRB 4310 . calmodulin . . . . . 100.00 148 100.00 100.00 4.91e-100 . . . . 19036 1 35 no PDB 1A29 . "Calmodulin Complexed With Trifluoperazine (1:2 Complex)" . . . . . 100.00 148 100.00 100.00 4.91e-100 . . . . 19036 1 36 no PDB 1CFC . "Calcium-Free Calmodulin" . . . . . 100.00 148 100.00 100.00 4.91e-100 . . . . 19036 1 37 no PDB 1CFD . "Calcium-Free Calmodulin" . . . . . 100.00 148 100.00 100.00 4.91e-100 . . . . 19036 1 38 no PDB 1CFF . "Nmr Solution Structure Of A Complex Of Calmodulin With A Binding Peptide Of The Ca2+-Pump" . . . . . 100.00 148 100.00 100.00 4.91e-100 . . . . 19036 1 39 no PDB 1CKK . "CalmodulinRAT CA2+CALMODULIN DEPENDENT PROTEIN KINASE Fragment" . . . . . 100.00 148 100.00 100.00 4.91e-100 . . . . 19036 1 40 no PDB 1CLL . "Calmodulin Structure Refined At 1.7 Angstroms Resolution" . . . . . 100.00 148 100.00 100.00 4.91e-100 . . . . 19036 1 41 no PDB 1CM1 . "Motions Of Calmodulin-Single-Conformer Refinement" . . . . . 100.00 148 100.00 100.00 4.91e-100 . . . . 19036 1 42 no PDB 1CM4 . "Motions Of Calmodulin-four-conformer Refinement" . . . . . 100.00 148 100.00 100.00 4.91e-100 . . . . 19036 1 43 no PDB 1CTR . "Drug Binding By Calmodulin: Crystal Structure Of A Calmodulin-Trifluoperazine Complex" . . . . . 100.00 148 100.00 100.00 4.91e-100 . . . . 19036 1 44 no PDB 1DMO . "Calmodulin, Nmr, 30 Structures" . . . . . 100.00 148 99.32 100.00 2.01e-99 . . . . 19036 1 45 no PDB 1G4Y . "1.60 A Crystal Structure Of The Gating Domain From Small Conductance Potassium Channel Complexed With Calcium-Calmodulin" . . . . . 100.00 148 100.00 100.00 4.91e-100 . . . . 19036 1 46 no PDB 1IQ5 . "CalmodulinNEMATODE CA2+CALMODULIN DEPENDENT KINASE KINASE Fragment" . . . . . 100.00 149 100.00 100.00 5.13e-100 . . . . 19036 1 47 no PDB 1IWQ . "Crystal Structure Of Marcks Calmodulin Binding Domain Peptide Complexed With Ca2+CALMODULIN" . . . . . 100.00 148 100.00 100.00 4.91e-100 . . . . 19036 1 48 no PDB 1K90 . "Crystal Structure Of The Adenylyl Cyclase Domain Of Anthrax Edema Factor (Ef) In Complex With Calmodulin And 3' Deoxy-Atp" . . . . . 100.00 148 100.00 100.00 4.91e-100 . . . . 19036 1 49 no PDB 1K93 . "Crystal Structure Of The Adenylyl Cyclase Domain Of Anthrax Edema Factor (Ef) In Complex With Calmodulin" . . . . . 97.30 144 100.00 100.00 4.42e-97 . . . . 19036 1 50 no PDB 1L7Z . "Crystal Structure Of Ca2+/calmodulin Complexed With Myristoylated Cap-23/nap-22 Peptide" . . . . . 100.00 148 100.00 100.00 4.91e-100 . . . . 19036 1 51 no PDB 1LIN . "Calmodulin Complexed With Trifluoperazine (1:4 Complex)" . . . . . 100.00 148 100.00 100.00 4.91e-100 . . . . 19036 1 52 no PDB 1LVC . "Crystal Structure Of The Adenylyl Cyclase Domain Of Anthrax Edema Factor (Ef) In Complex With Calmodulin And 2' Deoxy, 3' Anthr" . . . . . 100.00 149 100.00 100.00 5.13e-100 . . . . 19036 1 53 no PDB 1MUX . "Solution Nmr Structure Of CalmodulinW-7 Complex: The Basis Of Diversity In Molecular Recognition, 30 Structures" . . . . . 100.00 148 100.00 100.00 4.91e-100 . . . . 19036 1 54 no PDB 1MXE . "Structure Of The Complex Of Calmodulin With The Target Sequence Of Camki" . . . . . 100.00 148 97.97 99.32 6.77e-98 . . . . 19036 1 55 no PDB 1NWD . "Solution Structure Of Ca2+CALMODULIN BOUND TO THE C- Terminal Domain Of Petunia Glutamate Decarboxylase" . . . . . 100.00 148 100.00 100.00 4.91e-100 . . . . 19036 1 56 no PDB 1OOJ . "Structural Genomics Of Caenorhabditis Elegans : Calmodulin" . . . . . 100.00 149 97.97 98.65 1.28e-97 . . . . 19036 1 57 no PDB 1PRW . "Crystal Structure Of Bovine Brain Ca++ Calmodulin In A Compact Form" . . . . . 100.00 149 99.32 99.32 4.27e-99 . . . . 19036 1 58 no PDB 1QIV . "Calmodulin Complexed With N-(3,3,-Diphenylpropyl)-N'-[1-R-( 3,4-Bis-Butoxyphenyl)-Ethyl]-Propylenediamine (Dpd), 1:2 Complex" . . . . . 100.00 148 100.00 100.00 4.91e-100 . . . . 19036 1 59 no PDB 1QIW . "Calmodulin Complexed With N-(3,3,-Diphenylpropyl)-N'-[1-R-( 3,4-Bis-Butoxyphenyl)-Ethyl]-Propylenediamine (Dpd)" . . . . . 100.00 148 100.00 100.00 4.91e-100 . . . . 19036 1 60 no PDB 1QX5 . "Crystal Structure Of Apocalmodulin" . . . . . 100.00 148 100.00 100.00 4.91e-100 . . . . 19036 1 61 no PDB 1S26 . "Structure Of Anthrax Edema Factor-calmodulin-alpha,beta- Methyleneadenosine 5'-triphosphate Complex Reveals An Alternative Mode" . . . . . 100.00 148 100.00 100.00 4.91e-100 . . . . 19036 1 62 no PDB 1SK6 . "Crystal Structure Of The Adenylyl Cyclase Domain Of Anthrax Edema Factor (Ef) In Complex With Calmodulin, 3',5' Cyclic Amp (Cam" . . . . . 100.00 148 100.00 100.00 4.91e-100 . . . . 19036 1 63 no PDB 1SY9 . "Structure Of Calmodulin Complexed With A Fragment Of The Olfactory Cng Channel" . . . . . 100.00 148 100.00 100.00 4.91e-100 . . . . 19036 1 64 no PDB 1UP5 . "Chicken Calmodulin" . . . . . 100.00 148 99.32 99.32 4.13e-99 . . . . 19036 1 65 no PDB 1WRZ . "Calmodulin Complexed With A Peptide From A Human Death-Associated Protein Kinase" . . . . . 100.00 149 100.00 100.00 5.13e-100 . . . . 19036 1 66 no PDB 1X02 . "Solution Structure Of Stereo Array Isotope Labeled (Sail) Calmodulin" . . . . . 100.00 148 100.00 100.00 4.91e-100 . . . . 19036 1 67 no PDB 1XA5 . "Structure Of Calmodulin In Complex With Kar-2, A Bis-Indol Alkaloid" . . . . . 100.00 148 100.00 100.00 4.91e-100 . . . . 19036 1 68 no PDB 1XFU . "Crystal Structure Of Anthrax Edema Factor (ef) Truncation Mutant, Ef-delta 64 In Complex With Calmodulin" . . . . . 100.00 149 99.32 100.00 1.22e-99 . . . . 19036 1 69 no PDB 1XFV . "Crystal Structure Of Anthrax Edema Factor (Ef) In Complex With Calmodulin And 3' Deoxy-Atp" . . . . . 100.00 149 99.32 100.00 1.22e-99 . . . . 19036 1 70 no PDB 1XFW . "Crystal Structure Of Anthrax Edema Factor (Ef) In Complex With Calmodulin And 3'5' Cyclic Amp (Camp)" . . . . . 100.00 149 99.32 100.00 1.22e-99 . . . . 19036 1 71 no PDB 1XFY . "Crystal Structure Of Anthrax Edema Factor (Ef) In Complex With Calmodulin" . . . . . 100.00 149 99.32 100.00 1.22e-99 . . . . 19036 1 72 no PDB 1XFZ . "Crystal Structure Of Anthrax Edema Factor (ef) In Complex With Calmodulin In The Presence Of 1 Millimolar Exogenously Added Cal" . . . . . 100.00 149 99.32 100.00 1.22e-99 . . . . 19036 1 73 no PDB 1Y0V . "Crystal Structure Of Anthrax Edema Factor (Ef) In Complex With Calmodulin And Pyrophosphate" . . . . . 97.30 146 100.00 100.00 3.80e-97 . . . . 19036 1 74 no PDB 1YR5 . "1.7-A Structure Of Calmodulin Bound To A Peptide From Dap Kinase" . . . . . 100.00 148 100.00 100.00 4.91e-100 . . . . 19036 1 75 no PDB 2BBM . "Solution Structure Of A Calmodulin-Target Peptide Complex By Multidimensional Nmr" . . . . . 100.00 148 97.97 99.32 6.77e-98 . . . . 19036 1 76 no PDB 2BBN . "Solution Structure Of A Calmodulin-Target Peptide Complex By Multidimensional Nmr" . . . . . 100.00 148 97.97 99.32 6.77e-98 . . . . 19036 1 77 no PDB 2BCX . "Crystal Structure Of Calmodulin In Complex With A Ryanodine Receptor Peptide" . . . . . 100.00 148 100.00 100.00 4.91e-100 . . . . 19036 1 78 no PDB 2BKH . "Myosin Vi Nucleotide-Free (Mdinsert2) Crystal Structure" . . . . . 100.00 149 97.97 99.32 5.16e-98 . . . . 19036 1 79 no PDB 2BKI . "Myosin Vi Nucleotide-free (mdinsert2-iq) Crystal Structure" . . . . . 100.00 149 100.00 100.00 5.13e-100 . . . . 19036 1 80 no PDB 2DFS . "3-D Structure Of Myosin-V Inhibited State" . . . . . 100.00 148 100.00 100.00 4.91e-100 . . . . 19036 1 81 no PDB 2F2O . "Structure Of Calmodulin Bound To A Calcineurin Peptide: A New Way Of Making An Old Binding Mode" . . . . . 100.00 179 100.00 100.00 7.91e-100 . . . . 19036 1 82 no PDB 2F2P . "Structure Of Calmodulin Bound To A Calcineurin Peptide: A New Way Of Making An Old Binding Mode" . . . . . 100.00 179 100.00 100.00 7.91e-100 . . . . 19036 1 83 no PDB 2F3Y . "CalmodulinIQ DOMAIN COMPLEX" . . . . . 100.00 148 100.00 100.00 4.91e-100 . . . . 19036 1 84 no PDB 2F3Z . "CalmodulinIQ-Aa Domain Complex" . . . . . 100.00 148 100.00 100.00 4.91e-100 . . . . 19036 1 85 no PDB 2FOT . "Crystal Structure Of The Complex Between Calmodulin And Alphaii-Spectrin" . . . . . 100.00 148 100.00 100.00 4.91e-100 . . . . 19036 1 86 no PDB 2HQW . "Crystal Structure Of Ca2+CALMODULIN BOUND TO NMDA RECEPTOR NR1C1 Peptide" . . . . . 100.00 148 100.00 100.00 4.91e-100 . . . . 19036 1 87 no PDB 2JZI . "Structure Of Calmodulin Complexed With The Calmodulin Binding Domain Of Calcineurin" . . . . . 100.00 148 100.00 100.00 4.91e-100 . . . . 19036 1 88 no PDB 2K0E . "A Coupled Equilibrium Shift Mechanism In Calmodulin- Mediated Signal Transduction" . . . . . 100.00 148 100.00 100.00 4.91e-100 . . . . 19036 1 89 no PDB 2K0F . "Calmodulin Complexed With Calmodulin-Binding Peptide From Smooth Muscle Myosin Light Chain Kinase" . . . . . 100.00 148 100.00 100.00 4.91e-100 . . . . 19036 1 90 no PDB 2K0J . "Solution Structure Of Cam Complexed To Drp1p" . . . . . 100.00 148 99.32 100.00 3.32e-99 . . . . 19036 1 91 no PDB 2K61 . "Solution Structure Of Cam Complexed To Dapk Peptide" . . . . . 100.00 148 99.32 100.00 3.32e-99 . . . . 19036 1 92 no PDB 2KDU . "Structural Basis Of The Munc13-1CA2+-Calmodulin Interaction: A Novel 1-26 Calmodulin Binding Motif With A Bipartite Binding Mod" . . . . . 100.00 148 100.00 100.00 4.91e-100 . . . . 19036 1 93 no PDB 2KNE . "Calmodulin Wraps Around Its Binding Domain In The Plasma Membrane Ca2+ Pump Anchored By A Novel 18-1 Motif" . . . . . 100.00 148 100.00 100.00 4.91e-100 . . . . 19036 1 94 no PDB 2L53 . "Solution Nmr Structure Of Apo-Calmodulin In Complex With The Iq Motif Of Human Cardiac Sodium Channel Nav1.5" . . . . . 100.00 148 100.00 100.00 4.91e-100 . . . . 19036 1 95 no PDB 2L7L . "Solution Structure Of Ca2+CALMODULIN COMPLEXED WITH A PEPTIDE Representing The Calmodulin-Binding Domain Of Calmodulin Kinase I" . . . . . 100.00 148 100.00 100.00 4.91e-100 . . . . 19036 1 96 no PDB 2LGF . "Solution Structure Of Ca2+CALMODULIN COMPLEXED WITH A PEPTIDE Representing The Calmodulin-Binding Domain Of L-Selectin" . . . . . 98.65 146 100.00 100.00 1.07e-98 . . . . 19036 1 97 no PDB 2LL6 . "Solution Nmr Structure Of Cam Bound To Inos Cam Binding Domain Peptide" . . . . . 100.00 148 100.00 100.00 4.91e-100 . . . . 19036 1 98 no PDB 2LL7 . "Solution Nmr Structure Of Cam Bound To The Enos Cam Binding Domain Peptide" . . . . . 100.00 148 100.00 100.00 4.91e-100 . . . . 19036 1 99 no PDB 2LV6 . "The Complex Between Ca-calmodulin And Skeletal Muscle Myosin Light Chain Kinase From Combination Of Nmr And Aqueous And Contras" . . . . . 100.00 148 98.65 99.32 2.65e-98 . . . . 19036 1 100 no PDB 2M0J . "3d Structure Of Calmodulin And Calmodulin Binding Domain Of Olfactory Cyclic Nucleotide-gated Ion Channel Complex" . . . . . 100.00 148 100.00 100.00 4.91e-100 . . . . 19036 1 101 no PDB 2M0K . "3d Structure Of Calmodulin And Calmodulin Binding Domain Of Rat Olfactory Cyclic Nucleotide-gated Ion Channel" . . . . . 100.00 148 100.00 100.00 4.91e-100 . . . . 19036 1 102 no PDB 2M55 . "Nmr Structure Of The Complex Of An N-terminally Acetylated Alpha- Synuclein Peptide With Calmodulin" . . . . . 100.00 148 100.00 100.00 4.91e-100 . . . . 19036 1 103 no PDB 2MG5 . "Solution Structure Of Calmodulin Bound To The Target Peptide Of Endothelial Nitrogen Oxide Synthase Phosphorylated At Thr495" . . . . . 100.00 148 100.00 100.00 4.91e-100 . . . . 19036 1 104 no PDB 2MGU . "Structure Of The Complex Between Calmodulin And The Binding Domain Of Hiv-1 Matrix Protein" . . . . . 100.00 148 100.00 100.00 4.91e-100 . . . . 19036 1 105 no PDB 2O5G . "Calmodulin-Smooth Muscle Light Chain Kinase Peptide Complex" . . . . . 100.00 148 100.00 100.00 4.91e-100 . . . . 19036 1 106 no PDB 2O60 . "Calmodulin Bound To Peptide From Neuronal Nitric Oxide Synthase" . . . . . 100.00 148 100.00 100.00 4.91e-100 . . . . 19036 1 107 no PDB 2R28 . "The Complex Structure Of Calmodulin Bound To A Calcineurin Peptide" . . . . . 100.00 149 100.00 100.00 5.13e-100 . . . . 19036 1 108 no PDB 2V01 . "Recombinant Vertebrate Calmodulin Complexed With Pb" . . . . . 100.00 149 100.00 100.00 5.13e-100 . . . . 19036 1 109 no PDB 2V02 . "Recombinant Vertebrate Calmodulin Complexed With Ba" . . . . . 100.00 149 100.00 100.00 5.13e-100 . . . . 19036 1 110 no PDB 2VAS . "Myosin Vi (Md-Insert2-Cam, Delta-Insert1) Post-Rigor State" . . . . . 100.00 149 97.97 99.32 5.16e-98 . . . . 19036 1 111 no PDB 2VAY . "Calmodulin Complexed With Cav1.1 Iq Peptide" . . . . . 98.65 146 100.00 100.00 1.07e-98 . . . . 19036 1 112 no PDB 2VB6 . "Myosin Vi (Md-Insert2-Cam, Delta Insert1) Post-Rigor State ( Crystal Form 2)" . . . . . 100.00 149 97.30 99.32 1.25e-97 . . . . 19036 1 113 no PDB 2W73 . "High-Resolution Structure Of The Complex Between Calmodulin And A Peptide From Calcineurin A" . . . . . 100.00 149 100.00 100.00 5.13e-100 . . . . 19036 1 114 no PDB 2WEL . "Crystal Structure Of Su6656-Bound CalciumCALMODULIN- Dependent Protein Kinase Ii Delta In Complex With Calmodulin" . . . . . 100.00 150 100.00 100.00 4.76e-100 . . . . 19036 1 115 no PDB 2X0G . "X-ray Structure Of A Dap-kinase Calmodulin Complex" . . . . . 100.00 148 100.00 100.00 4.91e-100 . . . . 19036 1 116 no PDB 2X51 . "M6 Delta Insert1" . . . . . 100.00 149 97.97 99.32 5.16e-98 . . . . 19036 1 117 no PDB 2Y4V . "Crystal Structure Of Human Calmodulin In Complex With A Dap Kinase-1 Mutant (W305y) Peptide" . . . . . 100.00 149 100.00 100.00 5.13e-100 . . . . 19036 1 118 no PDB 2YGG . "Complex Of Cambr And Cam" . . . . . 100.00 150 100.00 100.00 5.60e-100 . . . . 19036 1 119 no PDB 3BXK . "Crystal Structure Of The PQ-Type Calcium Channel (Cav2.1) Iq Domain And Ca2+calmodulin Complex" . . . . . 100.00 148 100.00 100.00 4.91e-100 . . . . 19036 1 120 no PDB 3BXL . "Crystal Structure Of The R-Type Calcium Channel (Cav2.3) Iq Domain And Ca2+calmodulin Complex" . . . . . 100.00 148 100.00 100.00 4.91e-100 . . . . 19036 1 121 no PDB 3BYA . "Structure Of A Calmodulin Complex" . . . . . 100.00 148 100.00 100.00 4.91e-100 . . . . 19036 1 122 no PDB 3CLN . "Structure Of Calmodulin Refined At 2.2 Angstroms Resolution" . . . . . 100.00 148 99.32 100.00 2.01e-99 . . . . 19036 1 123 no PDB 3DVE . "Crystal Structure Of Ca2+CAM-Cav2.2 Iq Domain Complex" . . . . . 100.00 148 100.00 100.00 4.91e-100 . . . . 19036 1 124 no PDB 3DVJ . "Crystal Structure Of Ca2+CAM-Cav2.2 Iq Domain (Without Cloning Artifact, Hm To Tv) Complex" . . . . . 100.00 148 100.00 100.00 4.91e-100 . . . . 19036 1 125 no PDB 3DVK . "Crystal Structure Of Ca2+CAM-Cav2.3 Iq Domain Complex" . . . . . 100.00 148 100.00 100.00 4.91e-100 . . . . 19036 1 126 no PDB 3DVM . "Crystal Structure Of Ca2+CAM-Cav2.1 Iq Domain Complex" . . . . . 100.00 148 100.00 100.00 4.91e-100 . . . . 19036 1 127 no PDB 3EK4 . "Calcium-saturated Gcamp2 Monomer" . . . . . 99.32 449 100.00 100.00 9.40e-96 . . . . 19036 1 128 no PDB 3EK7 . "Calcium-Saturated Gcamp2 Dimer" . . . . . 99.32 449 100.00 100.00 9.40e-96 . . . . 19036 1 129 no PDB 3EK8 . "Calcium-Saturated Gcamp2 T116vG87R MUTANT MONOMER" . . . . . 