data_6541 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 6541 _Entry.Title ; 1H, 13C and 15N chemical shift assignments for stereo array isotope labeled (SAIL) calmodulin ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2005-03-09 _Entry.Accession_date 2005-03-09 _Entry.Last_release_date 2006-04-25 _Entry.Original_release_date 2006-04-25 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version . _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _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 Masatsune Kainosho . . . 6541 2 Takuya Torizawa . . . 6541 3 Tsutomu Terauchi . . . 6541 4 'Akira Mei' Ono . . . 6541 5 Peter Guntert . . . 6541 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 6541 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 591 6541 '15N chemical shifts' 158 6541 '1H chemical shifts' 751 6541 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2006-04-25 2005-03-09 original author . 6541 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 6541 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 16511487 _Citation.Full_citation . _Citation.Title 'Optimal isotope labelling for NMR protein structure determinations' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Nature _Citation.Journal_name_full . _Citation.Journal_volume 440 _Citation.Journal_issue 7080 _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 52 _Citation.Page_last 57 _Citation.Year 2006 _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 Masatsune Kainosho . . . 6541 1 2 Takuya Torizawa . . . 6541 1 3 Yuki Iwashita . . . 6541 1 4 Tsutomu Terauchi . . . 6541 1 5 'Akira Mei' Ono . . . 6541 1 6 Peter Guntert . . . 6541 1 stop_ save_ save_reference_citation _Citation.Sf_category citations _Citation.Sf_framecode reference_citation _Citation.Entry_ID 6541 _Citation.ID 2 _Citation.Class 'reference citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 15754057 _Citation.Full_citation . _Citation.Title 'Efficient production of isotopically labeled proteins by cell-free synthesis: A practical protocol' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biomol. NMR' _Citation.Journal_name_full . _Citation.Journal_volume 30 _Citation.Journal_issue 3 _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 311 _Citation.Page_last 325 _Citation.Year 2004 _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 Takuya Torizawa . . . 6541 2 2 Masato Shimizu . . . 6541 2 3 Masato Taoka . . . 6541 2 4 Hiroshi Miyano . . . 6541 2 5 Masatsune Kainosho . . . 6541 2 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 6541 _Assembly.ID 1 _Assembly.Name 'Ca-bound calmodulin' _Assembly.BMRB_code . _Assembly.Number_of_components 5 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 4 _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states no _Assembly.Ambiguous_chem_comp_sites no _Assembly.Molecules_in_chemical_exchange no _Assembly.Paramagnetic no _Assembly.Thiol_state 'not present' _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 . . yes native no no . . . 6541 1 2 'Ca ion, 1' 2 $CA . . no native no no . . . 6541 1 3 'Ca ion, 2' 2 $CA . . no native no no . . . 6541 1 4 'Ca ion, 3' 2 $CA . . no native no no . . . 6541 1 5 'Ca ion, 4' 2 $CA . . no native no no . . . 6541 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_calmodulin _Entity.Sf_category entity _Entity.Sf_framecode calmodulin _Entity.Entry_ID 6541 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name calmodulin _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; ADQLTEEQIAEFKEAFSLFD KDGDGTITTKELGTVMRSLG QNPTEAELQDMINEVDADGN GTIDFPEFLTMMARKMKDTD SEEEIREAFRVFDKDGNGYI SAAELRHVMTNLGEKLTDEE VDEMIREADIDGDGQVNYEE FVQMMTAK ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID CA _Entity.Nonpolymer_comp_label $chem_comp_CA _Entity.Number_of_monomers 148 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-01-28 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no BMRB 15183 . calmodulin . . . . . 100.00 149 98.65 100.00 2.21e-99 . . . . 6541 1 2 no BMRB 15184 . calmodulin . . . . . 100.00 148 100.00 100.00 3.34e-100 . . . . 6541 1 3 no BMRB 15185 . calmodulin . . . . . 100.00 148 100.00 100.00 3.34e-100 . . . . 6541 1 4 no BMRB 15186 . calmodulin . . . . . 100.00 148 100.00 100.00 3.34e-100 . . . . 6541 1 5 no BMRB 15187 . calmodulin . . . . . 100.00 149 98.65 100.00 2.21e-99 . . . . 6541 1 6 no BMRB 15188 . calmodulin . . . . . 100.00 148 99.32 100.00 6.65e-100 . . . . 6541 1 7 no BMRB 15191 . Calmodulin . . . . . 100.00 148 100.00 100.00 3.34e-100 . . . . 6541 1 8 no BMRB 15470 . calmodulin . . . . . 100.00 148 99.32 100.00 1.37e-99 . . . . 6541 1 9 no BMRB 15624 . Calmodulin . . . . . 100.00 148 100.00 100.00 3.34e-100 . . . . 6541 1 10 no BMRB 15650 . calmodulin . . . . . 100.00 148 99.32 100.00 2.26e-99 . . . . 6541 1 11 no BMRB 15852 . calmodulin . . . . . 100.00 148 99.32 100.00 2.26e-99 . . . . 6541 1 12 no BMRB 1634 . calmodulin . . . . . 100.00 148 97.30 99.32 1.73e-97 . . . . 6541 1 13 no BMRB 16418 . apoCaM . . . . . 100.00 148 100.00 100.00 3.34e-100 . . . . 6541 1 14 no BMRB 16465 . entity_1 . . . . . 100.00 148 100.00 100.00 3.34e-100 . . . . 6541 1 15 no BMRB 1648 . calmodulin . . . . . 100.00 148 97.30 99.32 1.73e-97 . . . . 6541 1 16 no BMRB 16764 . CALMODULIN . . . . . 100.00 150 100.00 100.00 3.57e-100 . . . . 6541 1 17 no BMRB 17264 . calmodulin . . . . . 100.00 148 100.00 100.00 3.34e-100 . . . . 6541 1 18 no BMRB 17360 . entity_1 . . . . . 100.00 148 100.00 100.00 3.34e-100 . . . . 6541 1 19 no BMRB 17771 . Calmodulin . . . . . 100.00 148 100.00 100.00 3.34e-100 . . . . 6541 1 20 no BMRB 17807 . Calmodulin . . . . . 99.32 147 100.00 100.00 1.74e-99 . . . . 6541 1 21 no BMRB 18027 . CaM . . . . . 100.00 148 100.00 100.00 3.34e-100 . . . . 6541 1 22 no BMRB 18028 . CaM . . . . . 100.00 148 100.00 100.00 3.34e-100 . . . . 6541 1 23 no BMRB 18556 . Calmodulin . . . . . 100.00 148 98.65 99.32 1.80e-98 . . . . 6541 1 24 no BMRB 19036 . calmodulin . . . . . 100.00 148 100.00 100.00 3.34e-100 . . . . 6541 1 25 no BMRB 19238 . Calmodulin_prototypical_calcium_sensor . . . . . 100.00 148 100.00 100.00 3.34e-100 . . . . 6541 1 26 no BMRB 19586 . entity_1 . . . . . 100.00 148 100.00 100.00 3.34e-100 . . . . 6541 1 27 no BMRB 19604 . calmodulin . . . . . 100.00 148 100.00 100.00 3.34e-100 . . . . 6541 1 28 no BMRB 26503 . Calmodulin . . . . . 100.00 148 100.00 100.00 3.34e-100 . . . . 6541 1 29 no BMRB 4056 . calmodulin . . . . . 