99.32 449 100.00 100.00 1.33e-95 . . . . 19036 1 130 no PDB 3EKH . "Calcium-Saturated Gcamp2 T116vK378W MUTANT MONOMER" . . . . . 99.32 449 99.32 99.32 9.09e-95 . . . . 19036 1 131 no PDB 3EVU . "Crystal Structure Of Calcium Bound Dimeric Gcamp2, (#1)" . . . . . 99.32 449 100.00 100.00 9.40e-96 . . . . 19036 1 132 no PDB 3EVV . "Crystal Structure Of Calcium Bound Dimeric Gcamp2 (#2)" . . . . . 99.32 449 100.00 100.00 9.40e-96 . . . . 19036 1 133 no PDB 3EWT . "Crystal Structure Of Calmodulin Complexed With A Peptide" . . . . . 100.00 154 100.00 100.00 2.06e-100 . . . . 19036 1 134 no PDB 3EWV . "Crystal Structure Of Calmodulin Complexed With A Peptide" . . . . . 100.00 154 100.00 100.00 2.06e-100 . . . . 19036 1 135 no PDB 3G43 . "Crystal Structure Of The Calmodulin-Bound Cav1.2 C-Terminal Regulatory Domain Dimer" . . . . . 100.00 148 100.00 100.00 4.91e-100 . . . . 19036 1 136 no PDB 3GN4 . "Myosin Lever Arm" . . . . . 100.00 149 97.97 99.32 5.16e-98 . . . . 19036 1 137 no PDB 3GOF . "Calmodulin Bound To Peptide From Macrophage Nitric Oxide Synthase" . . . . . 100.00 148 100.00 100.00 4.91e-100 . . . . 19036 1 138 no PDB 3HR4 . "Human Inos Reductase And Calmodulin Complex" . . . . . 100.00 149 100.00 100.00 5.13e-100 . . . . 19036 1 139 no PDB 3IF7 . "Structure Of Calmodulin Complexed With Its First Endogenous Inhibitor, Sphingosylphosphorylcholine" . . . . . 100.00 148 100.00 100.00 4.91e-100 . . . . 19036 1 140 no PDB 3J41 . "Pseudo-atomic Model Of The Aquaporin-0/calmodulin Complex Derived From Electron Microscopy" . . . . . 100.00 149 100.00 100.00 5.13e-100 . . . . 19036 1 141 no PDB 3L9I . "Myosin Vi Nucleotide-Free (Mdinsert2) L310g Mutant Crystal Structure" . . . . . 100.00 149 97.97 99.32 5.16e-98 . . . . 19036 1 142 no PDB 3O77 . "The Structure Of Ca2+ Sensor (Case-16)" . . . . . 99.32 415 100.00 100.00 4.22e-96 . . . . 19036 1 143 no PDB 3O78 . "The Structure Of Ca2+ Sensor (Case-12)" . . . . . 99.32 415 100.00 100.00 4.65e-96 . . . . 19036 1 144 no PDB 3OXQ . "Crystal Structure Of Ca2+CAM-Cav1.2 Pre-IqIQ DOMAIN COMPLEX" . . . . . 100.00 149 100.00 100.00 5.13e-100 . . . . 19036 1 145 no PDB 3SG2 . "Crystal Structure Of Gcamp2-t116v,d381y" . . . . . 99.32 449 99.32 99.32 1.34e-94 . . . . 19036 1 146 no PDB 3SG3 . "Crystal Structure Of Gcamp3-d380y" . . . . . 99.32 449 98.64 99.32 1.70e-93 . . . . 19036 1 147 no PDB 3SG4 . "Crystal Structure Of Gcamp3-d380y, Lp(linker 2)" . . . . . 100.00 448 97.97 98.65 1.17e-93 . . . . 19036 1 148 no PDB 3SG5 . "Crystal Structure Of Dimeric Gcamp3-d380y, Qp(linker 1), Lp(linker 2)" . . . . . 100.00 448 97.97 98.65 9.63e-94 . . . . 19036 1 149 no PDB 3SG6 . "Crystal Structure Of Dimeric Gcamp2-lia(linker 1)" . . . . . 99.32 450 100.00 100.00 1.20e-95 . . . . 19036 1 150 no PDB 3SG7 . "Crystal Structure Of Gcamp3-kf(linker 1)" . . . . . 99.32 448 99.32 100.00 8.02e-95 . . . . 19036 1 151 no PDB 3SJQ . "Crystal Structure Of A Small Conductance Potassium Channel Splice Variant Complexed With Calcium-Calmodulin" . . . . . 100.00 149 100.00 100.00 5.13e-100 . . . . 19036 1 152 no PDB 3SUI . "Crystal Structure Of Ca2+-Calmodulin In Complex With A Trpv1 C- Terminal Peptide" . . . . . 100.00 149 100.00 100.00 5.13e-100 . . . . 19036 1 153 no PDB 3U0K . "Crystal Structure Of The Genetically Encoded Calcium Indicator Rcamp" . . . . . 99.32 440 98.64 99.32 2.87e-94 . . . . 19036 1 154 no PDB 3WFN . "Crystal Structure Of Nav1.6 Iq Motif In Complex With Apo-cam" . . . . . 100.00 182 100.00 100.00 5.91e-100 . . . . 19036 1 155 no PDB 4ANJ . "Myosin Vi (Mdinsert2-Gfp Fusion) Pre-Powerstroke State (Mg.Adp.Alf4)" . . . . . 100.00 149 97.97 99.32 5.16e-98 . . . . 19036 1 156 no PDB 4BW7 . "Calmodulin In Complex With Strontium" . . . . . 100.00 149 100.00 100.00 5.13e-100 . . . . 19036 1 157 no PDB 4BW8 . "Calmodulin With Small Bend In Central Helix" . . . . . 100.00 149 100.00 100.00 5.13e-100 . . . . 19036 1 158 no PDB 4BYF . "Crystal Structure Of Human Myosin 1c In Complex With Calmodulin In The Pre-power Stroke State" . . . . . 100.00 149 100.00 100.00 5.13e-100 . . . . 19036 1 159 no PDB 4CLN . "Structure Of A Recombinant Calmodulin From Drosophila Melanogaster Refined At 2.2-Angstroms Resolution" . . . . . 100.00 148 97.97 99.32 6.77e-98 . . . . 19036 1 160 no PDB 4DBP . "Myosin Vi Nucleotide-free (mdinsert2) D179y Crystal Structure" . . . . . 100.00 149 97.97 99.32 5.16e-98 . . . . 19036 1 161 no PDB 4DBQ . "Myosin Vi D179y (md-insert2-cam, Delta-insert1) Post-rigor State" . . . . . 100.00 149 97.97 99.32 5.16e-98 . . . . 19036 1 162 no PDB 4DCK . "Crystal Structure Of The C-Terminus Of Voltage-Gated Sodium Channel In Complex With Fgf13 And Cam" . . . . . 100.00 149 100.00 100.00 5.13e-100 . . . . 19036 1 163 no PDB 4DJC . "1.35 A Crystal Structure Of The Nav1.5 Diii-Iv-CaCAM COMPLEX" . . . . . 100.00 152 100.00 100.00 3.59e-100 . . . . 19036 1 164 no PDB 4E50 . "Calmodulin And Ng Peptide Complex" . . . . . 100.00 185 100.00 100.00 2.67e-100 . . . . 19036 1 165 no PDB 4EHQ . "Crystal Structure Of Calmodulin Binding Domain Of Orai1 In Complex With Ca2+CALMODULIN DISPLAYS A UNIQUE BINDING MODE" . . . . . 100.00 148 100.00 100.00 4.91e-100 . . . . 19036 1 166 no PDB 4G27 . "Calcium-Calmodulin Complexed With The Calmodulin Binding Domain From A Small Conductance Potassium Channel Splice Variant And P" . . . . . 100.00 149 100.00 100.00 5.13e-100 . . . . 19036 1 167 no PDB 4G28 . "Calcium-Calmodulin Complexed With The Calmodulin Binding Domain From A Small Conductance Potassium Channel Splice Variant And E" . . . . . 100.00 149 100.00 100.00 5.13e-100 . . . . 19036 1 168 no PDB 4HEX . "A Novel Conformation Of Calmodulin" . . . . . 100.00 156 100.00 100.00 2.20e-100 . . . . 19036 1 169 no PDB 4IK1 . "High Resolution Structure Of Gcampj At Ph 8.5" . . . . . 99.32 448 98.64 99.32 1.47e-93 . . . . 19036 1 170 no PDB 4IK3 . "High Resolution Structure Of Gcamp3 At Ph 8.5" . . . . . 99.32 448 99.32 100.00 9.53e-95 . . . . 19036 1 171 no PDB 4IK4 . "High Resolution Structure Of Gcamp3 At Ph 5.0" . . . . . 99.32 448 99.32 100.00 9.53e-95 . . . . 19036 1 172 no PDB 4IK5 . "High Resolution Structure Of Delta-rest-gcamp3" . . . . . 99.32 414 99.32 100.00 3.73e-95 . . . . 19036 1 173 no PDB 4IK8 . "High Resolution Structure Of Gcamp3 Dimer Form 1 At Ph 7.5" . . . . . 99.32 448 99.32 100.00 9.53e-95 . . . . 19036 1 174 no PDB 4IK9 . "High Resolution Structure Of Gcamp3 Dimer Form 2 At Ph 7.5" . . . . . 99.32 448 99.32 100.00 9.53e-95 . . . . 19036 1 175 no PDB 4J9Y . "Calcium-calmodulin Complexed With The Calmodulin Binding Domain From A Small Conductance Potassium Channel Splice Variant" . . . . . 100.00 149 100.00 100.00 5.13e-100 . . . . 19036 1 176 no PDB 4J9Z . "Calcium-calmodulin Complexed With The Calmodulin Binding Domain From A Small Conductance Potassium Channel Splice Variant And N" . . . . . 100.00 149 100.00 100.00 5.13e-100 . . . . 19036 1 177 no PDB 4JPZ . "Voltage-gated Sodium Channel 1.2 C-terminal Domain In Complex With Fgf13u And Ca2+/calmodulin" . . . . . 100.00 149 100.00 100.00 5.13e-100 . . . . 19036 1 178 no PDB 4JQ0 . "Voltage-gated Sodium Channel 1.5 C-terminal Domain In Complex With Fgf12b And Ca2+/calmodulin" . . . . . 100.00 149 100.00 100.00 5.13e-100 . . . . 19036 1 179 no PDB 4L79 . "Crystal Structure Of Nucleotide-free Myosin 1b Residues 1-728 With Bound Calmodulin" . . . . . 100.00 149 100.00 100.00 5.13e-100 . . . . 19036 1 180 no PDB 4LZX . "Complex Of Iqcg And Ca2+-free Cam" . . . . . 100.00 148 100.00 100.00 4.91e-100 . . . . 19036 1 181 no PDB 4M1L . "Complex Of Iqcg And Ca2+-bound Cam" . . . . . 100.00 148 100.00 100.00 4.91e-100 . . . . 19036 1 182 no PDB 4PJJ . "Myosin Vi (md-insert2-cam, Delta-insert1) Post-rigor State - Long Soaking With Po4" . . . . . 100.00 149 97.30 99.32 1.25e-97 . . . . 19036 1 183 no PDB 4Q5U . "Structure Of Calmodulin Bound To Its Recognition Site From Calcineurin" . . . . . 100.00 149 100.00 100.00 5.13e-100 . . . . 19036 1 184 no PDB 4QNH . "Calcium-calmodulin (t79d) Complexed With The Calmodulin Binding Domain From A Small Conductance Potassium Channel Sk2-a" . . . . . 100.00 149 99.32 99.32 6.26e-99 . . . . 19036 1 185 no PDB 4R8G . "Crystal Structure Of Myosin-1c Tail In Complex With Calmodulin" . . . . . 100.00 148 100.00 100.00 4.91e-100 . . . . 19036 1 186 no PDB 4UMO . "Crystal Structure Of The Kv7.1 Proximal C-terminal Domain In Complex With Calmodulin" . . . . . 100.00 149 100.00 100.00 5.13e-100 . . . . 19036 1 187 no PDB 4UPU . "Crystal Structure Of Ip3 3-k Calmodulin Binding Region In Complex With Calmodulin" . . . . . 100.00 148 100.00 100.00 4.91e-100 . . . . 19036 1 188 no PDB 4V0C . "Crystal Structure Of The Kv7.1 Proximal C-terminal Domain In Complex With Calmodulin" . . . . . 100.00 149 100.00 100.00 5.13e-100 . . . . 19036 1 189 no DBJ BAA08302 . "calmodulin [Homo sapiens]" . . . . . 100.00 149 100.00 100.00 5.13e-100 . . . . 19036 1 190 no DBJ BAA11896 . "calmodulin [Anas platyrhynchos]" . . . . . 100.00 149 100.00 100.00 5.13e-100 . . . . 19036 1 191 no DBJ BAA19786 . "calmodulin [Branchiostoma lanceolatum]" . . . . . 100.00 149 97.97 99.32 5.16e-98 . . . . 19036 1 192 no DBJ BAA19787 . "calmodulin [Branchiostoma floridae]" . . . . . 100.00 149 97.97 99.32 5.16e-98 . . . . 19036 1 193 no DBJ BAA19788 . "calmodulin [Halocynthia roretzi]" . . . . . 100.00 149 97.97 99.32 5.16e-98 . . . . 19036 1 194 no EMBL CAA10601 . "calmodulin [Caenorhabditis elegans]" . . . . . 100.00 149 97.97 98.65 1.28e-97 . . . . 19036 1 195 no EMBL CAA32050 . "calmodulin [Rattus norvegicus]" . . . . . 100.00 149 100.00 100.00 5.13e-100 . . . . 19036 1 196 no EMBL CAA32062 . "calmodulin II [Rattus norvegicus]" . . . . . 100.00 149 100.00 100.00 5.13e-100 . . . . 19036 1 197 no EMBL CAA32119 . "calmodulin [Rattus norvegicus]" . . . . . 100.00 149 100.00 100.00 5.13e-100 . . . . 19036 1 198 no EMBL CAA32120 . "calmodulin [Rattus norvegicus]" . . . . . 100.00 149 100.00 100.00 5.13e-100 . . . . 19036 1 199 no GB AAA35635 . "calmodulin [Homo sapiens]" . . . . . 100.00 149 100.00 100.00 5.13e-100 . . . . 19036 1 200 no GB AAA35641 . "calmodulin [Homo sapiens]" . . . . . 100.00 149 100.00 100.00 5.13e-100 . . . . 19036 1 201 no GB AAA37365 . "calmodulin synthesis [Mus musculus]" . . . . . 100.00 149 100.00 100.00 5.13e-100 . . . . 19036 1 202 no GB AAA40862 . "calmodulin [Rattus norvegicus]" . . . . . 100.00 149 100.00 100.00 5.13e-100 . . . . 19036 1 203 no GB AAA40863 . "calmodulin [Rattus norvegicus]" . . . . . 100.00 149 100.00 100.00 5.13e-100 . . . . 19036 1 204 no PIR JC1305 . "calmodulin - Japanese medaka" . . . . . 100.00 149 100.00 100.00 5.13e-100 . . . . 19036 1 205 no PIR MCON . "calmodulin - salmon" . . . . . 100.00 148 100.00 100.00 4.91e-100 . . . . 19036 1 206 no PRF 0409298A . "troponin C-like protein" . . . . . 100.00 148 97.30 100.00 2.53e-98 . . . . 19036 1 207 no PRF 0608335A . calmodulin . . . . . 100.00 148 97.97 99.32 3.48e-97 . . . . 19036 1 208 no REF NP_001008160 . "calmodulin [Xenopus (Silurana) tropicalis]" . . . . . 100.00 149 100.00 100.00 5.13e-100 . . . . 19036 1 209 no REF NP_001009759 . "calmodulin [Ovis aries]" . . . . . 100.00 149 100.00 100.00 5.13e-100 . . . . 19036 1 210 no REF NP_001027633 . "calmodulin [Ciona intestinalis]" . . . . . 100.00 149 97.30 98.65 3.34e-97 . . . . 19036 1 211 no REF NP_001039714 . "calmodulin [Bos taurus]" . . . . . 100.00 149 100.00 100.00 5.13e-100 . . . . 19036 1 212 no REF NP_001040234 . "calmodulin [Bombyx mori]" . . . . . 100.00 149 97.97 99.32 5.16e-98 . . . . 19036 1 213 no SP O02367 . "RecName: Full=Calmodulin; Short=CaM; AltName: Full=Ci-CaM" . . . . . 100.00 149 97.30 98.65 3.34e-97 . . . . 19036 1 214 no SP O16305 . "RecName: Full=Calmodulin; Short=CaM" . . . . . 100.00 149 97.97 98.65 1.28e-97 . . . . 19036 1 215 no SP O96081 . "RecName: Full=Calmodulin-B; Short=CaM B" . . . . . 100.00 149 97.30 98.65 3.76e-97 . . . . 19036 1 216 no SP P02594 . "RecName: Full=Calmodulin; Short=CaM" . . . . . 100.00 149 99.32 100.00 1.65e-99 . . . . 19036 1 217 no SP P05932 . "RecName: Full=Calmodulin-beta; Short=Cam B" . . . . . 93.24 138 97.10 99.28 5.25e-90 . . . . 19036 1 218 no TPG DAA13808 . "TPA: calmodulin 2-like [Bos taurus]" . . . . . 100.00 216 98.65 98.65 2.49e-98 . . . . 19036 1 219 no TPG DAA18029 . "TPA: calmodulin [Bos taurus]" . . . . . 100.00 149 98.65 99.32 7.54e-99 . . . . 19036 1 220 no TPG DAA19590 . "TPA: calmodulin 3 [Bos taurus]" . . . . . 100.00 149 100.00 100.00 5.13e-100 . . . . 19036 1 221 no TPG DAA24777 . "TPA: calmodulin 2-like [Bos taurus]" . . . . . 100.00 149 100.00 100.00 5.13e-100 . . . . 19036 1 222 no TPG DAA24988 . "TPA: calmodulin 2-like isoform 1 [Bos taurus]" . . . . . 100.00 149 100.00 100.00 5.13e-100 . . . . 19036 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 1 ALA . 19036 1 2 2 ASP . 19036 1 3 3 GLN . 19036 1 4 4 LEU . 19036 1 5 5 THR . 19036 1 6 6 GLU . 19036 1 7 7 GLU . 19036 1 8 8 GLN . 19036 1 9 9 ILE . 19036 1 10 10 ALA . 19036 1 11 11 GLU . 19036 1 12 12 PHE . 19036 1 13 13 LYS . 19036 1 14 14 GLU . 19036 1 15 15 ALA . 19036 1 16 16 PHE . 19036 1 17 17 SER . 19036 1 18 18 LEU . 19036 1 19 19 PHE . 19036 1 20 20 ASP . 19036 1 21 21 LYS . 19036 1 22 22 ASP . 19036 1 23 23 GLY . 19036 1 24 24 ASP . 19036 1 25 25 GLY . 19036 1 26 26 THR . 19036 1 27 27 ILE . 19036 1 28 28 THR . 19036 1 29 29 THR . 19036 1 30 30 LYS . 19036 1 31 31 GLU . 19036 1 32 32 LEU . 19036 1 33 33 GLY . 19036 1 34 34 THR . 19036 1 35 35 VAL . 19036 1 36 36 MET . 19036 1 37 37 ARG . 19036 1 38 38 SER . 19036 1 39 39 LEU . 19036 1 40 40 GLY . 19036 1 41 41 GLN . 19036 1 42 42 ASN . 19036 1 43 43 PRO . 19036 1 44 44 THR . 19036 1 45 45 GLU . 19036 1 46 46 ALA . 19036 1 47 47 GLU . 19036 1 48 48 LEU . 19036 1 49 49 GLN . 19036 1 50 50 ASP . 19036 1 51 51 MET . 19036 1 52 52 ILE . 19036 1 53 53 ASN . 19036 1 54 54 GLU . 19036 1 55 55 VAL . 19036 1 56 56 ASP . 19036 1 57 57 ALA . 19036 1 58 58 ASP . 19036 1 59 59 GLY . 19036 1 60 60 ASN . 19036 1 61 61 GLY . 19036 1 62 62 THR . 19036 1 63 63 ILE . 19036 1 64 64 ASP . 19036 1 65 65 PHE . 19036 1 66 66 PRO . 19036 1 67 67 GLU . 19036 1 68 68 PHE . 19036 1 69 69 LEU . 19036 1 70 70 THR . 19036 1 71 71 MET . 19036 1 72 72 MET . 19036 1 73 73 ALA . 19036 1 74 74 ARG . 19036 1 75 75 LYS . 19036 1 76 76 MET . 19036 1 77 77 LYS . 19036 1 78 78 ASP . 19036 1 79 79 THR . 19036 1 80 80 ASP . 19036 1 81 81 SER . 19036 1 82 82 GLU . 19036 1 83 83 GLU . 19036 1 84 84 GLU . 19036 1 85 85 ILE . 19036 1 86 86 ARG . 19036 1 87 87 GLU . 19036 1 88 88 ALA . 19036 1 89 89 PHE . 19036 1 90 90 ARG . 19036 1 91 91 VAL . 19036 1 92 92 PHE . 19036 1 93 93 ASP . 19036 1 94 94 LYS . 19036 1 95 95 ASP . 19036 1 96 96 GLY . 19036 1 97 97 ASN . 19036 1 98 98 GLY . 19036 1 99 99 TYR . 19036 1 100 100 ILE . 19036 1 101 101 SER . 19036 1 102 102 ALA . 19036 1 103 103 ALA . 19036 1 104 104 GLU . 