100.00 148 100.00 100.00 3.34e-100 . . . . 6541 1 30 no BMRB 5227 . CaM . . . . . 100.00 148 100.00 100.00 3.34e-100 . . . . 6541 1 31 no BMRB 547 . calmodulin . . . . . 100.00 148 97.30 99.32 1.73e-97 . . . . 6541 1 32 no BMRB 6778 . calmodulin . . . . . 100.00 148 97.30 99.32 1.73e-97 . . . . 6541 1 33 no BMRB 6798 . calmodulin . . . . . 100.00 148 100.00 100.00 3.34e-100 . . . . 6541 1 34 no BMRB 6802 . calmodulin . . . . . 100.00 148 98.65 99.32 2.39e-98 . . . . 6541 1 35 no BMRB 6825 . calmodulin . . . . . 100.00 148 98.65 99.32 2.39e-98 . . . . 6541 1 36 no BMRB 6830 . calmodulin . . . . . 100.00 148 100.00 100.00 3.34e-100 . . . . 6541 1 37 no BMRB 6831 . calmodulin . . . . . 100.00 148 100.00 100.00 3.34e-100 . . . . 6541 1 38 no BMRB 7018 . calmodulin . . . . . 100.00 148 100.00 100.00 3.34e-100 . . . . 6541 1 39 no BMRB 7028 . calmodulin . . . . . 100.00 148 98.65 99.32 2.39e-98 . . . . 6541 1 40 no BMRB 7029 . calmodulin . . . . . 100.00 148 98.65 99.32 2.39e-98 . . . . 6541 1 41 no BMRB 7030 . calmodulin . . . . . 100.00 148 98.65 99.32 2.39e-98 . . . . 6541 1 42 no BMRB 7031 . calmodulin . . . . . 100.00 148 98.65 99.32 2.39e-98 . . . . 6541 1 43 no BMRB 7416 . calmodulin . . . . . 100.00 148 99.32 100.00 2.26e-99 . . . . 6541 1 44 no BMRB 7417 . calmodulin . . . . . 100.00 148 99.32 100.00 2.26e-99 . . . . 6541 1 45 no BMRB 7418 . calmodulin . . . . . 100.00 148 99.32 100.00 2.26e-99 . . . . 6541 1 46 no BMRB 7423 . calmodulin . . . . . 100.00 148 99.32 100.00 2.26e-99 . . . . 6541 1 47 no BMRB 7424 . calmodulin . . . . . 100.00 148 99.32 100.00 2.26e-99 . . . . 6541 1 48 no BMRB 7425 . calmodulin . . . . . 100.00 148 99.32 100.00 2.26e-99 . . . . 6541 1 49 no PDB 1A29 . "Calmodulin Complexed With Trifluoperazine (1:2 Complex)" . . . . . 100.00 148 100.00 100.00 3.34e-100 . . . . 6541 1 50 no PDB 1CFC . "Calcium-Free Calmodulin" . . . . . 100.00 148 100.00 100.00 3.34e-100 . . . . 6541 1 51 no PDB 1CFD . "Calcium-Free Calmodulin" . . . . . 100.00 148 100.00 100.00 3.34e-100 . . . . 6541 1 52 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 3.34e-100 . . . . 6541 1 53 no PDB 1CKK . "CalmodulinRAT CA2+CALMODULIN DEPENDENT PROTEIN KINASE Fragment" . . . . . 100.00 148 100.00 100.00 3.34e-100 . . . . 6541 1 54 no PDB 1CLL . "Calmodulin Structure Refined At 1.7 Angstroms Resolution" . . . . . 100.00 148 100.00 100.00 3.34e-100 . . . . 6541 1 55 no PDB 1CM1 . "Motions Of Calmodulin-Single-Conformer Refinement" . . . . . 100.00 148 100.00 100.00 3.34e-100 . . . . 6541 1 56 no PDB 1CM4 . "Motions Of Calmodulin-four-conformer Refinement" . . . . . 100.00 148 100.00 100.00 3.34e-100 . . . . 6541 1 57 no PDB 1CTR . "Drug Binding By Calmodulin: Crystal Structure Of A Calmodulin-Trifluoperazine Complex" . . . . . 100.00 148 100.00 100.00 3.34e-100 . . . . 6541 1 58 no PDB 1DMO . "Calmodulin, Nmr, 30 Structures" . . . . . 100.00 148 99.32 100.00 1.37e-99 . . . . 6541 1 59 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 3.34e-100 . . . . 6541 1 60 no PDB 1IQ5 . "CalmodulinNEMATODE CA2+CALMODULIN DEPENDENT KINASE KINASE Fragment" . . . . . 100.00 149 100.00 100.00 3.49e-100 . . . . 6541 1 61 no PDB 1IWQ . "Crystal Structure Of Marcks Calmodulin Binding Domain Peptide Complexed With Ca2+CALMODULIN" . . . . . 