19036 1 105 105 LEU . 19036 1 106 106 ARG . 19036 1 107 107 HIS . 19036 1 108 108 VAL . 19036 1 109 109 MET . 19036 1 110 110 THR . 19036 1 111 111 ASN . 19036 1 112 112 LEU . 19036 1 113 113 GLY . 19036 1 114 114 GLU . 19036 1 115 115 LYS . 19036 1 116 116 LEU . 19036 1 117 117 THR . 19036 1 118 118 ASP . 19036 1 119 119 GLU . 19036 1 120 120 GLU . 19036 1 121 121 VAL . 19036 1 122 122 ASP . 19036 1 123 123 GLU . 19036 1 124 124 MET . 19036 1 125 125 ILE . 19036 1 126 126 ARG . 19036 1 127 127 GLU . 19036 1 128 128 ALA . 19036 1 129 129 ASP . 19036 1 130 130 ILE . 19036 1 131 131 ASP . 19036 1 132 132 GLY . 19036 1 133 133 ASP . 19036 1 134 134 GLY . 19036 1 135 135 GLN . 19036 1 136 136 VAL . 19036 1 137 137 ASN . 19036 1 138 138 TYR . 19036 1 139 139 GLU . 19036 1 140 140 GLU . 19036 1 141 141 PHE . 19036 1 142 142 VAL . 19036 1 143 143 GLN . 19036 1 144 144 MET . 19036 1 145 145 MET . 19036 1 146 146 THR . 19036 1 147 147 ALA . 19036 1 148 148 LYS . 19036 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 19036 1 . ASP 2 2 19036 1 . GLN 3 3 19036 1 . LEU 4 4 19036 1 . THR 5 5 19036 1 . GLU 6 6 19036 1 . GLU 7 7 19036 1 . GLN 8 8 19036 1 . ILE 9 9 19036 1 . ALA 10 10 19036 1 . GLU 11 11 19036 1 . PHE 12 12 19036 1 . LYS 13 13 19036 1 . GLU 14 14 19036 1 . ALA 15 15 19036 1 . PHE 16 16 19036 1 . SER 17 17 19036 1 . LEU 18 18 19036 1 . PHE 19 19 19036 1 . ASP 20 20 19036 1 . LYS 21 21 19036 1 . ASP 22 22 19036 1 . GLY 23 23 19036 1 . ASP 24 24 19036 1 . GLY 25 25 19036 1 . THR 26 26 19036 1 . ILE 27 27 19036 1 . THR 28 28 19036 1 . THR 29 29 19036 1 . LYS 30 30 19036 1 . GLU 31 31 19036 1 . LEU 32 32 19036 1 . GLY 33 33 19036 1 . THR 34 34 19036 1 . VAL 35 35 19036 1 . MET 36 36 19036 1 . ARG 37 37 19036 1 . SER 38 38 19036 1 . LEU 39 39 19036 1 . GLY 40 40 19036 1 . GLN 41 41 19036 1 . ASN 42 42 19036 1 . PRO 43 43 19036 1 . THR 44 44 19036 1 . GLU 45 45 19036 1 . ALA 46 46 19036 1 . GLU 47 47 19036 1 . LEU 48 48 19036 1 . GLN 49 49 19036 1 . ASP 50 50 19036 1 . MET 51 51 19036 1 . ILE 52 52 19036 1 . ASN 53 53 19036 1 . GLU 54 54 19036 1 . VAL 55 55 19036 1 . ASP 56 56 19036 1 . ALA 57 57 19036 1 . ASP 58 58 19036 1 . GLY 59 59 19036 1 . ASN 60 60 19036 1 . GLY 61 61 19036 1 . THR 62 62 19036 1 . ILE 63 63 19036 1 . ASP 64 64 19036 1 . PHE 65 65 19036 1 . PRO 66 66 19036 1 . GLU 67 67 19036 1 . PHE 68 68 19036 1 . LEU 69 69 19036 1 . THR 70 70 19036 1 . MET 71 71 19036 1 . MET 72 72 19036 1 . ALA 73 73 19036 1 . ARG 74 74 19036 1 . LYS 75 75 19036 1 . MET 76 76 19036 1 . LYS 77 77 19036 1 . ASP 78 78 19036 1 . THR 79 79 19036 1 . ASP 80 80 19036 1 . SER 81 81 19036 1 . GLU 82 82 19036 1 . GLU 83 83 19036 1 . GLU 84 84 19036 1 . ILE 85 85 19036 1 . ARG 86 86 19036 1 . GLU 87 87 19036 1 . ALA 88 88 19036 1 . PHE 89 89 19036 1 . ARG 90 90 19036 1 . VAL 91 91 19036 1 . PHE 92 92 19036 1 . ASP 93 93 19036 1 . LYS 94 94 19036 1 . ASP 95 95 19036 1 . GLY 96 96 19036 1 . ASN 97 97 19036 1 . GLY 98 98 19036 1 . TYR 99 99 19036 1 . ILE 100 100 19036 1 . SER 101 101 19036 1 . ALA 102 102 19036 1 . ALA 103 103 19036 1 . GLU 104 104 19036 1 . LEU 105 105 19036 1 . ARG 106 106 19036 1 . HIS 107 107 19036 1 . VAL 108 108 19036 1 . MET 109 109 19036 1 . THR 110 110 19036 1 . ASN 111 111 19036 1 . LEU 112 112 19036 1 . GLY 113 113 19036 1 . GLU 114 114 19036 1 . LYS 115 115 19036 1 . LEU 116 116 19036 1 . THR 117 117 19036 1 . ASP 118 118 19036 1 . GLU 119 119 19036 1 . GLU 120 120 19036 1 . VAL 121 121 19036 1 . ASP 122 122 19036 1 . GLU 123 123 19036 1 . MET 124 124 19036 1 . ILE 125 125 19036 1 . ARG 126 126 19036 1 . GLU 127 127 19036 1 . ALA 128 128 19036 1 . ASP 129 129 19036 1 . ILE 130 130 19036 1 . ASP 131 131 19036 1 . GLY 132 132 19036 1 . ASP 133 133 19036 1 . GLY 134 134 19036 1 . GLN 135 135 19036 1 . VAL 136 136 19036 1 . ASN 137 137 19036 1 . TYR 138 138 19036 1 . GLU 139 139 19036 1 . GLU 140 140 19036 1 . PHE 141 141 19036 1 . VAL 142 142 19036 1 . GLN 143 143 19036 1 . MET 144 144 19036 1 . MET 145 145 19036 1 . THR 146 146 19036 1 . ALA 147 147 19036 1 . LYS 148 148 19036 1 stop_ save_ save_peptide _Entity.Sf_category entity _Entity.Sf_framecode peptide _Entity.Entry_ID 19036 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name peptide _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID B _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MDVFMKGLSKAKEGVVAAAX ; _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 yes _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 20 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 1953.383 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-01-29 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 16300 . alpha-synuclein . . . . . 95.00 140 100.00 100.00 1.84e-02 . . . . 19036 2 2 no BMRB 16302 . alpha-synuclein . . . . . 95.00 140 100.00 100.00 1.84e-02 . . . . 19036 2 3 no BMRB 16342 . human_a-synuclein . . . . . 95.00 140 100.00 100.00 1.84e-02 . . . . 19036 2 4 no BMRB 16543 . "monomer alpha-synuclein" . . . . . 95.00 140 100.00 100.00 1.84e-02 . . . . 19036 2 5 no BMRB 16546 . A30P_alpha-synuclein . . . . . 95.00 140 100.00 100.00 1.78e-02 . . . . 19036 2 6 no BMRB 16547 . E46K_alpha-synuclein . . . . . 95.00 140 100.00 100.00 1.90e-02 . . . . 19036 2 7 no BMRB 16548 . A53T_alpha-synuclein . . . . . 95.00 140 100.00 100.00 1.78e-02 . . . . 19036 2 8 no BMRB 16904 . alpha-synuclein . . . . . 95.00 140 100.00 100.00 1.84e-02 . . . . 19036 2 9 no BMRB 17214 . A30P_alpha-synuclein . . . . . 95.00 140 100.00 100.00 1.78e-02 . . . . 19036 2 10 no BMRB 17498 . alpha-synuclein . . . . . 95.00 140 100.00 100.00 1.84e-02 . . . . 19036 2 11 no BMRB 17665 . aSyn . . . . . 95.00 150 100.00 100.00 2.14e-02 . . . . 19036 2 12 no BMRB 18232 . mouse_alpha-synuclein . . . . . 95.00 140 100.00 100.00 1.82e-02 . . . . 19036 2 13 no BMRB 18857 . alpha_synuclein . . . . . 95.00 140 100.00 100.00 1.84e-02 . . . . 19036 2 14 no BMRB 18860 . a-synuclein . . . . . 95.00 140 100.00 100.00 1.84e-02 . . . . 19036 2 15 no BMRB 19257 . Alpha-synuclein . . . . . 95.00 140 100.00 100.00 1.84e-02 . . . . 19036 2 16 no BMRB 19337 . aSyn . . . . . 95.00 140 100.00 100.00 1.84e-02 . . . . 19036 2 17 no BMRB 19338 . aSyn_A53T . . . . . 95.00 140 100.00 100.00 1.78e-02 . . . . 19036 2 18 no BMRB 19344 . aSyn_S87N . . . . . 95.00 140 100.00 100.00 1.84e-02 . . . . 19036 2 19 no BMRB 19345 . aSyn_A53T&S87N . . . . . 95.00 140 100.00 100.00 1.76e-02 . . . . 19036 2 20 no BMRB 19346 . aSyn_mouse . . . . . 95.00 140 100.00 100.00 1.82e-02 . . . . 19036 2 21 no BMRB 19347 . aSyn_mouse_T53A . . . . . 95.00 140 100.00 100.00 1.90e-02 . . . . 19036 2 22 no BMRB 19348 . aSyn_mouse_N87S . . . . . 90.00 139 100.00 100.00 1.23e-01 . . . . 19036 2 23 no BMRB 19349 . aSyn_mouse_T53A&N87S . . . . . 90.00 139 100.00 100.00 1.33e-01 . . . . 19036 2 24 no BMRB 19350 . acet_aSyn . . . . . 95.00 140 100.00 100.00 1.84e-02 . . . . 19036 2 25 no BMRB 19351 . acet_aSyn_A53T . . . . . 95.00 140 100.00 100.00 1.78e-02 . . . . 19036 2 26 no BMRB 5744 . alpha-synuclein . . . . . 95.00 140 100.00 100.00 1.84e-02 . . . . 19036 2 27 no BMRB 6968 . naturally_unfolded_alpha-synuclein . . . . . 95.00 140 100.00 100.00 1.84e-02 . . . . 19036 2 28 no PDB 1XQ8 . "Human Micelle-Bound Alpha-Synuclein" . . . . . 95.00 140 100.00 100.00 1.84e-02 . . . . 19036 2 29 no PDB 2KKW . "Slas-Micelle Bound Alpha-Synuclein" . . . . . 95.00 140 100.00 100.00 1.84e-02 . . . . 19036 2 30 no PDB 2M55 . "Nmr Structure Of The Complex Of An N-terminally Acetylated Alpha- Synuclein Peptide With Calmodulin" . . . . . 95.00 21 100.00 100.00 2.33e-02 . . . . 19036 2 31 no PDB 3Q25 . "Crystal Structure Of Human Alpha-Synuclein (1-19) Fused To Maltose Binding Protein (Mbp)" . . . . . 95.00 390 100.00 100.00 8.17e-02 . . . . 19036 2 32 no PDB 3Q29 . "Cyrstal Structure Of Human Alpha-Synuclein (1-19) Fused To Maltose Binding Protein (Mbp)" . . . . . 95.00 390 100.00 100.00 8.17e-02 . . . . 19036 2 33 no DBJ BAA06625 . "NACP112 [Homo sapiens]" . . . . . 95.00 112 100.00 100.00 1.39e-02 . . . . 19036 2 34 no DBJ BAB29375 . "unnamed protein product [Mus musculus]" . . . . . 95.00 122 100.00 100.00 1.59e-02 . . . . 19036 2 35 no DBJ BAE33670 . "unnamed protein product [Mus musculus]" . . . . . 95.00 140 100.00 100.00 1.82e-02 . . . . 19036 2 36 no DBJ BAF82858 . "unnamed protein product [Homo sapiens]" . . . . . 95.00 140 100.00 100.00 1.84e-02 . . . . 19036 2 37 no DBJ BAG73790 . "synuclein, alpha [synthetic construct]" . . . . . 95.00 140 100.00 100.00 1.84e-02 . . . . 19036 2 38 no EMBL CAG33339 . "SNCA [Homo sapiens]" . . . . . 95.00 140 100.00 100.00 1.84e-02 . . . . 19036 2 39 no EMBL CAG46454 . "SNCA [Homo sapiens]" . . . . . 95.00 140 100.00 100.00 1.84e-02 . . . . 19036 2 40 no GB AAA16117 . "AD amyloid [Homo sapiens]" . . . . . 95.00 140 100.00 100.00 1.84e-02 . . . . 19036 2 41 no GB AAA93538 . "synelfin [Serinus canaria]" . . . . . 95.00 143 100.00 100.00 1.59e-02 . . . . 19036 2 42 no GB AAA98487 . "synuclein [Homo sapiens]" . . . . . 95.00 112 100.00 100.00 1.39e-02 . . . . 19036 2 43 no GB AAA98493 . "synuclein [Homo sapiens]" . . . . . 95.00 126 100.00 100.00 1.53e-02 . . . . 19036 2 44 no GB AAB20688 . "synuclein SYN1 [Rattus sp.]" . . . . . 95.00 140 100.00 100.00 1.78e-02 . . . . 19036 2 45 no REF NP_000336 . "alpha-synuclein isoform NACP140 [Homo sapiens]" . . . . . 95.00 140 100.00 100.00 1.84e-02 . . . . 19036 2 46 no REF NP_001009158 . "alpha-synuclein [Pan troglodytes]" . . . . . 95.00 140 100.00 100.00 1.84e-02 . . . . 19036 2 47 no REF NP_001029213 . "alpha-synuclein [Bos taurus]" . . . . . 95.00 140 100.00 100.00 1.86e-02 . . . . 19036 2 48 no REF NP_001032222 . "alpha-synuclein [Sus scrofa]" . . . . . 95.00 140 100.00 100.00 1.72e-02 . . . . 19036 2 49 no REF NP_001035916 . "alpha-synuclein [Mus musculus]" . . . . . 95.00 140 100.00 100.00 1.82e-02 . . . . 19036 2 50 no SP O55042 . "RecName: Full=Alpha-synuclein; AltName: Full=Non-A beta component of AD amyloid; AltName: Full=Non-A4 component of amyloid prec" . . . . . 95.00 140 100.00 100.00 1.82e-02 . . . . 19036 2 51 no SP P37377 . "RecName: Full=Alpha-synuclein [Rattus norvegicus]" . . . . . 95.00 140 100.00 100.00 1.78e-02 . . . . 19036 2 52 no SP P37840 . "RecName: Full=Alpha-synuclein; AltName: Full=Non-A beta component of AD amyloid; AltName: Full=Non-A4 component of amyloid prec" . . . . . 95.00 140 100.00 100.00 1.84e-02 . . . . 19036 2 53 no SP P61138 . "RecName: Full=Alpha-synuclein [Ateles geoffroyi]" . . . . . 95.00 140 100.00 100.00 1.80e-02 . . . . 19036 2 54 no SP P61139 . "RecName: Full=Alpha-synuclein [Erythrocebus patas]" . . . . . 95.00 140 100.00 100.00 1.84e-02 . . . . 19036 2 55 no TPG DAA28796 . "TPA: alpha-synuclein [Bos taurus]" . . . . . 95.00 140 100.00 100.00 1.86e-02 . . . . 19036 2 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 201 MET . 19036 2 2 202 ASP . 19036 2 3 203 VAL . 19036 2 4 204 PHE . 19036 2 5 205 MET . 19036 2 6 206 LYS . 19036 2 7 207 GLY . 19036 2 8 208 LEU . 19036 2 9 209 SER . 19036 2 10 210 LYS . 19036 2 11 211 ALA . 19036 2 12 212 LYS . 19036 2 13 213 GLU . 19036 2 14 214 GLY . 19036 2 15 215 VAL . 19036 2 16 216 VAL . 19036 2 17 217 ALA . 19036 2 18 218 ALA . 19036 2 19 219 ALA . 19036 2 20 220 NH2 . 19036 2 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 19036 2 . ASP 2 2 19036 2 . VAL 3 3 19036 2 . PHE 4 4 19036 2 . MET 5 5 19036 2 . LYS 6 6 19036 2 . GLY 7 7 19036 2 . LEU 8 8 19036 2 . SER 9 9 19036 2 . LYS 10 10 19036 2 . ALA 11 11 19036 2 . LYS 12 12 19036 2 . GLU 13 13 19036 2 . GLY 14 14 19036 2 . VAL 15 15 19036 2 . VAL 16 16 19036 2 . ALA 17 17 19036 2 . ALA 18 18 19036 2 . ALA 19 19 19036 2 . NH2 20 20 19036 2 stop_ save_ save_entity_ACE _Entity.Sf_category entity _Entity.Sf_framecode entity_ACE _Entity.Entry_ID 19036 _Entity.ID 3 _Entity.BMRB_code ACE _Entity.Name 'ACETYL GROUP' _Entity.Type non-polymer _Entity.Polymer_common_type . _Entity.Polymer_type . _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code . _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID ACE _Entity.Nonpolymer_comp_label $chem_comp_ACE _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components 1 _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID 3 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 44.053 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'ACETYL GROUP' BMRB 19036 3 stop_ loop_ _Entity_systematic_name.Name _Entity_systematic_name.Naming_system _Entity_systematic_name.Entry_ID _Entity_systematic_name.Entity_ID 'ACETYL GROUP' BMRB 19036 3 ACE 'Three letter code' 19036 3 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 1 ACE $chem_comp_ACE 19036 3 stop_ loop_ _Entity_atom_list.ID _Entity_atom_list.Comp_index_ID _Entity_atom_list.Comp_ID _Entity_atom_list.Atom_ID _Entity_atom_list.Entry_ID _Entity_atom_list.Entity_ID 1 1 ACE C 19036 3 2 1 ACE CH3 19036 3 3 1 ACE H 19036 3 4 1 ACE H1 19036 3 5 1 ACE H2 19036 3 6 1 ACE H3 19036 3 7 1 ACE O 19036 3 stop_ save_ save_entity_CA _Entity.Sf_category entity _Entity.Sf_framecode entity_CA _Entity.Entry_ID 19036 _Entity.ID 4 _Entity.BMRB_code CA _Entity.Name 'CALCIUM ION' _Entity.Type non-polymer _Entity.Polymer_common_type . _Entity.Polymer_type . _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code . _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID CA _Entity.Nonpolymer_comp_label $chem_comp_CA _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components 1 _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID 4 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 40.078 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'CALCIUM ION' BMRB 19036 4 stop_ loop_ _Entity_systematic_name.Name _Entity_systematic_name.Naming_system _Entity_systematic_name.Entry_ID _Entity_systematic_name.Entity_ID 'CALCIUM ION' BMRB 19036 4 CA 'Three letter code' 19036 4 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 1 CA $chem_comp_CA 19036 4 stop_ loop_ _Entity_atom_list.ID _Entity_atom_list.Comp_index_ID _Entity_atom_list.Comp_ID _Entity_atom_list.Atom_ID _Entity_atom_list.Entry_ID _Entity_atom_list.Entity_ID 1 1 CA CA 19036 4 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 19036 _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' Humans . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 19036 1 2 2 $peptide . 9606 organism . 'Homo sapiens' Humans . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 19036 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 19036 _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 . . . . . . . . . . . . . . . . pet17b . . . . . . 19036 1 2 2 $peptide . 'chemical synthesis' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 19036 1 3 3 $entity_ACE . 'chemical synthesis' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 19036 1 4 4 $entity_CA . 'obtained from a vendor' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 19036 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_NH2 _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_NH2 _Chem_comp.Entry_ID 19036 _Chem_comp.ID NH2 _Chem_comp.Provenance PDB _Chem_comp.Name 'AMINO GROUP' _Chem_comp.Type NON-POLYMER _Chem_comp.BMRB_code NH2 _Chem_comp.PDB_code NH2 _Chem_comp.Ambiguous_flag yes _Chem_comp.Initial_date 2012-11-20 _Chem_comp.Modified_date 2012-11-20 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code NH2 _Chem_comp.Number_atoms_all 3 _Chem_comp.Number_atoms_nh 1 _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code InChI=1/H3N/h1H3 _Chem_comp.Mon_nstd_flag . _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID . _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms . _Chem_comp.Formal_charge 0 _Chem_comp.Paramagnetic no _Chem_comp.Aromatic no _Chem_comp.Formula 'H2 N' _Chem_comp.Formula_weight 16.023 _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag no _Chem_comp.Ideal_coordinates_details 'OpenEye OEToolkits' _Chem_comp.Ideal_coordinates_missing_flag no _Chem_comp.Model_coordinates_db_code 2FLY _Chem_comp.Processing_site RCSB _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details . _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_descriptor.Descriptor _Chem_comp_descriptor.Type _Chem_comp_descriptor.Program _Chem_comp_descriptor.Program_version _Chem_comp_descriptor.Entry_ID _Chem_comp_descriptor.Comp_ID InChI=1/H3N/h1H3 InChI InChI 1.02b 19036 NH2 N SMILES ACDLabs 10.04 19036 NH2 [NH2] SMILES CACTVS 3.341 19036 NH2 [NH2] SMILES 'OpenEye OEToolkits' 1.5.0 19036 NH2 [NH2] SMILES_CANONICAL CACTVS 3.341 19036 NH2 [NH2] SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 19036 NH2 QGZKDVFQNNGYKY-UHFFFAOYAF InChIKey InChI 1.02b 19036 NH2 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 ammonia 'SYSTEMATIC NAME' ACDLabs 10.04 19036 NH2 l^{2}-azane 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 19036 NH2 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 N N N N . N . . N 0 . . . 1 no no . . . . 10.091 . 8.978 . -7.810 . 0.000 0.000 0.000 1 . 19036 NH2 HN1 HN1 HN1 1HN . H . . N 0 . . . 1 no no . . . . 9.517 . 8.769 . -7.044 . -0.385 -0.545 -0.771 2 . 19036 NH2 HN2 HN2 HN2 2HN . H . . N 0 . . . 1 no no . . . . 10.323 . 9.890 . -8.082 . 1.020 0.000 0.000 3 . 19036 NH2 stop_ loop_ _Chem_comp_bond.ID _Chem_comp_bond.Type _Chem_comp_bond.Value_order _Chem_comp_bond.Atom_ID_1 _Chem_comp_bond.Atom_ID_2 _Chem_comp_bond.Aromatic_flag _Chem_comp_bond.Stereo_config _Chem_comp_bond.Ordinal _Chem_comp_bond.Details _Chem_comp_bond.Entry_ID _Chem_comp_bond.Comp_ID 1 . SING N HN1 no N 1 . 19036 NH2 2 . SING N HN2 no N 2 . 19036 NH2 stop_ save_ save_chem_comp_ACE _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_ACE _Chem_comp.Entry_ID 19036 _Chem_comp.ID ACE _Chem_comp.Provenance PDB _Chem_comp.Name 'ACETYL GROUP' _Chem_comp.Type NON-POLYMER _Chem_comp.BMRB_code ACE _Chem_comp.PDB_code ACE _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 2012-11-20 _Chem_comp.Modified_date 2012-11-20 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces ACU _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code ACE _Chem_comp.Number_atoms_all 7 _Chem_comp.Number_atoms_nh 3 _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code InChI=1S/C2H4O/c1-2-3/h2H,1H3 _Chem_comp.Mon_nstd_flag . _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID . _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms . _Chem_comp.Formal_charge 0 _Chem_comp.Paramagnetic no _Chem_comp.Aromatic no _Chem_comp.Formula 'C2 H4 O' _Chem_comp.Formula_weight 44.053 _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag no _Chem_comp.Ideal_coordinates_details . _Chem_comp.Ideal_coordinates_missing_flag no _Chem_comp.Model_coordinates_db_code . _Chem_comp.Processing_site EBI _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details . _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_descriptor.Descriptor _Chem_comp_descriptor.Type _Chem_comp_descriptor.Program _Chem_comp_descriptor.Program_version _Chem_comp_descriptor.Entry_ID _Chem_comp_descriptor.Comp_ID CC=O SMILES CACTVS 3.341 19036 ACE CC=O SMILES 'OpenEye OEToolkits' 1.5.0 19036 ACE CC=O SMILES_CANONICAL CACTVS 3.341 19036 ACE CC=O SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 19036 ACE IKHGUXGNUITLKF-UHFFFAOYSA-N InChIKey InChI 1.03 19036 ACE InChI=1S/C2H4O/c1-2-3/h2H,1H3 InChI InChI 1.03 19036 ACE O=CC SMILES ACDLabs 10.04 19036 ACE 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 acetaldehyde 'SYSTEMATIC NAME' ACDLabs 10.04 19036 ACE ethanal 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 19036 ACE 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 C C C C . C . . N 0 . . . 1 no no . . . . 0.772 . -10.072 . 6.578 . -0.133 0.453 0.000 1 . 19036 ACE O O O O . O . . N 0 . . . 1 no no . . . . 1.973 . -10.223 . 6.862 . -1.113 -0.252 0.000 2 . 19036 ACE CH3 CH3 CH3 CH3 . C . . N 0 . . . 1 no no . . . . -0.322 . -10.677 . 7.405 . 1.241 -0.167 0.000 3 . 19036 ACE H H H H . H . . N 0 . . . 1 no no . . . . 0.685 . -9.453 . 5.669 . -0.240 1.528 0.000 4 . 19036 ACE H1 H1 H1 1H . H . . N 0 . . . 1 no no . . . . -1.191 . -10.444 . 7.018 . 1.360 -0.785 0.890 5 . 19036 ACE H2 H2 H2 2H . H . . N 0 . . . 1 no no . . . . -0.269 . -10.331 . 8.320 . 1.360 -0.785 -0.890 6 . 19036 ACE H3 H3 H3 3H . H . . N 0 . . . 1 no no . . . . -0.221 . -11.652 . 7.418 . 1.995 0.620 0.000 7 . 19036 ACE stop_ loop_ _Chem_comp_bond.ID _Chem_comp_bond.Type _Chem_comp_bond.Value_order _Chem_comp_bond.Atom_ID_1 _Chem_comp_bond.Atom_ID_2 _Chem_comp_bond.Aromatic_flag _Chem_comp_bond.Stereo_config _Chem_comp_bond.Ordinal _Chem_comp_bond.Details _Chem_comp_bond.Entry_ID _Chem_comp_bond.Comp_ID 1 . DOUB C O no N 1 . 19036 ACE 2 . SING C CH3 no N 2 . 19036 ACE 3 . SING C H no N 3 . 19036 ACE 4 . SING CH3 H1 no N 4 . 19036 ACE 5 . SING CH3 H2 no N 5 . 19036 ACE 6 . SING CH3 H3 no N 6 . 19036 ACE stop_ save_ save_chem_comp_CA _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_CA _Chem_comp.Entry_ID 19036 _Chem_comp.ID CA _Chem_comp.Provenance PDB _Chem_comp.Name 'CALCIUM ION' _Chem_comp.Type NON-POLYMER _Chem_comp.BMRB_code CA _Chem_comp.PDB_code CA _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 2012-11-20 _Chem_comp.Modified_date 2012-11-20 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code CA _Chem_comp.Number_atoms_all 1 _Chem_comp.Number_atoms_nh 1 _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code InChI=1S/Ca/q+2 _Chem_comp.Mon_nstd_flag . _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID . _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms . _Chem_comp.Formal_charge 2 _Chem_comp.Paramagnetic no _Chem_comp.Aromatic no _Chem_comp.Formula Ca _Chem_comp.Formula_weight 40.078 _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag no _Chem_comp.Ideal_coordinates_details . _Chem_comp.Ideal_coordinates_missing_flag no _Chem_comp.Model_coordinates_db_code . _Chem_comp.Processing_site RCSB _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details . _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_descriptor.Descriptor _Chem_comp_descriptor.Type _Chem_comp_descriptor.Program _Chem_comp_descriptor.Program_version _Chem_comp_descriptor.Entry_ID _Chem_comp_descriptor.Comp_ID BHPQYMZQTOCNFJ-UHFFFAOYSA-N InChIKey InChI 1.03 19036 CA [Ca++] SMILES CACTVS 3.341 19036 CA [Ca++] SMILES_CANONICAL CACTVS 3.341 19036 CA [Ca+2] SMILES ACDLabs 10.04 19036 CA [Ca+2] SMILES 'OpenEye OEToolkits' 1.5.0 19036 CA [Ca+2] SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 19036 CA InChI=1S/Ca/q+2 InChI InChI 1.03 19036 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 19036 CA 'calcium(+2) cation' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 19036 CA stop_ loop_ _Chem_comp_atom.Atom_ID _Chem_comp_atom.BMRB_code _Chem_comp_atom.PDB_atom_ID _Chem_comp_atom.Alt_atom_ID _Chem_comp_atom.Auth_atom_ID _Chem_comp_atom.Type_symbol _Chem_comp_atom.Isotope_number _Chem_comp_atom.Chirality _Chem_comp_atom.Stereo_config _Chem_comp_atom.Charge _Chem_comp_atom.Partial_charge _Chem_comp_atom.Oxidation_number _Chem_comp_atom.Unpaired_electron_number _Chem_comp_atom.Align _Chem_comp_atom.Aromatic_flag _Chem_comp_atom.Leaving_atom_flag _Chem_comp_atom.Substruct_code _Chem_comp_atom.Ionizable _Chem_comp_atom.Drawing_2D_coord_x _Chem_comp_atom.Drawing_2D_coord_y _Chem_comp_atom.Model_Cartn_x _Chem_comp_atom.Model_Cartn_x_esd _Chem_comp_atom.Model_Cartn_y _Chem_comp_atom.Model_Cartn_y_esd _Chem_comp_atom.Model_Cartn_z _Chem_comp_atom.Model_Cartn_z_esd _Chem_comp_atom.Model_Cartn_x_ideal _Chem_comp_atom.Model_Cartn_y_ideal _Chem_comp_atom.Model_Cartn_z_ideal _Chem_comp_atom.PDBX_ordinal _Chem_comp_atom.Details _Chem_comp_atom.Entry_ID _Chem_comp_atom.Comp_ID CA CA CA CA . CA . . N 2 . . . 0 no no . . . . 0.000 . 0.000 . 0.000 . 0.000 0.000 0.000 1 . 19036 CA stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 19036 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% 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-99% 13C; U-99% 15N]' . . 1 $calmodulin . . 600 . . uM . . . . 19036 1 2 peptide 'natural abundance' . . 2 $peptide . . 600 . . uM . . . . 19036 1 3 MES 'natural abundance' . . . . . . 50 . . mM . . . . 19036 1 4 'potassium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 19036 1 5 'CALCIUM ION' 'natural abundance' . . 4 $entity_CA . . 3 . . mM . . . . 19036 1 6 H2O 'natural abundance' . . . . . . 95 . . % . . . . 19036 1 7 D2O 'natural abundance' . . . . . . 5 . . % . . . . 19036 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 19036 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% 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 peptide '[U-13C; U-15N]-Met,Val,Phe,Gly,Leu,Ala' . . 1 $calmodulin . . 700 . . uM . . . . 19036 2 2 calmodulin 'natural abundance' . . 2 $peptide . . 700 . . uM . . . . 19036 2 3 MES 'natural abundance' . . . . . . 50 . . mM . . . . 19036 2 4 'potassium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 19036 2 5 'CALCIUM ION' 'natural abundance' . . 4 $entity_CA . . 3 . . mM . . . . 19036 2 6 'sodium azide' 'natural abundance' . . . . . . .1 . . % . . . . 19036 2 7 H2O 'natural abundance' . . . . . . 95 . . % . . . . 19036 2 8 D2O 'natural abundance' . . . . . . 5 . . % . . . . 19036 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 19036 _Sample.ID 3 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% 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-99% 13C; U-99% 15N]' . . 1 $calmodulin . . 150 . . uM . . . . 19036 3 2 peptide 'natural abundance' . . 2 $peptide . . 150 . . uM . . . . 19036 3 3 MES 'natural abundance' . . . . . . 50 . . mM . . . . 19036 3 4 'potassium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 19036 3 5 'CALCIUM ION' 'natural abundance' . . 4 $entity_CA . . 3 . . mM . . . . 19036 3 6 'Pf1 phage' 'natural abundance' . . . . . . 10 . . mg/mL . . . . 19036 3 7 H2O 'natural abundance' . . . . . . 95 . . % . . . . 19036 3 8 D2O 'natural abundance' . . . . . . 5 . . % . . . . 19036 3 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 19036 _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 pH 6.36 . pH 19036 1 pressure 1 . atm 19036 1 temperature 310 . K 19036 1 stop_ save_ ############################ # Computer software used # ############################ save_X-PLOR_NIH _Software.Sf_category software _Software.Sf_framecode X-PLOR_NIH _Software.Entry_ID 19036 _Software.ID 1 _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' . . 19036 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 19036 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 19036 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 900 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 19036 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_3 _NMR_spectrometer.Entry_ID 19036 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 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 19036 _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 . 900 . . . 19036 1 2 spectrometer_2 Bruker Avance . 800 . . . 19036 1 3 spectrometer_3 Bruker Avance . 600 . . . 19036 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 19036 _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 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 19036 1 2 '3D 1H-15N NOESY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 19036 1 3 '3D 1H-13C NOESY aliphatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19036 1 4 '2D 1H-13C HSQC aromatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 19036 1 5 '3D 1H-13C NOESY aliphatic' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19036 1 6 '3D 1H-13C NOESY aromatic' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 19036 1 7 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 19036 1 8 '2D 1H-15N HSQC' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 19036 1 9 '2D 1H-15N HSQC' no . . . . . . . . . . 3 $sample_3 anisotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 19036 1 10 '2D 1H-13C HSQC aliphatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19036 1 11 '2D 1H-13C HSQC aromatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 19036 1 12 '2D 1H-13C HSQC aliphatic' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19036 1 13 '2D 1H-13C HSQC aromatic' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 19036 1 14 '2D 1H-13C HSQC aliphatic' no . . . . . . . . . . 3 $sample_3 anisotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 19036 1 15 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 19036 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 19036 _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 water protons . . . . ppm 4.658 internal indirect 0.251449530 . . . . . . . . . 19036 1 H 1 water protons . . . . ppm 4.658 internal direct 1 . . . . . . . . . 19036 1 N 15 water protons . . . . ppm 4.658 internal indirect 0.101329118 . . . . . . . . . 19036 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 19036 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '3D 1H-15N NOESY' . . . 19036 1 2 '3D 1H-15N NOESY' . . . 19036 1 3 '3D 1H-13C NOESY aliphatic' . . . 19036 1 4 '2D 1H-13C HSQC aromatic' . . . 19036 1 5 '3D 1H-13C NOESY aliphatic' . . . 19036 1 6 '3D 1H-13C NOESY aromatic' . . . 19036 1 15 '3D CBCA(CO)NH' . . . 19036 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 HA H 1 4.1174 0.03000 . 1 . . . A 1 ALA HA . 19036 1 2 . 1 1 1 1 ALA CA C 13 51.969 0.30000 . 1 . . . A 1 ALA CA . 19036 1 3 . 1 1 1 1 ALA CB C 13 19.449 0.30000 . 1 . . . A 1 ALA CB . 19036 1 4 . 1 1 2 2 ASP HA H 1 4.6536 0.03000 . 1 . . . A 2 ASP HA . 19036 1 5 . 1 1 2 2 ASP CA C 13 54.799 0.30000 . 1 . . . A 2 ASP CA . 19036 1 6 . 1 1 2 2 ASP CB C 13 41.496 0.30000 . 1 . . . A 2 ASP CB . 19036 1 7 . 1 1 3 3 GLN H H 1 8.3852 0.03000 . 1 . . . A 3 GLN H . 19036 1 8 . 1 1 3 3 GLN HA H 1 4.3995 0.03000 . 1 . . . A 3 GLN HA . 19036 1 9 . 