100.00 148 100.00 100.00 3.34e-100 . . . . 6541 1 62 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 3.34e-100 . . . . 6541 1 63 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 3.01e-97 . . . . 6541 1 64 no PDB 1L7Z . "Crystal Structure Of Ca2+/calmodulin Complexed With Myristoylated Cap-23/nap-22 Peptide" . . . . . 100.00 148 100.00 100.00 3.34e-100 . . . . 6541 1 65 no PDB 1LIN . "Calmodulin Complexed With Trifluoperazine (1:4 Complex)" . . . . . 100.00 148 100.00 100.00 3.34e-100 . . . . 6541 1 66 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 3.49e-100 . . . . 6541 1 67 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 3.34e-100 . . . . 6541 1 68 no PDB 1MXE . "Structure Of The Complex Of Calmodulin With The Target Sequence Of Camki" . . . . . 100.00 148 97.97 99.32 4.61e-98 . . . . 6541 1 69 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 3.34e-100 . . . . 6541 1 70 no PDB 1OOJ . "Structural Genomics Of Caenorhabditis Elegans : Calmodulin" . . . . . 100.00 149 97.97 98.65 8.69e-98 . . . . 6541 1 71 no PDB 1PRW . "Crystal Structure Of Bovine Brain Ca++ Calmodulin In A Compact Form" . . . . . 100.00 149 99.32 99.32 2.91e-99 . . . . 6541 1 72 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 3.34e-100 . . . . 6541 1 73 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 3.34e-100 . . . . 6541 1 74 no PDB 1QX5 . "Crystal Structure Of Apocalmodulin" . . . . . 100.00 148 100.00 100.00 3.34e-100 . . . . 6541 1 75 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 3.34e-100 . . . . 6541 1 76 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 3.34e-100 . . . . 6541 1 77 no PDB 1SY9 . "Structure Of Calmodulin Complexed With A Fragment Of The Olfactory Cng Channel" . . . . . 100.00 148 100.00 100.00 3.34e-100 . . . . 6541 1 78 no PDB 1UP5 . "Chicken Calmodulin" . . . . . 100.00 148 99.32 99.32 2.81e-99 . . . . 6541 1 79 no PDB 1WRZ . "Calmodulin Complexed With A Peptide From A Human Death-Associated Protein Kinase" . . . . . 100.00 149 100.00 100.00 3.49e-100 . . . . 6541 1 80 no PDB 1X02 . "Solution Structure Of Stereo Array Isotope Labeled (Sail) Calmodulin" . . . . . 100.00 148 100.00 100.00 3.34e-100 . . . . 6541 1 81 no PDB 1XA5 . "Structure Of Calmodulin In Complex With Kar-2, A Bis-Indol Alkaloid" . . . . . 100.00 148 100.00 100.00 3.34e-100 . . . . 6541 1 82 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 8.28e-100 . . . . 6541 1 83 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 8.28e-100 . . . . 6541 1 84 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 8.28e-100 . . . . 6541 1 85 no PDB 1XFY . "Crystal Structure Of Anthrax Edema Factor (Ef) In Complex With Calmodulin" . . . . . 100.00 149 99.32 100.00 8.28e-100 . . . . 6541 1 86 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 8.28e-100 . . . . 6541 1 87 no PDB 1Y0V . "Crystal Structure Of Anthrax Edema Factor (Ef) In Complex With Calmodulin And Pyrophosphate" . . . . . 97.30 146 100.00 100.00 2.59e-97 . . . . 6541 1 88 no PDB 1YR5 . "1.7-A Structure Of Calmodulin Bound To A Peptide From Dap Kinase" . . . . . 100.00 148 100.00 100.00 3.34e-100 . . . . 