1 1 3 3 GLN CA C 13 55.646 0.30000 . 1 . . . A 3 GLN CA . 19036 1 10 . 1 1 3 3 GLN CB C 13 29.996 0.30000 . 1 . . . A 3 GLN CB . 19036 1 11 . 1 1 3 3 GLN N N 15 119.90 0.30000 . 1 . . . A 3 GLN N . 19036 1 12 . 1 1 4 4 LEU H H 1 8.3513 0.03000 . 1 . . . A 4 LEU H . 19036 1 13 . 1 1 4 4 LEU HA H 1 4.6809 0.03000 . 1 . . . A 4 LEU HA . 19036 1 14 . 1 1 4 4 LEU CA C 13 54.516 0.30000 . 1 . . . A 4 LEU CA . 19036 1 15 . 1 1 4 4 LEU CB C 13 43.666 0.30000 . 1 . . . A 4 LEU CB . 19036 1 16 . 1 1 4 4 LEU N N 15 123.27 0.30000 . 1 . . . A 4 LEU N . 19036 1 17 . 1 1 5 5 THR H H 1 8.7638 0.03000 . 1 . . . A 5 THR H . 19036 1 18 . 1 1 5 5 THR HA H 1 4.4787 0.03000 . 1 . . . A 5 THR HA . 19036 1 19 . 1 1 5 5 THR CA C 13 60.553 0.30000 . 1 . . . A 5 THR CA . 19036 1 20 . 1 1 5 5 THR CB C 13 71.232 0.30000 . 1 . . . A 5 THR CB . 19036 1 21 . 1 1 5 5 THR N N 15 113.15 0.30000 . 1 . . . A 5 THR N . 19036 1 22 . 1 1 6 6 GLU H H 1 9.0660 0.03000 . 1 . . . A 6 GLU H . 19036 1 23 . 1 1 6 6 GLU HA H 1 3.9939 0.03000 . 1 . . . A 6 GLU HA . 19036 1 24 . 1 1 6 6 GLU CA C 13 60.091 0.30000 . 1 . . . A 6 GLU CA . 19036 1 25 . 1 1 6 6 GLU CB C 13 29.307 0.30000 . 1 . . . A 6 GLU CB . 19036 1 26 . 1 1 6 6 GLU N N 15 120.49 0.30000 . 1 . . . A 6 GLU N . 19036 1 27 . 1 1 7 7 GLU H H 1 8.7686 0.03000 . 1 . . . A 7 GLU H . 19036 1 28 . 1 1 7 7 GLU HA H 1 4.0806 0.03000 . 1 . . . A 7 GLU HA . 19036 1 29 . 1 1 7 7 GLU CA C 13 60.055 0.30000 . 1 . . . A 7 GLU CA . 19036 1 30 . 1 1 7 7 GLU CB C 13 29.194 0.30000 . 1 . . . A 7 GLU CB . 19036 1 31 . 1 1 7 7 GLU N N 15 119.64 0.30000 . 1 . . . A 7 GLU N . 19036 1 32 . 1 1 8 8 GLN H H 1 7.7793 0.03000 . 1 . . . A 8 GLN H . 19036 1 33 . 1 1 8 8 GLN HA H 1 3.8575 0.03000 . 1 . . . A 8 GLN HA . 19036 1 34 . 1 1 8 8 GLN CA C 13 58.691 0.30000 . 1 . . . A 8 GLN CA . 19036 1 35 . 1 1 8 8 GLN CB C 13 29.295 0.30000 . 1 . . . A 8 GLN CB . 19036 1 36 . 1 1 8 8 GLN N N 15 120.42 0.30000 . 1 . . . A 8 GLN N . 19036 1 37 . 1 1 9 9 ILE H H 1 8.3909 0.03000 . 1 . . . A 9 ILE H . 19036 1 38 . 1 1 9 9 ILE HA H 1 3.6985 0.03000 . 1 . . . A 9 ILE HA . 19036 1 39 . 1 1 9 9 ILE CA C 13 66.284 0.30000 . 1 . . . A 9 ILE CA . 19036 1 40 . 1 1 9 9 ILE CB C 13 37.882 0.30000 . 1 . . . A 9 ILE CB . 19036 1 41 . 1 1 9 9 ILE N N 15 119.53 0.30000 . 1 . . . A 9 ILE N . 19036 1 42 . 1 1 10 10 ALA H H 1 8.0404 0.03000 . 1 . . . A 10 ALA H . 19036 1 43 . 1 1 10 10 ALA HA H 1 4.1403 0.03000 . 1 . . . A 10 ALA HA . 19036 1 44 . 1 1 10 10 ALA CA C 13 55.569 0.30000 . 1 . . . A 10 ALA CA . 19036 1 45 . 1 1 10 10 ALA CB C 13 17.977 0.30000 . 1 . . . A 10 ALA CB . 19036 1 46 . 1 1 10 10 ALA N N 15 121.27 0.30000 . 1 . . . A 10 ALA N . 19036 1 47 . 1 1 11 11 GLU H H 1 7.8405 0.03000 . 1 . . . A 11 GLU H . 19036 1 48 . 1 1 11 11 GLU HA H 1 4.1593 0.03000 . 1 . . . A 11 GLU HA . 19036 1 49 . 1 1 11 11 GLU CA C 13 59.438 0.30000 . 1 . . . A 11 GLU CA . 19036 1 50 . 1 1 11 11 GLU CB C 13 29.098 0.30000 . 1 . . . A 11 GLU CB . 19036 1 51 . 1 1 11 11 GLU N N 15 119.83 0.30000 . 1 . . . A 11 GLU N . 19036 1 52 . 1 1 12 12 PHE H H 1 8.6406 0.03000 . 1 . . . A 12 PHE H . 19036 1 53 . 1 1 12 12 PHE HA H 1 5.0327 0.03000 . 1 . . . A 12 PHE HA . 19036 1 54 . 1 1 12 12 PHE CA C 13 59.113 0.30000 . 1 . . . A 12 PHE CA . 19036 1 55 . 1 1 12 12 PHE CB C 13 37.727 0.30000 . 1 . . . A 12 PHE CB . 19036 1 56 . 1 1 12 12 PHE N N 15 120.25 0.30000 . 1 . . . A 12 PHE N . 19036 1 57 . 1 1 13 13 LYS H H 1 9.2726 0.03000 . 1 . . . A 13 LYS H . 19036 1 58 . 1 1 13 13 LYS HA H 1 4.0379 0.03000 . 1 . . . A 13 LYS HA . 19036 1 59 . 1 1 13 13 LYS CA C 13 60.228 0.30000 . 1 . . . A 13 LYS CA . 19036 1 60 . 1 1 13 13 LYS CB C 13 32.020 0.30000 . 1 . . . A 13 LYS CB . 19036 1 61 . 1 1 13 13 LYS N N 15 123.68 0.30000 . 1 . . . A 13 LYS N . 19036 1 62 . 1 1 14 14 GLU H H 1 7.8735 0.03000 . 1 . . . A 14 GLU H . 19036 1 63 . 1 1 14 14 GLU HA H 1 4.1504 0.03000 . 1 . . . A 14 GLU HA . 19036 1 64 . 1 1 14 14 GLU CA C 13 59.283 0.30000 . 1 . . . A 14 GLU CA . 19036 1 65 . 1 1 14 14 GLU CB C 13 29.163 0.30000 . 1 . . . A 14 GLU CB . 19036 1 66 . 1 1 14 14 GLU N N 15 120.48 0.30000 . 1 . . . A 14 GLU N . 19036 1 67 . 1 1 15 15 ALA H H 1 8.0446 0.03000 . 1 . . . A 15 ALA H . 19036 1 68 . 1 1 15 15 ALA HA H 1 4.2849 0.03000 . 1 . . . A 15 ALA HA . 19036 1 69 . 1 1 15 15 ALA CA C 13 55.370 0.30000 . 1 . . . A 15 ALA CA . 19036 1 70 . 1 1 15 15 ALA CB C 13 18.190 0.30000 . 1 . . . A 15 ALA CB . 19036 1 71 . 1 1 15 15 ALA N N 15 122.59 0.30000 . 1 . . . A 15 ALA N . 19036 1 72 . 1 1 16 16 PHE H H 1 8.8043 0.03000 . 1 . . . A 16 PHE H . 19036 1 73 . 1 1 16 16 PHE HA H 1 3.3140 0.03000 . 1 . . . A 16 PHE HA . 19036 1 74 . 1 1 16 16 PHE CA C 13 62.091 0.30000 . 1 . . . A 16 PHE CA . 19036 1 75 . 1 1 16 16 PHE CB C 13 39.813 0.30000 . 1 . . . A 16 PHE CB . 19036 1 76 . 1 1 16 16 PHE N N 15 119.11 0.30000 . 1 . . . A 16 PHE N . 19036 1 77 . 1 1 17 17 SER H H 1 8.0830 0.03000 . 1 . . . A 17 SER H . 19036 1 78 . 1 1 17 17 SER HA H 1 4.1393 0.03000 . 1 . . . A 17 SER HA . 19036 1 79 . 1 1 17 17 SER CA C 13 61.542 0.30000 . 1 . . . A 17 SER CA . 19036 1 80 . 1 1 17 17 SER CB C 13 63.424 0.30000 . 1 . . . A 17 SER CB . 19036 1 81 . 1 1 17 17 SER N N 15 113.20 0.30000 . 1 . . . A 17 SER N . 19036 1 82 . 1 1 18 18 LEU H H 1 7.4364 0.03000 . 1 . . . A 18 LEU H . 19036 1 83 . 1 1 18 18 LEU HA H 1 3.9811 0.03000 . 1 . . . A 18 LEU HA . 19036 1 84 . 1 1 18 18 LEU CA C 13 57.258 0.30000 . 1 . . . A 18 LEU CA . 19036 1 85 . 1 1 18 18 LEU CB C 13 41.565 0.30000 . 1 . . . A 18 LEU CB . 19036 1 86 . 1 1 18 18 LEU N N 15 120.84 0.30000 . 1 . . . A 18 LEU N . 19036 1 87 . 1 1 19 19 PHE H H 1 7.1800 0.03000 . 1 . . . A 19 PHE H . 19036 1 88 . 1 1 19 19 PHE HA H 1 4.2369 0.03000 . 1 . . . A 19 PHE HA . 19036 1 89 . 1 1 19 19 PHE CA C 13 59.258 0.30000 . 1 . . . A 19 PHE CA . 19036 1 90 . 1 1 19 19 PHE CB C 13 41.732 0.30000 . 1 . . . A 19 PHE CB . 19036 1 91 . 1 1 19 19 PHE N N 15 114.02 0.30000 . 1 . . . A 19 PHE N . 19036 1 92 . 1 1 20 20 ASP H H 1 7.8441 0.03000 . 1 . . . A 20 ASP H . 19036 1 93 . 1 1 20 20 ASP HA H 1 4.5792 0.03000 . 1 . . . A 20 ASP HA . 19036 1 94 . 1 1 20 20 ASP CA C 13 52.295 0.30000 . 1 . . . A 20 ASP CA . 19036 1 95 . 1 1 20 20 ASP CB C 13 39.167 0.30000 . 1 . . . A 20 ASP CB . 19036 1 96 . 1 1 20 20 ASP N N 15 117.44 0.30000 . 1 . . . A 20 ASP N . 19036 1 97 . 1 1 21 21 LYS H H 1 7.7282 0.03000 . 1 . . . A 21 LYS H . 19036 1 98 . 1 1 21 21 LYS HA H 1 3.9904 0.03000 . 1 . . . A 21 LYS HA . 19036 1 99 . 1 1 21 21 LYS CA C 13 58.379 0.30000 . 1 . . . A 21 LYS CA . 19036 1 100 . 1 1 21 21 LYS CB C 13 32.623 0.30000 . 1 . . . A 21 LYS CB . 19036 1 101 . 1 1 21 21 LYS N N 15 124.41 0.30000 . 1 . . . A 21 LYS N . 19036 1 102 . 1 1 22 22 ASP H H 1 8.0947 0.03000 . 1 . . . A 22 ASP H . 19036 1 103 . 1 1 22 22 ASP HA H 1 4.6254 0.03000 . 1 . . . A 22 ASP HA . 19036 1 104 . 1 1 22 22 ASP CA C 13 52.921 0.30000 . 1 . . . A 22 ASP CA . 19036 1 105 . 1 1 22 22 ASP CB C 13 39.728 0.30000 . 1 . . . A 22 ASP CB . 19036 1 106 . 1 1 22 22 ASP N N 15 114.06 0.30000 . 1 . . . A 22 ASP N . 19036 1 107 . 1 1 23 23 GLY H H 1 7.7171 0.03000 . 1 . . . A 23 GLY H . 19036 1 108 . 1 1 23 23 GLY HA2 H 1 3.8200 0.03000 . 2 . . . A 23 GLY HA2 . 19036 1 109 . 1 1 23 23 GLY HA3 H 1 3.8739 0.03000 . 2 . . . A 23 GLY HA3 . 19036 1 110 . 1 1 23 23 GLY CA C 13 47.250 0.30000 . 1 . . . A 23 GLY CA . 19036 1 111 . 1 1 23 23 GLY N N 15 109.39 0.30000 . 1 . . . A 23 GLY N . 19036 1 112 . 1 1 24 24 ASP H H 1 8.4720 0.03000 . 1 . . . A 24 ASP H . 19036 1 113 . 1 1 24 24 ASP HA H 1 4.5643 0.03000 . 1 . . . A 24 ASP HA . 19036 1 114 . 1 1 24 24 ASP CA C 13 53.918 0.30000 . 1 . . . A 24 ASP CA . 19036 1 115 . 1 1 24 24 ASP CB C 13 40.569 0.30000 . 1 . . . A 24 ASP CB . 19036 1 116 . 1 1 24 24 ASP N N 15 120.86 0.30000 . 1 . . . A 24 ASP N . 19036 1 117 . 1 1 25 25 GLY H H 1 10.619 0.03000 . 1 . . . A 25 GLY H . 19036 1 118 . 1 1 25 25 GLY HA2 H 1 3.7280 0.03000 . 2 . . . A 25 GLY HA2 . 19036 1 119 . 1 1 25 25 GLY HA3 H 1 4.3918 0.03000 . 2 . . . A 25 GLY HA3 . 19036 1 120 . 1 1 25 25 GLY CA C 13 45.542 0.30000 . 1 . . . A 25 GLY CA . 19036 1 121 . 1 1 25 25 GLY N N 15 113.09 0.30000 . 1 . . . A 25 GLY N . 19036 1 122 . 1 1 26 26 THR H H 1 8.2108 0.03000 . 1 . . . A 26 THR H . 19036 1 123 . 1 1 26 26 THR HA H 1 5.3910 0.03000 . 1 . . . A 26 THR HA . 19036 1 124 . 1 1 26 26 THR CA C 13 59.883 0.30000 . 1 . . . A 26 THR CA . 19036 1 125 . 1 1 26 26 THR CB C 13 72.786 0.30000 . 1 . . . A 26 THR CB . 19036 1 126 . 1 1 26 26 THR N N 15 112.60 0.30000 . 1 . . . A 26 THR N . 19036 1 127 . 1 1 27 27 ILE H H 1 9.8758 0.03000 . 1 . . . A 27 ILE H . 19036 1 128 . 1 1 27 27 ILE HA H 1 4.8948 0.03000 . 1 . . . A 27 ILE HA . 19036 1 129 . 1 1 27 27 ILE CA C 13 60.856 0.30000 . 1 . . . A 27 ILE CA . 19036 1 130 . 1 1 27 27 ILE CB C 13 39.926 0.30000 . 1 . . . A 27 ILE CB . 19036 1 131 . 1 1 27 27 ILE N N 15 126.83 0.30000 . 1 . . . A 27 ILE N . 19036 1 132 . 1 1 28 28 THR H H 1 8.4393 0.03000 . 1 . . . A 28 THR H . 19036 1 133 . 1 1 28 28 THR HA H 1 4.8111 0.03000 . 1 . . . A 28 THR HA . 19036 1 134 . 1 1 28 28 THR CA C 13 59.216 0.30000 . 1 . . . A 28 THR CA . 19036 1 135 . 1 1 28 28 THR CB C 13 72.541 0.30000 . 1 . . . A 28 THR CB . 19036 1 136 . 1 1 28 28 THR N N 15 116.50 0.30000 . 1 . . . A 28 THR N . 19036 1 137 . 1 1 29 29 THR H H 1 9.2381 0.03000 . 1 . . . A 29 THR H . 19036 1 138 . 1 1 29 29 THR HA H 1 3.8072 0.03000 . 1 . . . A 29 THR HA . 19036 1 139 . 1 1 29 29 THR CA C 13 66.516 0.30000 . 1 . . . A 29 THR CA . 19036 1 140 . 1 1 29 29 THR CB C 13 68.018 0.30000 . 1 . . . A 29 THR CB . 19036 1 141 . 1 1 29 29 THR N N 15 112.85 0.30000 . 1 . . . A 29 THR N . 19036 1 142 . 1 1 30 30 LYS H H 1 7.6883 0.03000 . 1 . . . A 30 LYS H . 19036 1 143 . 1 1 30 30 LYS HA H 1 4.1705 0.03000 . 1 . . . A 30 LYS HA . 19036 1 144 . 1 1 30 30 LYS CA C 13 59.377 0.30000 . 1 . . . A 30 LYS CA . 19036 1 145 . 1 1 30 30 LYS CB C 13 32.823 0.30000 . 1 . . . A 30 LYS CB . 19036 1 146 . 1 1 30 30 LYS N N 15 121.13 0.30000 . 1 . . . A 30 LYS N . 19036 1 147 . 1 1 31 31 GLU H H 1 7.7829 0.03000 . 1 . . . A 31 GLU H . 19036 1 148 . 1 1 31 31 GLU HA H 1 4.0621 0.03000 . 1 . . . A 31 GLU HA . 19036 1 149 . 1 1 31 31 GLU CA C 13 59.579 0.30000 . 1 . . . A 31 GLU CA . 19036 1 150 . 1 1 31 31 GLU CB C 13 29.837 0.30000 . 1 . . . A 31 GLU CB . 19036 1 151 . 1 1 31 31 GLU N N 15 121.92 0.30000 . 1 . . . A 31 GLU N . 19036 1 152 . 1 1 32 32 LEU H H 1 8.7049 0.03000 . 1 . . . A 32 LEU H . 19036 1 153 . 1 1 32 32 LEU HA H 1 4.1452 0.03000 . 1 . . . A 32 LEU HA . 19036 1 154 . 1 1 32 32 LEU CA C 13 58.321 0.30000 . 1 . . . A 32 LEU CA . 19036 1 155 . 1 1 32 32 LEU CB C 13 42.697 0.30000 . 1 . . . A 32 LEU CB . 19036 1 156 . 1 1 32 32 LEU N N 15 120.57 0.30000 . 1 . . . A 32 LEU N . 19036 1 157 . 1 1 33 33 GLY H H 1 8.7527 0.03000 . 1 . . . A 33 GLY H . 19036 1 158 . 1 1 33 33 GLY HA2 H 1 3.5920 0.03000 . 2 . . . A 33 GLY HA2 . 19036 1 159 . 1 1 33 33 GLY HA3 H 1 3.9954 0.03000 . 2 . . . A 33 GLY HA3 . 19036 1 160 . 1 1 33 33 GLY N N 15 105.72 0.30000 . 1 . . . A 33 GLY N . 19036 1 161 . 1 1 34 34 THR H H 1 8.0712 0.03000 . 1 . . . A 34 THR H . 19036 1 162 . 1 1 34 34 THR HA H 1 3.9608 0.03000 . 1 . . . A 34 THR HA . 19036 1 163 . 1 1 34 34 THR CA C 13 67.097 0.30000 . 1 . . . A 34 THR CA . 19036 1 164 . 1 1 34 34 THR CB C 13 68.869 0.30000 . 1 . . . A 34 THR CB . 19036 1 165 . 1 1 34 34 THR N N 15 118.37 0.30000 . 1 . . . A 34 THR N . 19036 1 166 . 1 1 35 35 VAL H H 1 7.7378 0.03000 . 1 . . . A 35 VAL H . 19036 1 167 . 1 1 35 35 VAL HA H 1 3.6085 0.03000 . 1 . . . A 35 VAL HA . 19036 1 168 . 1 1 35 35 VAL CA C 13 66.538 0.30000 . 1 . . . A 35 VAL CA . 19036 1 169 . 1 1 35 35 VAL CB C 13 31.589 0.30000 . 1 . . . A 35 VAL CB . 19036 1 170 . 1 1 35 35 VAL N N 15 122.17 0.30000 . 1 . . . A 35 VAL N . 19036 1 171 . 1 1 36 36 MET H H 1 8.5586 0.03000 . 1 . . . A 36 MET H . 19036 1 172 . 1 1 36 36 MET HA H 1 4.0426 0.03000 . 1 . . . A 36 MET HA . 19036 1 173 . 1 1 36 36 MET CA C 13 59.594 0.30000 . 1 . . . A 36 MET CA . 19036 1 174 . 1 1 36 36 MET CB C 13 31.850 0.30000 . 1 . . . A 36 MET CB . 19036 1 175 . 1 1 36 36 MET N N 15 118.62 0.30000 . 1 . . . A 36 MET N . 19036 1 176 . 1 1 37 37 ARG H H 1 8.6382 0.03000 . 1 . . . A 37 ARG H . 19036 1 177 . 1 1 37 37 ARG HA H 1 4.7976 0.03000 . 1 . . . A 37 ARG HA . 19036 1 178 . 1 1 37 37 ARG CA C 13 59.518 0.30000 . 1 . . . A 37 ARG CA . 19036 1 179 . 1 1 37 37 ARG CB C 13 30.189 0.30000 . 1 . . . A 37 ARG CB . 19036 1 180 . 1 1 37 37 ARG N N 15 118.92 0.30000 . 1 . . . A 37 ARG N . 19036 1 181 . 1 1 38 38 SER H H 1 7.9943 0.03000 . 1 . . . A 38 SER H . 19036 1 182 . 1 1 38 38 SER HA H 1 4.4196 0.03000 . 1 . . . A 38 SER HA . 19036 1 183 . 1 1 38 38 SER CA C 13 61.682 0.30000 . 1 . . . A 38 SER CA . 19036 1 184 . 1 1 38 38 SER CB C 13 62.890 0.30000 . 1 . . . A 38 SER CB . 19036 1 185 . 1 1 38 38 SER N N 15 119.00 0.30000 . 1 . . . A 38 SER N . 19036 1 186 . 1 1 39 39 LEU H H 1 7.4259 0.03000 . 1 . . . A 39 LEU H . 19036 1 187 . 1 1 39 39 LEU HA H 1 4.4984 0.03000 . 1 . . . A 39 LEU HA . 19036 1 188 . 1 1 39 39 LEU CA C 13 54.405 0.30000 . 1 . . . A 39 LEU CA . 19036 1 189 . 1 1 39 39 LEU CB C 13 41.979 0.30000 . 1 . . . A 39 LEU CB . 19036 1 190 . 1 1 39 39 LEU N N 15 120.79 0.30000 . 1 . . . A 39 LEU N . 19036 1 191 . 1 1 40 40 GLY H H 1 7.8959 0.03000 . 1 . . . A 40 GLY H . 19036 1 192 . 1 1 40 40 GLY HA2 H 1 3.8150 0.03000 . 2 . . . A 40 GLY HA2 . 19036 1 193 . 1 1 40 40 GLY HA3 H 1 4.2871 0.03000 . 2 . . . A 40 GLY HA3 . 19036 1 194 . 1 1 40 40 GLY CA C 13 45.713 0.30000 . 1 . . . A 40 GLY CA . 19036 1 195 . 1 1 40 40 GLY N N 15 106.83 0.30000 . 1 . . . A 40 GLY N . 19036 1 196 . 1 1 41 41 GLN H H 1 7.8650 0.03000 . 1 . . . A 41 GLN H . 19036 1 197 . 1 1 41 41 GLN HA H 1 4.5035 0.03000 . 1 . . . A 41 GLN HA . 19036 1 198 . 1 1 41 41 GLN CA C 13 54.585 0.30000 . 1 . . . A 41 GLN CA . 19036 1 199 . 1 1 41 41 GLN CB C 13 30.591 0.30000 . 1 . . . A 41 GLN CB . 19036 1 200 . 1 1 41 41 GLN N N 15 118.33 0.30000 . 1 . . . A 41 GLN N . 19036 1 201 . 1 1 42 42 ASN H H 1 8.7714 0.03000 . 1 . . . A 42 ASN H . 19036 1 202 . 1 1 42 42 ASN HA H 1 5.2136 0.03000 . 1 . . . A 42 ASN HA . 19036 1 203 . 1 1 42 42 ASN CA C 13 51.351 0.30000 . 1 . . . A 42 ASN CA . 19036 1 204 . 1 1 42 42 ASN CB C 13 39.402 0.30000 . 1 . . . A 42 ASN CB . 19036 1 205 . 1 1 42 42 ASN N N 15 116.49 0.30000 . 1 . . . A 42 ASN N . 19036 1 206 . 1 1 43 43 PRO HA H 1 4.7794 0.03000 . 1 . . . A 43 PRO HA . 19036 1 207 . 1 1 43 43 PRO CA C 13 62.475 0.30000 . 1 . . . A 43 PRO CA . 19036 1 208 . 1 1 43 43 PRO CB C 13 32.084 0.30000 . 1 . . . A 43 PRO CB . 19036 1 209 . 1 1 44 44 THR H H 1 8.8084 0.03000 . 1 . . . A 44 THR H . 19036 1 210 . 1 1 44 44 THR HA H 1 4.4870 0.03000 . 1 . . . A 44 THR HA . 19036 1 211 . 1 1 44 44 THR CA C 13 60.565 0.30000 . 1 . . . A 44 THR CA . 19036 1 212 . 1 1 44 44 THR CB C 13 71.260 0.30000 . 1 . . . A 44 THR CB . 19036 1 213 . 1 1 44 44 THR N N 15 113.05 0.30000 . 1 . . . A 44 THR N . 19036 1 214 . 1 1 45 45 GLU H H 1 8.8423 0.03000 . 1 . . . A 45 GLU H . 19036 1 215 . 1 1 45 45 GLU HA H 1 4.0011 0.03000 . 1 . . . A 45 GLU HA . 19036 1 216 . 1 1 45 45 GLU CA C 13 60.082 0.30000 . 1 . . . A 45 GLU CA . 19036 1 217 . 1 1 45 45 GLU CB C 13 29.129 0.30000 . 1 . . . A 45 GLU CB . 19036 1 218 . 1 1 45 45 GLU N N 15 120.70 0.30000 . 1 . . . A 45 GLU N . 19036 1 219 . 1 1 46 46 ALA H H 1 8.3052 0.03000 . 1 . . . A 46 ALA H . 19036 1 220 . 1 1 46 46 ALA HA H 1 4.1246 0.03000 . 1 . . . A 46 ALA HA . 19036 1 221 . 1 1 46 46 ALA CA C 13 55.125 0.30000 . 1 . . . A 46 ALA CA . 19036 1 222 . 1 1 46 46 ALA CB C 13 18.342 0.30000 . 1 . . . A 46 ALA CB . 19036 1 223 . 1 1 46 46 ALA N N 15 120.88 0.30000 . 1 . . . A 46 ALA N . 19036 1 224 . 1 1 47 47 GLU H H 1 7.7362 0.03000 . 1 . . . A 47 GLU H . 19036 1 225 . 1 1 47 47 GLU HA H 1 4.0404 0.03000 . 1 . . . A 47 GLU HA . 19036 1 226 . 1 1 47 47 GLU CA C 13 59.144 0.30000 . 1 . . . A 47 GLU CA . 19036 1 227 . 1 1 47 47 GLU CB C 13 29.886 0.30000 . 1 . . . A 47 GLU CB . 19036 1 228 . 1 1 47 47 GLU N N 15 118.78 0.30000 . 1 . . . A 47 GLU N . 19036 1 229 . 1 1 48 48 LEU H H 1 8.1690 0.03000 . 1 . . . A 48 LEU H . 19036 1 230 . 1 1 48 48 LEU HA H 1 4.0789 0.03000 . 1 . . . A 48 LEU HA . 19036 1 231 . 1 1 48 48 LEU CA C 13 57.955 0.30000 . 1 . . . A 48 LEU CA . 19036 1 232 . 1 1 48 48 LEU CB C 13 42.516 0.30000 . 1 . . . A 48 LEU CB . 19036 1 233 . 1 1 48 48 LEU N N 15 120.12 0.30000 . 1 . . . A 48 LEU N . 19036 1 234 . 1 1 49 49 GLN H H 1 8.2352 0.03000 . 1 . . . A 49 GLN H . 19036 1 235 . 1 1 49 49 GLN HA H 1 3.8492 0.03000 . 1 . . . A 49 GLN HA . 19036 1 236 . 1 1 49 49 GLN CA C 13 58.676 0.30000 . 1 . . . A 49 GLN CA . 19036 1 237 . 1 1 49 49 GLN CB C 13 28.341 0.30000 . 1 . . . A 49 GLN CB . 19036 1 238 . 1 1 49 49 GLN N N 15 118.39 0.30000 . 1 . . . A 49 GLN N . 19036 1 239 . 1 1 50 50 ASP H H 1 8.1641 0.03000 . 1 . . . A 50 ASP H . 19036 1 240 . 1 1 50 50 ASP HA H 1 4.4386 0.03000 . 1 . . . A 50 ASP HA . 19036 1 241 . 1 1 50 50 ASP CA C 13 57.643 0.30000 . 1 . . . A 50 ASP CA . 19036 1 242 . 1 1 50 50 ASP CB C 13 40.366 0.30000 . 1 . . . A 50 ASP CB . 19036 1 243 . 1 1 50 50 ASP N N 15 120.09 0.30000 . 1 . . . A 50 ASP N . 19036 1 244 . 1 1 51 51 MET H H 1 7.9085 0.03000 . 1 . . . A 51 MET H . 19036 1 245 . 1 1 51 51 MET HA H 1 4.0208 0.03000 . 1 . . . A 51 MET HA . 19036 1 246 . 1 1 51 51 MET CA C 13 59.332 0.30000 . 1 . . . A 51 MET CA . 19036 1 247 . 1 1 51 51 MET CB C 13 33.713 0.30000 . 1 . . . A 51 MET CB . 19036 1 248 . 1 1 51 51 MET N N 15 119.33 0.30000 . 1 . . . A 51 MET N . 19036 1 249 . 1 1 52 52 ILE H H 1 7.7667 0.03000 . 1 . . . A 52 ILE H . 19036 1 250 . 1 1 52 52 ILE HA H 1 3.5813 0.03000 . 1 . . . A 52 ILE HA . 19036 1 251 . 1 1 52 52 ILE CA C 13 64.476 0.30000 . 1 . . . A 52 ILE CA . 19036 1 252 . 1 1 52 52 ILE CB C 13 37.177 0.30000 . 1 . . . A 52 ILE CB . 19036 1 253 . 1 1 52 52 ILE N N 15 118.08 0.30000 . 1 . . . A 52 ILE N . 19036 1 254 . 1 1 53 53 ASN H H 1 8.6690 0.03000 . 1 . . . A 53 ASN H . 19036 1 255 . 1 1 53 53 ASN HA H 1 4.4168 0.03000 . 1 . . . A 53 ASN HA . 19036 1 256 . 1 1 53 53 ASN CA C 13 55.988 0.30000 . 1 . . . A 53 ASN CA . 19036 1 257 . 1 1 53 53 ASN CB C 13 38.211 0.30000 . 1 . . . A 53 ASN CB . 19036 1 258 . 1 1 53 53 ASN N N 15 117.98 0.30000 . 1 . . . A 53 ASN N . 19036 1 259 . 1 1 54 54 GLU H H 1 7.5658 0.03000 . 1 . . . A 54 GLU H . 19036 1 260 . 1 1 54 54 GLU HA H 1 4.0662 0.03000 . 1 . . . A 54 GLU HA . 19036 1 261 . 1 1 54 54 GLU CA C 13 58.930 0.30000 . 1 . . . A 54 GLU CA . 19036 1 262 . 1 1 54 54 GLU CB C 13 30.404 0.30000 . 1 . . . A 54 GLU CB . 19036 1 263 . 1 1 54 54 GLU N N 15 116.35 0.30000 . 1 . . . A 54 GLU N . 19036 1 264 . 1 1 55 55 VAL H H 1 7.2424 0.03000 . 1 . . . A 55 VAL H . 19036 1 265 . 1 1 55 55 VAL HA H 1 4.3661 0.03000 . 1 . . . A 55 VAL HA . 19036 1 266 . 1 1 55 55 VAL CA C 13 61.089 0.30000 . 1 . . . A 55 VAL CA . 19036 1 267 . 1 1 55 55 VAL CB C 13 33.088 0.30000 . 1 . . . A 55 VAL CB . 19036 1 268 . 1 1 55 55 VAL N N 15 110.52 0.30000 . 1 . . . A 55 VAL N . 19036 1 269 . 1 1 56 56 ASP H H 1 7.7494 0.03000 . 1 . . . A 56 ASP H . 19036 1 270 . 1 1 56 56 ASP HA H 1 4.5820 0.03000 . 1 . . . A 56 ASP HA . 19036 1 271 . 1 1 56 56 ASP CA C 13 53.916 0.30000 . 1 . . . A 56 ASP CA . 19036 1 272 . 1 1 56 56 ASP CB C 13 40.588 0.30000 . 1 . . . A 56 ASP CB . 19036 1 273 . 1 1 56 56 ASP N N 15 121.39 0.30000 . 1 . . . A 56 ASP N . 19036 1 274 . 1 1 57 57 ALA H H 1 8.3233 0.03000 . 1 . . . A 57 ALA H . 19036 1 275 . 1 1 57 57 ALA HA H 1 4.2472 0.03000 . 1 . . . A 57 ALA HA . 19036 1 276 . 1 1 57 57 ALA CA C 13 54.341 0.30000 . 1 . . . A 57 ALA CA . 19036 1 277 . 1 1 57 57 ALA CB C 13 19.800 0.30000 . 1 . . . A 57 ALA CB . 19036 1 278 . 1 1 57 57 ALA N N 15 131.64 0.30000 . 1 . . . A 57 ALA N . 19036 1 279 . 1 1 58 58 ASP H H 1 8.2403 0.03000 . 1 . . . A 58 ASP H . 19036 1 280 . 1 1 58 58 ASP HA H 1 4.6818 0.03000 . 1 . . . A 58 ASP HA . 19036 1 281 . 1 1 58 58 ASP CA C 13 52.705 0.30000 . 1 . . . A 58 ASP CA . 19036 1 282 . 1 1 58 58 ASP CB C 13 39.931 0.30000 . 1 . . . A 58 ASP CB . 19036 1 283 . 1 1 58 58 ASP N N 15 114.00 0.30000 . 1 . . . A 58 ASP N . 19036 1 284 . 1 1 59 59 GLY H H 1 7.6346 0.03000 . 1 . . . A 59 GLY H . 19036 1 285 . 1 1 59 59 GLY HA2 H 1 3.9200 0.03000 . 2 . . . A 59 GLY HA2 . 19036 1 286 . 1 1 59 59 GLY HA3 H 1 3.9214 0.03000 . 2 . . . A 59 GLY HA3 . 19036 1 287 . 1 1 59 59 GLY CA C 13 47.306 0.30000 . 1 . . . A 59 GLY CA . 19036 1 288 . 1 1 59 59 GLY N N 15 108.66 0.30000 . 1 . . . A 59 GLY N . 19036 1 289 . 1 1 60 60 ASN H H 1 8.1842 0.03000 . 1 . . . A 60 ASN H . 19036 1 290 . 1 1 60 60 ASN HA H 1 4.6581 0.03000 . 1 . . . A 60 ASN HA . 19036 1 291 . 1 1 60 60 ASN CA C 13 52.805 0.30000 . 1 . . . A 60 ASN CA . 19036 1 292 . 1 1 60 60 ASN CB C 13 37.716 0.30000 . 1 . . . A 60 ASN CB . 19036 1 293 . 1 1 60 60 ASN N N 15 118.73 0.30000 . 1 . . . A 60 ASN N . 19036 1 294 . 1 1 61 61 GLY H H 1 10.605 0.03000 . 1 . . . A 61 GLY H . 19036 1 295 . 1 1 61 61 GLY HA2 H 1 3.5200 0.03000 . 2 . . . A 61 GLY HA2 . 19036 1 296 . 1 1 61 61 GLY HA3 H 1 4.2444 0.03000 . 2 . . . A 61 GLY HA3 . 19036 1 297 . 1 1 61 61 GLY CA C 13 45.753 0.30000 . 1 . . . A 61 GLY CA . 19036 1 298 . 1 1 61 61 GLY N N 15 113.43 0.30000 . 1 . . . A 61 GLY N . 19036 1 299 . 1 1 62 62 THR H H 1 7.6990 0.03000 . 1 . . . A 62 THR H . 19036 1 300 . 1 1 62 62 THR HA H 1 4.8743 0.03000 . 1 . . . A 62 THR HA . 19036 1 301 . 1 1 62 62 THR CA C 13 59.541 0.30000 . 1 . . . A 62 THR CA . 19036 1 302 . 1 1 62 62 THR CB C 13 72.168 0.30000 . 1 . . . A 62 THR CB . 19036 1 303 . 1 1 62 62 THR N N 15 108.75 0.30000 . 1 . . . A 62 THR N . 19036 1 304 . 1 1 63 63 ILE H H 1 8.8231 0.03000 . 1 . . . A 63 ILE H . 19036 1 305 . 1 1 63 63 ILE HA H 1 5.1598 0.03000 . 1 . . . A 63 ILE HA . 19036 1 306 . 1 1 63 63 ILE CA C 13 59.959 0.30000 . 1 . . . A 63 ILE CA . 19036 1 307 . 1 1 63 63 ILE CB C 13 39.836 0.30000 . 1 . . . A 63 ILE CB . 19036 1 308 . 1 1 63 63 ILE N N 15 123.51 0.30000 . 1 . . . A 63 ILE N . 19036 1 309 . 1 1 64 64 ASP H H 1 8.9464 0.03000 . 1 . . . A 64 ASP H . 19036 1 310 . 1 1 64 64 ASP HA H 1 5.4634 0.03000 . 1 . . . A 64 ASP HA . 19036 1 311 . 1 1 64 64 ASP CA C 13 52.257 0.30000 . 1 . . . A 64 ASP CA . 19036 1 312 . 1 1 64 64 ASP CB C 13 42.416 0.30000 . 1 . . . A 64 ASP CB . 19036 1 313 . 1 1 64 64 ASP N N 15 128.37 0.30000 . 1 . . . A 64 ASP N . 19036 1 314 . 1 1 65 65 PHE H H 1 8.9998 0.03000 . 1 . . . A 65 PHE H . 19036 1 315 . 1 1 65 65 PHE HA H 1 4.0280 0.03000 . 1 . . . A 65 PHE HA . 19036 1 316 . 1 1 65 65 PHE CA C 13 63.404 0.30000 . 1 . . . A 65 PHE CA . 19036 1 317 . 1 1 65 65 PHE CB C 13 36.123 0.30000 . 1 . . . A 65 PHE CB . 19036 1 318 . 1 1 65 65 PHE N N 15 118.87 0.30000 . 1 . . . A 65 PHE N . 19036 1 319 . 1 1 66 66 PRO HA H 1 3.9179 0.03000 . 1 . . . A 66 PRO HA . 19036 1 320 . 1 1 66 66 PRO CA C 13 66.799 0.30000 . 1 . . . A 66 PRO CA . 19036 1 321 . 1 1 66 66 PRO CB C 13 30.789 0.30000 . 1 . . . A 66 PRO CB . 19036 1 322 . 1 1 67 67 GLU H H 1 8.1853 0.03000 . 1 . . . A 67 GLU H . 19036 1 323 . 1 1 67 67 GLU HA H 1 4.0880 0.03000 . 1 . . . A 67 GLU HA . 19036 1 324 . 1 1 67 67 GLU CA C 13 58.965 0.30000 . 1 . . . A 67 GLU CA . 19036 1 325 . 1 1 67 67 GLU CB C 13 29.677 0.30000 . 1 . . . A 67 GLU CB . 19036 1 326 . 1 1 67 67 GLU N N 15 117.93 0.30000 . 1 . . . A 67 GLU N . 19036 1 327 . 1 1 68 68 PHE H H 1 8.7942 0.03000 . 1 . . . A 68 PHE H . 19036 1 328 . 1 1 68 68 PHE HA H 1 3.9565 0.03000 . 1 . . . A 68 PHE HA . 19036 1 329 . 1 1 68 68 PHE CA C 13 61.439 0.30000 . 1 . . . A 68 PHE CA . 19036 1 330 . 1 1 68 68 PHE CB C 13 40.429 0.30000 . 1 . . . A 68 PHE CB . 19036 1 331 . 1 1 68 68 PHE N N 15 123.83 0.30000 . 1 . . . A 68 PHE N . 19036 1 332 . 1 1 69 69 LEU H H 1 8.6618 0.03000 . 1 . . . A 69 LEU H . 19036 1 333 . 1 1 69 69 LEU HA H 1 3.3945 0.03000 . 1 . . . A 69 LEU HA . 19036 1 334 . 1 1 69 69 LEU CA C 13 58.042 0.30000 . 1 . . . A 69 LEU CA . 19036 1 335 . 1 1 69 69 LEU CB C 13 41.246 0.30000 . 1 . . . A 69 LEU CB . 19036 1 336 . 1 1 69 69 LEU N N 15 119.41 0.30000 . 1 . . . A 69 LEU N . 19036 1 337 . 1 1 70 70 THR H H 1 7.7435 0.03000 . 1 . . . A 70 THR H . 19036 1 338 . 1 1 70 70 THR HA H 1 3.7830 0.03000 . 1 . . . A 70 THR HA . 19036 1 339 . 1 1 70 70 THR CA C 13 66.623 0.30000 . 1 . . . A 70 THR CA . 19036 1 340 . 1 1 70 70 THR CB C 13 68.592 0.30000 . 1 . . . A 70 THR CB . 19036 1 341 . 1 1 70 70 THR N N 15 115.70 0.30000 . 1 . . . A 70 THR N . 19036 1 342 . 1 1 71 71 MET H H 1 7.6220 0.03000 . 1 . . . A 71 MET H . 19036 1 343 . 1 1 71 71 MET HA H 1 3.8885 0.03000 . 1 . . . A 71 MET HA . 19036 1 344 . 1 1 71 71 MET CA C 13 58.859 0.30000 . 1 . . . A 71 MET CA . 19036 1 345 . 1 1 71 71 MET CB C 13 32.676 0.30000 . 1 . . . A 71 MET CB . 19036 1 346 . 1 1 71 71 MET N N 15 121.35 0.30000 . 1 . . . A 71 MET N . 19036 1 347 . 1 1 72 72 MET H H 1 8.0658 0.03000 . 1 . . . A 72 MET H . 19036 1 348 . 1 1 72 72 MET HA H 1 3.9728 0.03000 . 1 . . . A 72 MET HA . 19036 1 349 . 1 1 72 72 MET CA C 13 56.030 0.30000 . 1 . . . A 72 MET CA . 19036 1 350 . 1 1 72 72 MET CB C 13 30.934 0.30000 . 1 . . . A 72 MET CB . 19036 1 351 . 1 1 72 72 MET N N 15 117.39 0.30000 . 1 . . . A 72 MET N . 19036 1 352 . 1 1 73 73 ALA H H 1 8.2760 0.03000 . 1 . . . A 73 ALA H . 19036 1 353 . 1 1 73 73 ALA HA H 1 4.1032 0.03000 . 1 . . . A 73 ALA HA . 19036 1 354 . 1 1 73 73 ALA CA C 13 54.517 0.30000 . 1 . . . A 73 ALA CA . 19036 1 355 . 1 1 73 73 ALA CB C 13 18.381 0.30000 . 1 . . . A 73 ALA CB . 19036 1 356 . 1 1 73 73 ALA N N 15 121.67 0.30000 . 1 . . . A 73 ALA N . 19036 1 357 . 1 1 74 74 ARG H H 1 7.5387 0.03000 . 1 . . . A 74 ARG H . 19036 1 358 . 1 1 74 74 ARG HA H 1 4.1129 0.03000 . 1 . . . A 74 ARG HA . 19036 1 359 . 1 1 74 74 ARG CA C 13 58.327 0.30000 . 1 . . . A 74 ARG CA . 19036 1 360 . 1 1 74 74 ARG CB C 13 30.378 0.30000 . 1 . . . A 74 ARG CB . 19036 1 361 . 1 1 74 74 ARG N N 15 117.22 0.30000 . 1 . . . A 74 ARG N . 19036 1 362 . 1 1 75 75 LYS H H 1 7.8326 0.03000 . 1 . . . A 75 LYS H . 19036 1 363 . 1 1 75 75 LYS HA H 1 4.2609 0.03000 . 1 . . . A 75 LYS HA . 19036 1 364 . 1 1 75 75 LYS CA C 13 56.990 0.30000 . 1 . . . A 75 LYS CA . 19036 1 365 . 1 1 75 75 LYS CB C 13 32.412 0.30000 . 1 . . . A 75 LYS CB . 19036 1 366 . 1 1 75 75 LYS N N 15 119.12 0.30000 . 1 . . . A 75 LYS N . 19036 1 367 . 1 1 76 76 MET H H 1 8.0000 0.03000 . 1 . . . A 76 MET H . 19036 1 368 . 1 1 76 76 MET HA H 1 4.3699 0.03000 . 1 . . . A 76 MET HA . 19036 1 369 . 1 1 76 76 MET CA C 13 56.700 0.30000 . 1 . . . A 76 MET CA . 19036 1 370 . 1 1 76 76 MET CB C 13 32.981 0.30000 . 1 . . . A 76 MET CB . 19036 1 371 . 1 1 76 76 MET N N 15 118.86 0.30000 . 1 . . . A 76 MET N . 19036 1 372 . 1 1 77 77 LYS H H 1 7.8662 0.03000 . 1 . . . A 77 LYS H . 19036 1 373 . 1 1 77 77 LYS HA H 1 4.3521 0.03000 . 1 . . . A 77 LYS HA . 19036 1 374 . 1 1 77 77 LYS CA C 13 56.709 0.30000 . 1 . . . A 77 LYS CA . 19036 1 375 . 1 1 77 77 LYS CB C 13 33.138 0.30000 . 1 . . . A 77 LYS CB . 19036 1 376 . 1 1 77 77 LYS N N 15 120.20 0.30000 . 1 . . . A 77 LYS N . 19036 1 377 . 1 1 78 78 ASP H H 1 8.2497 0.03000 . 1 . . . A 78 ASP H . 19036 1 378 . 1 1 78 78 ASP HA H 1 4.6911 0.03000 . 1 . . . A 78 ASP HA . 19036 1 379 . 1 1 78 78 ASP CA C 13 54.771 0.30000 . 1 . . . A 78 ASP CA . 19036 1 380 . 1 1 78 78 ASP CB C 13 41.222 0.30000 . 1 . . . A 78 ASP CB . 19036 1 381 . 1 1 78 78 ASP N N 15 121.43 0.30000 . 1 . . . A 78 ASP N . 19036 1 382 . 1 1 79 79 THR H H 1 8.0932 0.03000 . 1 . . . A 79 THR H . 19036 1 383 . 1 1 79 79 THR HA H 1 4.3371 0.03000 . 1 . . . A 79 THR HA . 19036 1 384 . 1 1 79 79 THR CA C 13 62.349 0.30000 . 1 . . . A 79 THR CA . 19036 1 385 . 1 1 79 79 THR CB C 13 69.875 0.30000 . 1 . . . A 79 THR CB . 19036 1 386 . 1 1 79 79 THR N N 15 114.39 0.30000 . 1 . . . A 79 THR N . 19036 1 387 . 1 1 80 80 ASP H H 1 8.4546 0.03000 . 1 . . . A 80 ASP H . 19036 1 388 . 1 1 80 80 ASP HA H 1 4.7210 0.03000 . 1 . . . A 80 ASP HA . 19036 1 389 . 1 1 80 80 ASP CA C 13 54.655 0.30000 . 1 . . . A 80 ASP CA . 19036 1 390 . 1 1 80 80 ASP CB C 13 41.416 0.30000 . 1 . . . A 80 ASP CB . 19036 1 391 . 1 1 80 80 ASP N N 15 123.46 0.30000 . 1 . . . A 80 ASP N . 19036 1 392 . 1 1 81 81 SER H H 1 8.5046 0.03000 . 1 . . . A 81 SER H . 19036 1 393 . 1 1 81 81 SER HA H 1 4.4546 0.03000 . 1 . . . A 81 SER HA . 19036 1 394 . 1 1 81 81 SER CA C 13 59.571 0.30000 . 1 . . . A 81 SER CA . 19036 1 395 . 1 1 81 81 SER CB C 13 63.825 0.30000 . 1 . . . A 81 SER CB . 19036 1 396 . 1 1 81 81 SER N N 15 117.44 0.30000 . 1 . . . A 81 SER N . 19036 1 397 . 1 1 82 82 GLU H H 1 8.5077 0.03000 . 1 . . . A 82 GLU H . 19036 1 398 . 1 1 82 82 GLU HA H 1 4.1849 0.03000 . 1 . . . A 82 GLU HA . 19036 1 399 . 1 1 82 82 GLU CA C 13 58.800 0.30000 . 1 . . . A 82 GLU CA . 19036 1 400 . 1 1 82 82 GLU CB C 13 29.660 0.30000 . 1 . . . A 82 GLU CB . 19036 1 401 . 1 1 82 82 GLU N N 15 122.38 0.30000 . 1 . . . A 82 GLU N . 19036 1 402 . 1 1 83 83 GLU H H 1 8.2968 0.03000 . 1 . . . A 83 GLU H . 19036 1 403 . 1 1 83 83 GLU HA H 1 4.0849 0.03000 . 1 . . . A 83 GLU HA . 19036 1 404 . 1 1 83 83 GLU CA C 13 59.576 0.30000 . 1 . . . A 83 GLU CA . 19036 1 405 . 1 1 83 83 GLU CB C 13 29.410 0.30000 . 1 . . . A 83 GLU CB . 19036 1 406 . 1 1 83 83 GLU N N 15 119.67 0.30000 . 1 . . . A 83 GLU N . 19036 1 407 . 1 1 84 84 GLU H H 1 8.2180 0.03000 . 1 . . . A 84 GLU H . 19036 1 408 . 1 1 84 84 GLU HA H 1 4.1345 0.03000 . 1 . . . A 84 GLU HA . 19036 1 409 . 1 1 84 84 GLU CA C 13 59.523 0.30000 . 1 . . . A 84 GLU CA . 19036 1 410 . 1 1 84 84 GLU CB C 13 29.607 0.30000 . 1 . . . A 84 GLU CB . 19036 1 411 . 1 1 84 84 GLU N N 15 118.70 0.30000 . 1 . . . A 84 GLU N . 19036 1 412 . 1 1 85 85 ILE H H 1 7.9800 0.03000 . 1 . . . A 85 ILE H . 19036 1 413 . 1 1 85 85 ILE HA H 1 3.9806 0.03000 . 1 . . . A 85 ILE HA . 19036 1 414 . 1 1 85 85 ILE CA C 13 64.941 0.30000 . 