6541 1 89 no PDB 2BBM . "Solution Structure Of A Calmodulin-Target Peptide Complex By Multidimensional Nmr" . . . . . 100.00 148 97.97 99.32 4.61e-98 . . . . 6541 1 90 no PDB 2BBN . "Solution Structure Of A Calmodulin-Target Peptide Complex By Multidimensional Nmr" . . . . . 100.00 148 97.97 99.32 4.61e-98 . . . . 6541 1 91 no PDB 2BCX . "Crystal Structure Of Calmodulin In Complex With A Ryanodine Receptor Peptide" . . . . . 100.00 148 100.00 100.00 3.34e-100 . . . . 6541 1 92 no PDB 2BKH . "Myosin Vi Nucleotide-Free (Mdinsert2) Crystal Structure" . . . . . 100.00 149 97.97 99.32 3.51e-98 . . . . 6541 1 93 no PDB 2BKI . "Myosin Vi Nucleotide-Free (Mdinsert2-Iq) Crystal Structure" . . . . . 100.00 149 100.00 100.00 3.49e-100 . . . . 6541 1 94 no PDB 2DFS . "3-D Structure Of Myosin-V Inhibited State" . . . . . 100.00 148 100.00 100.00 3.34e-100 . . . . 6541 1 95 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 5.38e-100 . . . . 6541 1 96 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 5.38e-100 . . . . 6541 1 97 no PDB 2F3Y . "CalmodulinIQ DOMAIN COMPLEX" . . . . . 100.00 148 100.00 100.00 3.34e-100 . . . . 6541 1 98 no PDB 2F3Z . "CalmodulinIQ-Aa Domain Complex" . . . . . 100.00 148 100.00 100.00 3.34e-100 . . . . 6541 1 99 no PDB 2FOT . "Crystal Structure Of The Complex Between Calmodulin And Alphaii-Spectrin" . . . . . 100.00 148 100.00 100.00 3.34e-100 . . . . 6541 1 100 no PDB 2HQW . "Crystal Structure Of Ca2+CALMODULIN BOUND TO NMDA RECEPTOR NR1C1 Peptide" . . . . . 100.00 148 100.00 100.00 3.34e-100 . . . . 6541 1 101 no PDB 2JZI . "Structure Of Calmodulin Complexed With The Calmodulin Binding Domain Of Calcineurin" . . . . . 100.00 148 100.00 100.00 3.34e-100 . . . . 6541 1 102 no PDB 2K0E . "A Coupled Equilibrium Shift Mechanism In Calmodulin- Mediated Signal Transduction" . . . . . 100.00 148 100.00 100.00 3.34e-100 . . . . 6541 1 103 no PDB 2K0F . "Calmodulin Complexed With Calmodulin-Binding Peptide From Smooth Muscle Myosin Light Chain Kinase" . . . . . 100.00 148 100.00 100.00 3.34e-100 . . . . 6541 1 104 no PDB 2K0J . "Solution Structure Of Cam Complexed To Drp1p" . . . . . 100.00 148 99.32 100.00 2.26e-99 . . . . 6541 1 105 no PDB 2K61 . "Solution Structure Of Cam Complexed To Dapk Peptide" . . . . . 100.00 148 99.32 100.00 2.26e-99 . . . . 6541 1 106 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 3.34e-100 . . . . 6541 1 107 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 3.34e-100 . . . . 6541 1 108 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 3.34e-100 . . . . 6541 1 109 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 3.34e-100 . . . . 6541 1 110 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 7.26e-99 . . . . 6541 1 111 no PDB 2LL6 . "Solution Nmr Structure Of Cam Bound To Inos Cam Binding Domain Peptide" . . . . . 100.00 148 100.00 100.00 3.34e-100 . . . . 6541 1 112 no PDB 2LL7 . "Solution Nmr Structure Of Cam Bound To The Enos Cam Binding Domain Peptide" . . . . . 100.00 148 100.00 100.00 3.34e-100 . . . . 6541 1 113 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 1.80e-98 . . . . 6541 1 114 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 3.34e-100 . . . . 6541 1 115 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 3.34e-100 . . . . 