1 . . . A 85 ILE CA . 19036 1 415 . 1 1 85 85 ILE CB C 13 37.484 0.30000 . 1 . . . A 85 ILE CB . 19036 1 416 . 1 1 85 85 ILE N N 15 121.50 0.30000 . 1 . . . A 85 ILE N . 19036 1 417 . 1 1 86 86 ARG H H 1 8.4707 0.03000 . 1 . . . A 86 ARG H . 19036 1 418 . 1 1 86 86 ARG HA H 1 4.1856 0.03000 . 1 . . . A 86 ARG HA . 19036 1 419 . 1 1 86 86 ARG CA C 13 60.202 0.30000 . 1 . . . A 86 ARG CA . 19036 1 420 . 1 1 86 86 ARG CB C 13 30.026 0.30000 . 1 . . . A 86 ARG CB . 19036 1 421 . 1 1 86 86 ARG N N 15 121.71 0.30000 . 1 . . . A 86 ARG N . 19036 1 422 . 1 1 87 87 GLU H H 1 8.2106 0.03000 . 1 . . . A 87 GLU H . 19036 1 423 . 1 1 87 87 GLU HA H 1 4.1789 0.03000 . 1 . . . A 87 GLU HA . 19036 1 424 . 1 1 87 87 GLU CA C 13 58.995 0.30000 . 1 . . . A 87 GLU CA . 19036 1 425 . 1 1 87 87 GLU CB C 13 29.201 0.30000 . 1 . . . A 87 GLU CB . 19036 1 426 . 1 1 87 87 GLU N N 15 118.71 0.30000 . 1 . . . A 87 GLU N . 19036 1 427 . 1 1 88 88 ALA H H 1 8.0375 0.03000 . 1 . . . A 88 ALA H . 19036 1 428 . 1 1 88 88 ALA HA H 1 4.1803 0.03000 . 1 . . . A 88 ALA HA . 19036 1 429 . 1 1 88 88 ALA CA C 13 55.275 0.30000 . 1 . . . A 88 ALA CA . 19036 1 430 . 1 1 88 88 ALA CB C 13 17.936 0.30000 . 1 . . . A 88 ALA CB . 19036 1 431 . 1 1 88 88 ALA N N 15 121.91 0.30000 . 1 . . . A 88 ALA N . 19036 1 432 . 1 1 89 89 PHE H H 1 8.6230 0.03000 . 1 . . . A 89 PHE H . 19036 1 433 . 1 1 89 89 PHE HA H 1 3.1885 0.03000 . 1 . . . A 89 PHE HA . 19036 1 434 . 1 1 89 89 PHE CA C 13 62.283 0.30000 . 1 . . . A 89 PHE CA . 19036 1 435 . 1 1 89 89 PHE CB C 13 39.238 0.30000 . 1 . . . A 89 PHE CB . 19036 1 436 . 1 1 89 89 PHE N N 15 118.79 0.30000 . 1 . . . A 89 PHE N . 19036 1 437 . 1 1 90 90 ARG H H 1 7.7749 0.03000 . 1 . . . A 90 ARG H . 19036 1 438 . 1 1 90 90 ARG HA H 1 3.9060 0.03000 . 1 . . . A 90 ARG HA . 19036 1 439 . 1 1 90 90 ARG CA C 13 58.950 0.30000 . 1 . . . A 90 ARG CA . 19036 1 440 . 1 1 90 90 ARG CB C 13 30.414 0.30000 . 1 . . . A 90 ARG CB . 19036 1 441 . 1 1 90 90 ARG N N 15 115.89 0.30000 . 1 . . . A 90 ARG N . 19036 1 442 . 1 1 91 91 VAL H H 1 7.5385 0.03000 . 1 . . . A 91 VAL H . 19036 1 443 . 1 1 91 91 VAL HA H 1 3.5149 0.03000 . 1 . . . A 91 VAL HA . 19036 1 444 . 1 1 91 91 VAL CA C 13 65.726 0.30000 . 1 . . . A 91 VAL CA . 19036 1 445 . 1 1 91 91 VAL CB C 13 31.579 0.30000 . 1 . . . A 91 VAL CB . 19036 1 446 . 1 1 91 91 VAL N N 15 118.32 0.30000 . 1 . . . A 91 VAL N . 19036 1 447 . 1 1 92 92 PHE H H 1 7.3815 0.03000 . 1 . . . A 92 PHE H . 19036 1 448 . 1 1 92 92 PHE HA H 1 4.2472 0.03000 . 1 . . . A 92 PHE HA . 19036 1 449 . 1 1 92 92 PHE CA C 13 60.241 0.30000 . 1 . . . A 92 PHE CA . 19036 1 450 . 1 1 92 92 PHE CB C 13 40.951 0.30000 . 1 . . . A 92 PHE CB . 19036 1 451 . 1 1 92 92 PHE N N 15 115.75 0.30000 . 1 . . . A 92 PHE N . 19036 1 452 . 1 1 93 93 ASP H H 1 7.8997 0.03000 . 1 . . . A 93 ASP H . 19036 1 453 . 1 1 93 93 ASP HA H 1 4.5899 0.03000 . 1 . . . A 93 ASP HA . 19036 1 454 . 1 1 93 93 ASP CA C 13 52.466 0.30000 . 1 . . . A 93 ASP CA . 19036 1 455 . 1 1 93 93 ASP CB C 13 38.478 0.30000 . 1 . . . A 93 ASP CB . 19036 1 456 . 1 1 93 93 ASP N N 15 116.59 0.30000 . 1 . . . A 93 ASP N . 19036 1 457 . 1 1 94 94 LYS H H 1 7.7899 0.03000 . 1 . . . A 94 LYS H . 19036 1 458 . 1 1 94 94 LYS HA H 1 3.9454 0.03000 . 1 . . . A 94 LYS HA . 19036 1 459 . 1 1 94 94 LYS CA C 13 59.072 0.30000 . 1 . . . A 94 LYS CA . 19036 1 460 . 1 1 94 94 LYS CB C 13 32.589 0.30000 . 1 . . . A 94 LYS CB . 19036 1 461 . 1 1 94 94 LYS N N 15 126.16 0.30000 . 1 . . . A 94 LYS N . 19036 1 462 . 1 1 95 95 ASP H H 1 8.2372 0.03000 . 1 . . . A 95 ASP H . 19036 1 463 . 1 1 95 95 ASP HA H 1 4.5785 0.03000 . 1 . . . A 95 ASP HA . 19036 1 464 . 1 1 95 95 ASP CA C 13 53.120 0.30000 . 1 . . . A 95 ASP CA . 19036 1 465 . 1 1 95 95 ASP CB C 13 40.043 0.30000 . 1 . . . A 95 ASP CB . 19036 1 466 . 1 1 95 95 ASP N N 15 114.06 0.30000 . 1 . . . A 95 ASP N . 19036 1 467 . 1 1 96 96 GLY H H 1 7.8391 0.03000 . 1 . . . A 96 GLY H . 19036 1 468 . 1 1 96 96 GLY HA2 H 1 3.8258 0.03000 . 2 . . . A 96 GLY HA2 . 19036 1 469 . 1 1 96 96 GLY HA3 H 1 3.8200 0.03000 . 2 . . . A 96 GLY HA3 . 19036 1 470 . 1 1 96 96 GLY CA C 13 47.263 0.30000 . 1 . . . A 96 GLY CA . 19036 1 471 . 1 1 96 96 GLY N N 15 109.41 0.30000 . 1 . . . A 96 GLY N . 19036 1 472 . 1 1 97 97 ASN H H 1 8.3768 0.03000 . 1 . . . A 97 ASN H . 19036 1 473 . 1 1 97 97 ASN HA H 1 4.6587 0.03000 . 1 . . . A 97 ASN HA . 19036 1 474 . 1 1 97 97 ASN CA C 13 52.681 0.30000 . 1 . . . A 97 ASN CA . 19036 1 475 . 1 1 97 97 ASN CB C 13 38.311 0.30000 . 1 . . . A 97 ASN CB . 19036 1 476 . 1 1 97 97 ASN N N 15 119.63 0.30000 . 1 . . . A 97 ASN N . 19036 1 477 . 1 1 98 98 GLY H H 1 10.687 0.03000 . 1 . . . A 98 GLY H . 19036 1 478 . 1 1 98 98 GLY HA2 H 1 3.4730 0.03000 . 2 . . . A 98 GLY HA2 . 19036 1 479 . 1 1 98 98 GLY HA3 H 1 4.0922 0.03000 . 2 . . . A 98 GLY HA3 . 19036 1 480 . 1 1 98 98 GLY CA C 13 45.183 0.30000 . 1 . . . A 98 GLY CA . 19036 1 481 . 1 1 98 98 GLY N N 15 112.97 0.30000 . 1 . . . A 98 GLY N . 19036 1 482 . 1 1 99 99 TYR H H 1 7.6712 0.03000 . 1 . . . A 99 TYR H . 19036 1 483 . 1 1 99 99 TYR HA H 1 5.0652 0.03000 . 1 . . . A 99 TYR HA . 19036 1 484 . 1 1 99 99 TYR CA C 13 56.198 0.30000 . 1 . . . A 99 TYR CA . 19036 1 485 . 1 1 99 99 TYR CB C 13 43.110 0.30000 . 1 . . . A 99 TYR CB . 19036 1 486 . 1 1 99 99 TYR N N 15 116.08 0.30000 . 1 . . . A 99 TYR N . 19036 1 487 . 1 1 100 100 ILE H H 1 10.163 0.03000 . 1 . . . A 100 ILE H . 19036 1 488 . 1 1 100 100 ILE HA H 1 4.7801 0.03000 . 1 . . . A 100 ILE HA . 19036 1 489 . 1 1 100 100 ILE CA C 13 60.731 0.30000 . 1 . . . A 100 ILE CA . 19036 1 490 . 1 1 100 100 ILE CB C 13 39.050 0.30000 . 1 . . . A 100 ILE CB . 19036 1 491 . 1 1 100 100 ILE N N 15 127.32 0.30000 . 1 . . . A 100 ILE N . 19036 1 492 . 1 1 101 101 SER H H 1 8.9705 0.03000 . 1 . . . A 101 SER H . 19036 1 493 . 1 1 101 101 SER HA H 1 4.8977 0.03000 . 1 . . . A 101 SER HA . 19036 1 494 . 1 1 101 101 SER CA C 13 55.840 0.30000 . 1 . . . A 101 SER CA . 19036 1 495 . 1 1 101 101 SER CB C 13 66.799 0.30000 . 1 . . . A 101 SER CB . 19036 1 496 . 1 1 101 101 SER N N 15 123.81 0.30000 . 1 . . . A 101 SER N . 19036 1 497 . 1 1 102 102 ALA H H 1 9.2694 0.03000 . 1 . . . A 102 ALA H . 19036 1 498 . 1 1 102 102 ALA HA H 1 3.9271 0.03000 . 1 . . . A 102 ALA HA . 19036 1 499 . 1 1 102 102 ALA CA C 13 56.023 0.30000 . 1 . . . A 102 ALA CA . 19036 1 500 . 1 1 102 102 ALA CB C 13 18.139 0.30000 . 1 . . . A 102 ALA CB . 19036 1 501 . 1 1 102 102 ALA N N 15 123.13 0.30000 . 1 . . . A 102 ALA N . 19036 1 502 . 1 1 103 103 ALA H H 1 8.2940 0.03000 . 1 . . . A 103 ALA H . 19036 1 503 . 1 1 103 103 ALA HA H 1 4.0578 0.03000 . 1 . . . A 103 ALA HA . 19036 1 504 . 1 1 103 103 ALA CA C 13 55.250 0.30000 . 1 . . . A 103 ALA CA . 19036 1 505 . 1 1 103 103 ALA CB C 13 18.492 0.30000 . 1 . . . A 103 ALA CB . 19036 1 506 . 1 1 103 103 ALA N N 15 118.46 0.30000 . 1 . . . A 103 ALA N . 19036 1 507 . 1 1 104 104 GLU H H 1 7.9385 0.03000 . 1 . . . A 104 GLU H . 19036 1 508 . 1 1 104 104 GLU HA H 1 4.0728 0.03000 . 1 . . . A 104 GLU HA . 19036 1 509 . 1 1 104 104 GLU CA C 13 59.567 0.30000 . 1 . . . A 104 GLU CA . 19036 1 510 . 1 1 104 104 GLU CB C 13 29.262 0.30000 . 1 . . . A 104 GLU CB . 19036 1 511 . 1 1 104 104 GLU N N 15 120.07 0.30000 . 1 . . . A 104 GLU N . 19036 1 512 . 1 1 105 105 LEU H H 1 8.5338 0.03000 . 1 . . . A 105 LEU H . 19036 1 513 . 1 1 105 105 LEU HA H 1 4.1329 0.03000 . 1 . . . A 105 LEU HA . 19036 1 514 . 1 1 105 105 LEU CA C 13 58.618 0.30000 . 1 . . . A 105 LEU CA . 19036 1 515 . 1 1 105 105 LEU CB C 13 42.210 0.30000 . 1 . . . A 105 LEU CB . 19036 1 516 . 1 1 105 105 LEU N N 15 120.99 0.30000 . 1 . . . A 105 LEU N . 19036 1 517 . 1 1 106 106 ARG H H 1 8.6674 0.03000 . 1 . . . A 106 ARG H . 19036 1 518 . 1 1 106 106 ARG HA H 1 3.8315 0.03000 . 1 . . . A 106 ARG HA . 19036 1 519 . 1 1 106 106 ARG CA C 13 60.041 0.30000 . 1 . . . A 106 ARG CA . 19036 1 520 . 1 1 106 106 ARG CB C 13 30.648 0.30000 . 1 . . . A 106 ARG CB . 19036 1 521 . 1 1 106 106 ARG N N 15 117.58 0.30000 . 1 . . . A 106 ARG N . 19036 1 522 . 1 1 107 107 HIS H H 1 8.0707 0.03000 . 1 . . . A 107 HIS H . 19036 1 523 . 1 1 107 107 HIS HA H 1 4.3381 0.03000 . 1 . . . A 107 HIS HA . 19036 1 524 . 1 1 107 107 HIS CA C 13 59.771 0.30000 . 1 . . . A 107 HIS CA . 19036 1 525 . 1 1 107 107 HIS CB C 13 30.491 0.30000 . 1 . . . A 107 HIS CB . 19036 1 526 . 1 1 107 107 HIS N N 15 118.88 0.30000 . 1 . . . A 107 HIS N . 19036 1 527 . 1 1 108 108 VAL H H 1 8.1074 0.03000 . 1 . . . A 108 VAL H . 19036 1 528 . 1 1 108 108 VAL HA H 1 3.5563 0.03000 . 1 . . . A 108 VAL HA . 19036 1 529 . 1 1 108 108 VAL CA C 13 66.580 0.30000 . 1 . . . A 108 VAL CA . 19036 1 530 . 1 1 108 108 VAL CB C 13 31.920 0.30000 . 1 . . . A 108 VAL CB . 19036 1 531 . 1 1 108 108 VAL N N 15 119.17 0.30000 . 1 . . . A 108 VAL N . 19036 1 532 . 1 1 109 109 MET H H 1 8.2799 0.03000 . 1 . . . A 109 MET H . 19036 1 533 . 1 1 109 109 MET HA H 1 4.3256 0.03000 . 1 . . . A 109 MET HA . 19036 1 534 . 1 1 109 109 MET CA C 13 57.824 0.30000 . 1 . . . A 109 MET CA . 19036 1 535 . 1 1 109 109 MET CB C 13 31.052 0.30000 . 1 . . . A 109 MET CB . 19036 1 536 . 1 1 109 109 MET N N 15 116.29 0.30000 . 1 . . . A 109 MET N . 19036 1 537 . 1 1 110 110 THR H H 1 8.2441 0.03000 . 1 . . . A 110 THR H . 19036 1 538 . 1 1 110 110 THR HA H 1 4.1658 0.03000 . 1 . . . A 110 THR HA . 19036 1 539 . 1 1 110 110 THR CA C 13 66.182 0.30000 . 1 . . . A 110 THR CA . 19036 1 540 . 1 1 110 110 THR CB C 13 68.951 0.30000 . 1 . . . A 110 THR CB . 19036 1 541 . 1 1 110 110 THR N N 15 115.19 0.30000 . 1 . . . A 110 THR N . 19036 1 542 . 1 1 111 111 ASN H H 1 7.9038 0.03000 . 1 . . . A 111 ASN H . 19036 1 543 . 1 1 111 111 ASN HA H 1 4.5025 0.03000 . 1 . . . A 111 ASN HA . 19036 1 544 . 1 1 111 111 ASN CA C 13 55.931 0.30000 . 1 . . . A 111 ASN CA . 19036 1 545 . 1 1 111 111 ASN CB C 13 38.585 0.30000 . 1 . . . A 111 ASN CB . 19036 1 546 . 1 1 111 111 ASN N N 15 122.31 0.30000 . 1 . . . A 111 ASN N . 19036 1 547 . 1 1 112 112 LEU H H 1 7.8725 0.03000 . 1 . . . A 112 LEU H . 19036 1 548 . 1 1 112 112 LEU HA H 1 4.3545 0.03000 . 1 . . . A 112 LEU HA . 19036 1 549 . 1 1 112 112 LEU CA C 13 55.274 0.30000 . 1 . . . A 112 LEU CA . 19036 1 550 . 1 1 112 112 LEU CB C 13 42.218 0.30000 . 1 . . . A 112 LEU CB . 19036 1 551 . 1 1 112 112 LEU N N 15 118.85 0.30000 . 1 . . . A 112 LEU N . 19036 1 552 . 1 1 113 113 GLY H H 1 7.8441 0.03000 . 1 . . . A 113 GLY H . 19036 1 553 . 1 1 113 113 GLY HA2 H 1 3.7440 0.30000 . 2 . . . A 113 GLY HA2 . 19036 1 554 . 1 1 113 113 GLY HA3 H 1 4.2373 0.03000 . 2 . . . A 113 GLY HA3 . 19036 1 555 . 1 1 113 113 GLY CA C 13 45.596 0.30000 . 1 . . . A 113 GLY CA . 19036 1 556 . 1 1 113 113 GLY N N 15 106.70 0.30000 . 1 . . . A 113 GLY N . 19036 1 557 . 1 1 114 114 GLU H H 1 7.9458 0.03000 . 1 . . . A 114 GLU H . 19036 1 558 . 1 1 114 114 GLU HA H 1 4.4594 0.03000 . 1 . . . A 114 GLU HA . 19036 1 559 . 1 1 114 114 GLU CA C 13 55.046 0.30000 . 1 . . . A 114 GLU CA . 19036 1 560 . 1 1 114 114 GLU CB C 13 30.469 0.30000 . 1 . . . A 114 GLU CB . 19036 1 561 . 1 1 114 114 GLU N N 15 120.14 0.30000 . 1 . . . A 114 GLU N . 19036 1 562 . 1 1 115 115 LYS H H 1 8.6462 0.03000 . 1 . . . A 115 LYS H . 19036 1 563 . 1 1 115 115 LYS HA H 1 4.3941 0.03000 . 1 . . . A 115 LYS HA . 19036 1 564 . 1 1 115 115 LYS CA C 13 55.794 0.30000 . 1 . . . A 115 LYS CA . 19036 1 565 . 1 1 115 115 LYS CB C 13 32.191 0.30000 . 1 . . . A 115 LYS CB . 19036 1 566 . 1 1 115 115 LYS N N 15 124.13 0.30000 . 1 . . . A 115 LYS N . 19036 1 567 . 1 1 116 116 LEU H H 1 8.0968 0.03000 . 1 . . . A 116 LEU H . 19036 1 568 . 1 1 116 116 LEU HA H 1 4.7933 0.03000 . 1 . . . A 116 LEU HA . 19036 1 569 . 1 1 116 116 LEU CA C 13 54.127 0.30000 . 1 . . . A 116 LEU CA . 19036 1 570 . 1 1 116 116 LEU CB C 13 44.934 0.30000 . 1 . . . A 116 LEU CB . 19036 1 571 . 1 1 116 116 LEU N N 15 124.84 0.30000 . 1 . . . A 116 LEU N . 19036 1 572 . 1 1 117 117 THR H H 1 9.2524 0.03000 . 1 . . . A 117 THR H . 19036 1 573 . 1 1 117 117 THR HA H 1 4.4919 0.03000 . 1 . . . A 117 THR HA . 19036 1 574 . 1 1 117 117 THR CA C 13 60.751 0.30000 . 1 . . . A 117 THR CA . 19036 1 575 . 1 1 117 117 THR CB C 13 71.303 0.30000 . 1 . . . A 117 THR CB . 19036 1 576 . 1 1 117 117 THR N N 15 114.69 0.30000 . 1 . . . A 117 THR N . 19036 1 577 . 1 1 118 118 ASP H H 1 8.9362 0.03000 . 1 . . . A 118 ASP H . 19036 1 578 . 1 1 118 118 ASP HA H 1 4.2322 0.03000 . 1 . . . A 118 ASP HA . 19036 1 579 . 1 1 118 118 ASP CA C 13 58.080 0.30000 . 1 . . . A 118 ASP CA . 19036 1 580 . 1 1 118 118 ASP CB C 13 39.870 0.30000 . 1 . . . A 118 ASP CB . 19036 1 581 . 1 1 118 118 ASP N N 15 121.13 0.30000 . 1 . . . A 118 ASP N . 19036 1 582 . 1 1 119 119 GLU H H 1 8.7152 0.03000 . 1 . . . A 119 GLU H . 19036 1 583 . 1 1 119 119 GLU HA H 1 4.1172 0.03000 . 1 . . . A 119 GLU HA . 19036 1 584 . 1 1 119 119 GLU CA C 13 60.043 0.30000 . 1 . . . A 119 GLU CA . 19036 1 585 . 1 1 119 119 GLU CB C 13 29.135 0.30000 . 1 . . . A 119 GLU CB . 19036 1 586 . 1 1 119 119 GLU N N 15 119.11 0.30000 . 1 . . . A 119 GLU N . 19036 1 587 . 1 1 120 120 GLU H H 1 7.8090 0.03000 . 1 . . . A 120 GLU H . 19036 1 588 . 1 1 120 120 GLU HA H 1 4.0621 0.03000 . 1 . . . A 120 GLU HA . 19036 1 589 . 1 1 120 120 GLU CA C 13 59.138 0.30000 . 1 . . . A 120 GLU CA . 19036 1 590 . 1 1 120 120 GLU CB C 13 30.420 0.30000 . 1 . . . A 120 GLU CB . 19036 1 591 . 1 1 120 120 GLU N N 15 120.68 0.30000 . 1 . . . A 120 GLU N . 19036 1 592 . 1 1 121 121 VAL H H 1 8.0789 0.03000 . 1 . . . A 121 VAL H . 19036 1 593 . 1 1 121 121 VAL HA H 1 3.6367 0.03000 . 1 . . . A 121 VAL HA . 19036 1 594 . 1 1 121 121 VAL CA C 13 67.003 0.30000 . 1 . . . A 121 VAL CA . 19036 1 595 . 1 1 121 121 VAL CB C 13 31.463 0.30000 . 1 . . . A 121 VAL CB . 19036 1 596 . 1 1 121 121 VAL N N 15 120.66 0.30000 . 1 . . . A 121 VAL N . 19036 1 597 . 1 1 122 122 ASP H H 1 8.1237 0.03000 . 1 . . . A 122 ASP H . 19036 1 598 . 1 1 122 122 ASP HA H 1 4.3495 0.03000 . 1 . . . A 122 ASP HA . 19036 1 599 . 1 1 122 122 ASP CA C 13 57.718 0.30000 . 1 . . . A 122 ASP CA . 19036 1 600 . 1 1 122 122 ASP CB C 13 40.593 0.30000 . 1 . . . A 122 ASP CB . 19036 1 601 . 1 1 122 122 ASP N N 15 119.59 0.30000 . 1 . . . A 122 ASP N . 19036 1 602 . 1 1 123 123 GLU H H 1 8.0336 0.03000 . 1 . . . A 123 GLU H . 19036 1 603 . 1 1 123 123 GLU HA H 1 4.0508 0.03000 . 1 . . . A 123 GLU HA . 19036 1 604 . 1 1 123 123 GLU CA C 13 59.144 0.30000 . 1 . . . A 123 GLU CA . 19036 1 605 . 1 1 123 123 GLU CB C 13 29.161 0.30000 . 1 . . . A 123 GLU CB . 19036 1 606 . 1 1 123 123 GLU N N 15 119.76 0.30000 . 1 . . . A 123 GLU N . 19036 1 607 . 1 1 124 124 MET H H 1 7.8706 0.03000 . 1 . . . A 124 MET H . 19036 1 608 . 1 1 124 124 MET HA H 1 4.0239 0.03000 . 1 . . . A 124 MET HA . 19036 1 609 . 1 1 124 124 MET CA C 13 59.353 0.30000 . 1 . . . A 124 MET CA . 19036 1 610 . 1 1 124 124 MET CB C 13 33.497 0.30000 . 1 . . . A 124 MET CB . 19036 1 611 . 1 1 124 124 MET N N 15 119.58 0.30000 . 1 . . . A 124 MET N . 19036 1 612 . 1 1 125 125 ILE H H 1 7.9530 0.03000 . 1 . . . A 125 ILE H . 19036 1 613 . 1 1 125 125 ILE HA H 1 3.5243 0.03000 . 1 . . . A 125 ILE HA . 19036 1 614 . 1 1 125 125 ILE CA C 13 63.855 0.30000 . 1 . . . A 125 ILE CA . 19036 1 615 . 1 1 125 125 ILE CB C 13 36.457 0.30000 . 1 . . . A 125 ILE CB . 19036 1 616 . 1 1 125 125 ILE N N 15 118.21 0.30000 . 1 . . . A 125 ILE N . 19036 1 617 . 1 1 126 126 ARG H H 1 8.2278 0.03000 . 1 . . . A 126 ARG H . 19036 1 618 . 1 1 126 126 ARG HA H 1 4.0377 0.03000 . 1 . . . A 126 ARG HA . 19036 1 619 . 1 1 126 126 ARG CA C 13 59.809 0.30000 . 1 . . . A 126 ARG CA . 19036 1 620 . 1 1 126 126 ARG CB C 13 30.311 0.30000 . 1 . . . A 126 ARG CB . 19036 1 621 . 1 1 126 126 ARG N N 15 118.42 0.30000 . 1 . . . A 126 ARG N . 19036 1 622 . 1 1 127 127 GLU H H 1 7.9500 0.03000 . 1 . . . A 127 GLU H . 19036 1 623 . 1 1 127 127 GLU HA H 1 4.0259 0.03000 . 1 . . . A 127 GLU HA . 19036 1 624 . 1 1 127 127 GLU CA C 13 58.489 0.30000 . 1 . . . A 127 GLU CA . 19036 1 625 . 1 1 127 127 GLU CB C 13 29.435 0.30000 . 1 . . . A 127 GLU CB . 19036 1 626 . 1 1 127 127 GLU N N 15 115.83 0.30000 . 1 . . . A 127 GLU N . 19036 1 627 . 1 1 128 128 ALA H H 1 7.3865 0.03000 . 1 . . . A 128 ALA H . 19036 1 628 . 1 1 128 128 ALA HA H 1 4.4438 0.03000 . 1 . . . A 128 ALA HA . 19036 1 629 . 1 1 128 128 ALA CA C 13 52.125 0.30000 . 1 . . . A 128 ALA CA . 19036 1 630 . 1 1 128 128 ALA CB C 13 21.322 0.30000 . 1 . . . A 128 ALA CB . 19036 1 631 . 1 1 128 128 ALA N N 15 119.01 0.30000 . 1 . . . A 128 ALA N . 19036 1 632 . 1 1 129 129 ASP H H 1 7.9126 0.03000 . 1 . . . A 129 ASP H . 19036 1 633 . 1 1 129 129 ASP HA H 1 4.5165 0.03000 . 1 . . . A 129 ASP HA . 19036 1 634 . 1 1 129 129 ASP CA C 13 54.190 0.30000 . 1 . . . A 129 ASP CA . 19036 1 635 . 1 1 129 129 ASP CB C 13 40.587 0.30000 . 1 . . . A 129 ASP CB . 19036 1 636 . 1 1 129 129 ASP N N 15 117.79 0.30000 . 1 . . . A 129 ASP N . 19036 1 637 . 1 1 130 130 ILE H H 1 8.3319 0.03000 . 1 . . . A 130 ILE H . 19036 1 638 . 1 1 130 130 ILE HA H 1 3.9385 0.03000 . 1 . . . A 130 ILE HA . 19036 1 639 . 1 1 130 130 ILE CA C 13 63.431 0.30000 . 1 . . . A 130 ILE CA . 19036 1 640 . 1 1 130 130 ILE CB C 13 38.748 0.30000 . 1 . . . A 130 ILE CB . 19036 1 641 . 1 1 130 130 ILE N N 15 127.77 0.30000 . 1 . . . A 130 ILE N . 19036 1 642 . 1 1 131 131 ASP H H 1 8.3711 0.03000 . 1 . . . A 131 ASP H . 19036 1 643 . 1 1 131 131 ASP HA H 1 4.4932 0.03000 . 1 . . . A 131 ASP HA . 19036 1 644 . 1 1 131 131 ASP CA C 13 53.734 0.30000 . 1 . . . A 131 ASP CA . 19036 1 645 . 1 1 131 131 ASP CB C 13 40.062 0.30000 . 1 . . . A 131 ASP CB . 19036 1 646 . 1 1 131 131 ASP N N 15 116.68 0.30000 . 1 . . . A 131 ASP N . 19036 1 647 . 1 1 132 132 GLY H H 1 7.6363 0.03000 . 1 . . . A 132 GLY H . 19036 1 648 . 1 1 132 132 GLY HA2 H 1 3.8380 0.03000 . 2 . . . A 132 GLY HA2 . 19036 1 649 . 1 1 132 132 GLY HA3 H 1 4.0038 0.03000 . 2 . . . A 132 GLY HA3 . 19036 1 650 . 1 1 132 132 GLY CA C 13 47.587 0.30000 . 1 . . . A 132 GLY CA . 19036 1 651 . 1 1 132 132 GLY N N 15 108.68 0.30000 . 1 . . . A 132 GLY N . 19036 1 652 . 1 1 133 133 ASP H H 1 8.3782 0.03000 . 1 . . . A 133 ASP H . 19036 1 653 . 1 1 133 133 ASP HA H 1 4.5300 0.03000 . 1 . . . A 133 ASP HA . 19036 1 654 . 1 1 133 133 ASP CA C 13 53.845 0.30000 . 1 . . . A 133 ASP CA . 19036 1 655 . 1 1 133 133 ASP CB C 13 40.322 0.30000 . 1 . . . A 133 ASP CB . 19036 1 656 . 1 1 133 133 ASP N N 15 120.93 0.30000 . 1 . . . A 133 ASP N . 19036 1 657 . 1 1 134 134 GLY H H 1 10.401 0.03000 . 1 . . . A 134 GLY H . 19036 1 658 . 1 1 134 134 GLY HA2 H 1 3.4430 0.03000 . 2 . . . A 134 GLY HA2 . 19036 1 659 . 1 1 134 134 GLY HA3 H 1 4.0624 0.03000 . 2 . . . A 134 GLY HA3 . 19036 1 660 . 1 1 134 134 GLY CA C 13 45.855 0.30000 . 1 . . . A 134 GLY CA . 19036 1 661 . 1 1 134 134 GLY N N 15 112.99 0.30000 . 1 . . . A 134 GLY N . 19036 1 662 . 1 1 135 135 GLN H H 1 8.0067 0.03000 . 1 . . . A 135 GLN H . 19036 1 663 . 1 1 135 135 GLN HA H 1 4.8868 0.03000 . 1 . . . A 135 GLN HA . 19036 1 664 . 1 1 135 135 GLN CA C 13 53.289 0.30000 . 1 . . . A 135 GLN CA . 19036 1 665 . 1 1 135 135 GLN CB C 13 32.515 0.30000 . 1 . . . A 135 GLN CB . 19036 1 666 . 1 1 135 135 GLN N N 15 115.49 0.30000 . 1 . . . A 135 GLN N . 19036 1 667 . 1 1 136 136 VAL H H 1 9.1666 0.03000 . 1 . . . A 136 VAL H . 19036 1 668 . 1 1 136 136 VAL HA H 1 5.2134 0.03000 . 1 . . . A 136 VAL HA . 19036 1 669 . 1 1 136 136 VAL CA C 13 61.784 0.30000 . 1 . . . A 136 VAL CA . 19036 1 670 . 1 1 136 136 VAL CB C 13 33.839 0.30000 . 1 . . . A 136 VAL CB . 19036 1 671 . 1 1 136 136 VAL N N 15 125.48 0.30000 . 1 . . . A 136 VAL N . 19036 1 672 . 1 1 137 137 ASN H H 1 9.5758 0.03000 . 1 . . . A 137 ASN H . 19036 1 673 . 1 1 137 137 ASN HA H 1 5.2880 0.03000 . 1 . . . A 137 ASN HA . 19036 1 674 . 1 1 137 137 ASN CA C 13 51.176 0.30000 . 1 . . . A 137 ASN CA . 19036 1 675 . 1 1 137 137 ASN CB C 13 38.446 0.30000 . 1 . . . A 137 ASN CB . 19036 1 676 . 1 1 137 137 ASN N N 15 129.14 0.30000 . 1 . . . A 137 ASN N . 19036 1 677 . 1 1 138 138 TYR H H 1 8.4641 0.03000 . 1 . . . A 138 TYR H . 19036 1 678 . 1 1 138 138 TYR HA H 1 3.4563 0.03000 . 1 . . . A 138 TYR HA . 19036 1 679 . 1 1 138 138 TYR CA C 13 62.842 0.30000 . 1 . . . A 138 TYR CA . 19036 1 680 . 1 1 138 138 TYR CB C 13 37.805 0.30000 . 1 . . . A 138 TYR CB . 19036 1 681 . 1 1 138 138 TYR N N 15 118.60 0.30000 . 1 . . . A 138 TYR N . 19036 1 682 . 1 1 139 139 GLU H H 1 8.1521 0.03000 . 1 . . . A 139 GLU H . 19036 1 683 . 1 1 139 139 GLU HA H 1 3.6860 0.03000 . 1 . . . A 139 GLU HA . 19036 1 684 . 1 1 139 139 GLU CA C 13 60.456 0.30000 . 1 . . . A 139 GLU CA . 19036 1 685 . 1 1 139 139 GLU CB C 13 29.008 0.30000 . 1 . . . A 139 GLU CB . 19036 1 686 . 1 1 139 139 GLU N N 15 118.47 0.30000 . 1 . . . A 139 GLU N . 19036 1 687 . 1 1 140 140 GLU H H 1 8.8145 0.03000 . 1 . . . A 140 GLU H . 19036 1 688 . 1 1 140 140 GLU HA H 1 4.0253 0.03000 . 1 . . . A 140 GLU HA . 19036 1 689 . 1 1 140 140 GLU CA C 13 58.655 0.30000 . 1 . . . A 140 GLU CA . 19036 1 690 . 1 1 140 140 GLU CB C 13 29.868 0.30000 . 1 . . . A 140 GLU CB . 19036 1 691 . 1 1 140 140 GLU N N 15 119.97 0.30000 . 1 . . . A 140 GLU N . 19036 1 692 . 1 1 141 141 PHE H H 1 8.9271 0.03000 . 1 . . . A 141 PHE H . 19036 1 693 . 1 1 141 141 PHE HA H 1 4.0000 0.03000 . 1 . . . A 141 PHE HA . 19036 1 694 . 1 1 141 141 PHE CA C 13 61.733 0.30000 . 1 . . . A 141 PHE CA . 19036 1 695 . 1 1 141 141 PHE CB C 13 40.089 0.30000 . 1 . . . A 141 PHE CB . 19036 1 696 . 1 1 141 141 PHE N N 15 124.86 0.30000 . 1 . . . A 141 PHE N . 19036 1 697 . 1 1 142 142 VAL H H 1 8.6353 0.03000 . 1 . . . A 142 VAL H . 19036 1 698 . 1 1 142 142 VAL HA H 1 3.1520 0.03000 . 1 . . . A 142 VAL HA . 19036 1 699 . 1 1 142 142 VAL CA C 13 67.139 0.30000 . 1 . . . A 142 VAL CA . 19036 1 700 . 1 1 142 142 VAL CB C 13 31.622 0.30000 . 1 . . . A 142 VAL CB . 19036 1 701 . 1 1 142 142 VAL N N 15 119.40 0.30000 . 1 . . . A 142 VAL N . 19036 1 702 . 1 1 143 143 GLN H H 1 7.5160 0.03000 . 1 . . . A 143 GLN H . 19036 1 703 . 1 1 143 143 GLN HA H 1 3.9019 0.03000 . 1 . . . A 143 GLN HA . 19036 1 704 . 1 1 143 143 GLN CA C 13 58.894 0.30000 . 1 . . . A 143 GLN CA . 19036 1 705 . 1 1 143 143 GLN CB C 13 28.186 0.30000 . 1 . . . A 143 GLN CB . 19036 1 706 . 1 1 143 143 GLN N N 15 118.42 0.30000 . 1 . . . A 143 GLN N . 19036 1 707 . 1 1 144 144 MET H H 1 7.8674 0.03000 . 1 . . . A 144 MET H . 19036 1 708 . 1 1 144 144 MET HA H 1 4.1129 0.03000 . 1 . . . A 144 MET HA . 19036 1 709 . 1 1 144 144 MET CA C 13 58.360 0.30000 . 1 . . . A 144 MET CA . 19036 1 710 . 1 1 144 144 MET CB C 13 33.188 0.30000 . 1 . . . A 144 MET CB . 19036 1 711 . 1 1 144 144 MET N N 15 119.41 0.30000 . 1 . . . A 144 MET N . 19036 1 712 . 1 1 145 145 MET H H 1 7.7956 0.03000 . 1 . . . A 145 MET H . 19036 1 713 . 1 1 145 145 MET HA H 1 4.2635 0.03000 . 1 . . . A 145 MET HA . 19036 1 714 . 1 1 145 145 MET CA C 13 55.607 0.30000 . 1 . . . A 145 MET CA . 19036 1 715 . 1 1 145 145 MET CB C 13 32.224 0.30000 . 1 . . . A 145 MET CB . 19036 1 716 . 1 1 145 145 MET N N 15 114.77 0.30000 . 1 . . . A 145 MET N . 19036 1 717 . 1 1 146 146 THR H H 1 7.5911 0.03000 . 1 . . . A 146 THR H . 19036 1 718 . 1 1 146 146 THR HA H 1 4.3251 0.03000 . 1 . . . A 146 THR HA . 19036 1 719 . 1 1 146 146 THR CA C 13 62.420 0.30000 . 1 . . . A 146 THR CA . 19036 1 720 . 1 1 146 146 THR CB C 13 70.327 0.30000 . 1 . . . A 146 THR CB . 19036 1 721 . 1 1 146 146 THR N N 15 111.50 0.30000 . 1 . . . A 146 THR N . 19036 1 722 . 1 1 147 147 ALA H H 1 7.8266 0.03000 . 1 . . . A 147 ALA H . 19036 1 723 . 1 1 147 147 ALA HA H 1 4.3192 0.03000 . 1 . . . A 147 ALA HA . 19036 1 724 . 1 1 147 147 ALA CA C 13 52.991 0.30000 . 1 . . . A 147 ALA CA . 19036 1 725 . 1 1 147 147 ALA CB C 13 19.162 0.30000 . 1 . . . A 147 ALA CB . 19036 1 726 . 1 1 147 147 ALA N N 15 127.11 0.30000 . 1 . . . A 147 ALA N . 19036 1 727 . 1 1 148 148 LYS H H 1 7.8559 0.03000 . 1 . . . A 148 LYS H . 19036 1 728 . 1 1 148 148 LYS HA H 1 4.1595 0.03000 . 1 . . . A 148 LYS HA . 19036 1 729 . 1 1 148 148 LYS CA C 13 57.542 0.30000 . 1 . . . A 148 LYS CA . 19036 1 730 . 1 1 148 148 LYS CB C 13 33.828 0.30000 . 1 . . . A 148 LYS CB . 19036 1 731 . 1 1 148 148 LYS N N 15 125.92 0.30000 . 1 . . . A 148 LYS N . 19036 1 732 . 2 2 1 1 MET H H 1 8.8539 0.03000 . 1 . . . . 201 MET H . 19036 1 733 . 2 2 1 1 MET HA H 1 4.2770 0.03000 . 1 . . . . 201 MET HA . 19036 1 734 . 2 2 1 1 MET CA C 13 57.995 0.30000 . 1 . . . . 201 MET CA . 19036 1 735 . 2 2 1 1 MET CB C 13 33.086 0.30000 . 1 . . . . 201 MET CB . 19036 1 736 . 2 2 1 1 MET N N 15 126.64 0.30000 . 1 . . . . 201 MET N . 19036 1 737 . 2 2 2 2 ASP H H 1 8.7939 0.03000 . 1 . . . . 202 ASP H . 19036 1 738 . 2 2 2 2 ASP HA H 1 4.3000 0.03000 . 1 . . . . 202 ASP HA . 19036 1 739 . 2 2 3 3 VAL H H 1 7.7081 0.03000 . 1 . . . . 203 VAL H . 19036 1 740 . 2 2 3 3 VAL HA H 1 3.7090 0.03000 . 1 . . . . 203 VAL HA . 19036 1 741 . 2 2 3 3 VAL CA C 13 65.391 0.30000 . 1 . . . . 203 VAL CA . 19036 1 742 . 2 2 3 3 VAL CB C 13 32.060 0.30000 . 1 . . . . 203 VAL CB . 19036 1 743 . 2 2 3 3 VAL N N 15 120.16 0.30000 . 1 . . . . 203 VAL N . 19036 1 744 . 2 2 4 4 PHE H H 1 7.9138 0.03000 . 1 . . . . 204 PHE H . 19036 1 745 . 2 2 4 4 PHE HA H 1 4.3960 0.03000 . 1 . . . . 204 PHE HA . 19036 1 746 . 2 2 4 4 PHE CA C 13 60.690 0.30000 . 1 . . . . 204 PHE CA . 19036 1 747 . 2 2 4 4 PHE CB C 13 39.520 0.30000 . 1 . . . . 204 PHE CB . 19036 1 748 . 2 2 4 4 PHE N N 15 120.15 0.30000 . 1 . . . . 204 PHE N . 19036 1 749 . 2 2 5 5 MET H H 1 8.2888 0.03000 . 1 . . . . 205 MET H . 19036 1 750 . 2 2 5 5 MET HA H 1 4.2650 0.03000 . 1 . . . . 205 MET HA . 19036 1 751 . 2 2 5 5 MET CA C 13 57.317 0.30000 . 1 . . . . 205 MET CA . 19036 1 752 . 2 2 5 5 MET CB C 13 32.545 0.30000 . 1 . . . . 205 MET CB . 19036 1 753 . 2 2 5 5 MET N N 15 116.99 0.30000 . 1 . . . . 205 MET N . 19036 1 754 . 2 2 6 6 LYS H H 1 8.1390 0.03000 . 1 . . . . 206 LYS H . 19036 1 755 . 2 2 6 6 LYS HA H 1 4.1300 0.03000 . 1 . . . . 206 LYS HA . 19036 1 756 . 2 2 7 7 GLY H H 1 8.2807 0.03000 . 1 . . . . 207 GLY H . 19036 1 757 . 2 2 7 7 GLY HA2 H 1 3.8890 0.03000 . 2 . . . . 207 GLY HA2 . 19036 1 758 . 2 2 7 7 GLY HA3 H 1 3.8430 0.03000 . 2 . . . . 207 GLY HA3 . 19036 1 759 . 2 2 7 7 GLY CA C 13 46.852 0.30000 . 1 . . . . 207 GLY CA . 19036 1 760 . 2 2 7 7 GLY N N 15 107.76 0.30000 . 1 . . . . 207 GLY N . 19036 1 761 . 2 2 8 8 LEU H H 1 7.9918 0.03000 . 1 . . . . 208 LEU H . 19036 1 762 . 2 2 8 8 LEU HA H 1 4.1580 0.03000 . 1 . . . . 208 LEU HA . 19036 1 763 . 2 2 8 8 LEU CA C 13 57.048 0.30000 . 1 . . . . 208 LEU CA . 19036 1 764 . 2 2 8 8 LEU CB C 13 42.228 0.30000 . 1 . . . . 208 LEU CB . 19036 1 765 . 2 2 8 8 LEU N N 15 121.18 0.30000 . 1 . . . . 208 LEU N . 19036 1 766 . 2 2 10 10 LYS H H 1 8.1100 0.03000 . 1 . . . . 210 LYS H . 19036 1 767 . 2 2 10 10 LYS HA H 1 4.2100 0.03000 . 1 . . . . 210 LYS HA . 19036 1 768 . 2 2 11 11 ALA H H 1 8.2126 0.03000 . 1 . . . . 211 ALA H . 19036 1 769 . 2 2 11 11 ALA HA H 1 4.2210 0.03000 . 1 . . . . 211 ALA HA . 19036 1 770 . 2 2 11 11 ALA CA C 13 54.124 0.30000 . 1 . . . . 211 ALA CA . 19036 1 771 . 2 2 11 11 ALA CB C 13 19.048 0.30000 . 1 . . . . 211 ALA CB . 19036 1 772 . 2 2 11 11 ALA N N 15 123.23 0.30000 . 1 . . . . 211 ALA N . 19036 1 773 . 2 2 12 12 LYS H H 1 8.1100 0.03000 . 1 . . . . 212 LYS H . 19036 1 774 . 2 2 12 12 LYS HA H 1 4.1270 0.03000 . 1 . . . . 212 LYS HA . 19036 1 775 . 2 2 13 13 GLU H H 1 8.1200 0.03000 . 1 . . . . 213 GLU H . 19036 1 776 . 2 2 13 13 GLU HA H 1 4.1900 0.03000 . 1 . . . . 213 GLU HA . 19036 1 777 . 2 2 14 14 GLY H H 1 8.3511 0.03000 . 1 . . . . 214 GLY H . 19036 1 778 . 2 2 14 14 GLY HA2 H 1 3.9530 0.03000 . 2 . . . . 214 GLY HA2 . 19036 1 779 . 2 2 14 14 GLY HA3 H 1 3.9530 0.03000 . 2 . . . . 214 GLY HA3 . 19036 1 780 . 2 2 14 14 GLY CA C 13 46.143 0.30000 . 1 . . . . 214 GLY CA . 19036 1 781 . 2 2 14 14 GLY N N 15 108.55 0.30000 . 1 . . . . 214 GLY N . 19036 1 782 . 2 2 15 15 VAL H H 1 7.9169 0.03000 . 1 . . . . 215 VAL H . 19036 1 783 . 2 2 15 15 VAL HA H 1 4.0120 0.03000 . 1 . . . . 215 VAL HA . 19036 1 784 . 2 2 15 15 VAL CA C 13 63.957 0.30000 . 1 . . . . 215 VAL CA . 19036 1 785 . 2 2 15 15 VAL CB C 13 32.492 0.30000 . 1 . . . . 215 VAL CB . 19036 1 786 . 2 2 15 15 VAL N N 15 120.05 0.30000 . 1 . . . . 215 VAL N . 19036 1 787 . 2 2 16 16 VAL H H 1 8.0178 0.03000 . 1 . . . . 216 VAL H . 19036 1 788 . 2 2 16 16 VAL HA H 1 3.9500 0.03000 . 1 . . . . 216 VAL HA . 19036 1 789 . 2 2 16 16 VAL CA C 13 63.749 0.30000 . 1 . . . . 216 VAL CA . 19036 1 790 . 2 2 16 16 VAL CB C 13 32.488 0.30000 . 1 . . . . 216 VAL CB . 19036 1 791 . 2 2 16 16 VAL N N 15 121.98 0.30000 . 1 . . . . 216 VAL N . 19036 1 792 . 2 2 17 17 ALA H H 1 8.1763 0.03000 . 1 . . . . 217 ALA H . 19036 1 793 . 2 2 17 17 ALA HA H 1 4.2510 0.03000 . 1 . . . . 217 ALA HA . 19036 1 794 . 2 2 17 17 ALA CA C 13 53.182 0.30000 . 1 . . . . 217 ALA CA . 19036 1 795 . 2 2 17 17 ALA CB C 13 19.157 0.30000 . 1 . . . . 217 ALA CB . 19036 1 796 . 2 2 17 17 ALA N N 15 123.23 0.30000 . 1 . . . . 217 ALA N . 19036 1 797 . 2 2 18 18 ALA H H 1 8.0436 0.03000 . 1 . . . . 218 ALA H . 19036 1 798 . 2 2 18 18 ALA HA H 1 4.2540 0.03000 . 1 . . . . 218 ALA HA . 19036 1 799 . 2 2 18 18 ALA CA C 13 53.046 0.30000 . 1 . . . . 218 ALA CA . 19036 1 800 . 2 2 18 18 ALA CB C 13 19.609 0.30000 . 1 . . . . 218 ALA CB . 19036 1 801 . 2 2 18 18 ALA N N 15 122.47 0.30000 . 1 . . . . 218 ALA N . 19036 1 802 . 2 2 19 19 ALA H H 1 8.0591 0.03000 . 1 . . . . 219 ALA H . 19036 1 803 . 2 2 19 19 ALA HA H 1 4.2410 0.03000 . 1 . . . . 219 ALA HA . 19036 1 804 . 2 2 19 19 ALA CA C 13 52.654 0.30000 . 1 . . . . 219 ALA CA . 19036 1 805 . 2 2 19 19 ALA CB C 13 19.247 0.30000 . 1 . . . . 219 ALA CB . 19036 1 806 . 2 2 19 19 ALA N N 15 122.90 0.30000 . 1 . . . . 219 ALA N . 19036 1 stop_ save_