6541 1 116 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 3.34e-100 . . . . 6541 1 117 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 3.34e-100 . . . . 6541 1 118 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 3.34e-100 . . . . 6541 1 119 no PDB 2O5G . "Calmodulin-Smooth Muscle Light Chain Kinase Peptide Complex" . . . . . 100.00 148 100.00 100.00 3.34e-100 . . . . 6541 1 120 no PDB 2O60 . "Calmodulin Bound To Peptide From Neuronal Nitric Oxide Synthase" . . . . . 100.00 148 100.00 100.00 3.34e-100 . . . . 6541 1 121 no PDB 2R28 . "The Complex Structure Of Calmodulin Bound To A Calcineurin Peptide" . . . . . 100.00 149 100.00 100.00 3.49e-100 . . . . 6541 1 122 no PDB 2V01 . "Recombinant Vertebrate Calmodulin Complexed With Pb" . . . . . 100.00 149 100.00 100.00 3.49e-100 . . . . 6541 1 123 no PDB 2V02 . "Recombinant Vertebrate Calmodulin Complexed With Ba" . . . . . 100.00 149 100.00 100.00 3.49e-100 . . . . 6541 1 124 no PDB 2VAS . "Myosin Vi (Md-Insert2-Cam, Delta-Insert1) Post-Rigor State" . . . . . 100.00 149 97.97 99.32 3.51e-98 . . . . 6541 1 125 no PDB 2VAY . "Calmodulin Complexed With Cav1.1 Iq Peptide" . . . . . 98.65 146 100.00 100.00 7.26e-99 . . . . 6541 1 126 no PDB 2VB6 . "Myosin Vi (Md-Insert2-Cam, Delta Insert1) Post-Rigor State ( Crystal Form 2)" . . . . . 100.00 149 97.30 99.32 8.50e-98 . . . . 6541 1 127 no PDB 2W73 . "High-Resolution Structure Of The Complex Between Calmodulin And A Peptide From Calcineurin A" . . . . . 100.00 149 100.00 100.00 3.49e-100 . . . . 6541 1 128 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 3.24e-100 . . . . 6541 1 129 no PDB 2X0G . "X-ray Structure Of A Dap-kinase Calmodulin Complex" . . . . . 100.00 148 100.00 100.00 3.34e-100 . . . . 6541 1 130 no PDB 2X51 . "M6 Delta Insert1" . . . . . 100.00 149 97.97 99.32 3.51e-98 . . . . 6541 1 131 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 3.49e-100 . . . . 6541 1 132 no PDB 2YGG . "Complex Of Cambr And Cam" . . . . . 100.00 150 100.00 100.00 3.81e-100 . . . . 6541 1 133 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 3.34e-100 . . . . 6541 1 134 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 3.34e-100 . . . . 6541 1 135 no PDB 3BYA . "Structure Of A Calmodulin Complex" . . . . . 100.00 148 100.00 100.00 3.34e-100 . . . . 6541 1 136 no PDB 3CLN . "Structure Of Calmodulin Refined At 2.2 Angstroms Resolution" . . . . . 100.00 148 99.32 100.00 1.37e-99 . . . . 6541 1 137 no PDB 3DVE . "Crystal Structure Of Ca2+CAM-Cav2.2 Iq Domain Complex" . . . . . 100.00 148 100.00 100.00 3.34e-100 . . . . 6541 1 138 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 3.34e-100 . . . . 6541 1 139 no PDB 3DVK . "Crystal Structure Of Ca2+CAM-Cav2.3 Iq Domain Complex" . . . . . 100.00 148 100.00 100.00 3.34e-100 . . . . 6541 1 140 no PDB 3DVM . "Crystal Structure Of Ca2+CAM-Cav2.1 Iq Domain Complex" . . . . . 100.00 148 100.00 100.00 3.34e-100 . . . . 6541 1 141 no PDB 3EK4 . "Calcium-saturated Gcamp2 Monomer" . . . . . 99.32 449 100.00 100.00 6.40e-96 . . . . 6541 1 142 no PDB 3EK7 . "Calcium-Saturated Gcamp2 Dimer" . . . . . 99.32 449 100.00 100.00 6.40e-96 . . . . 6541 1 143 no PDB 3EK8 . "Calcium-Saturated Gcamp2 T116vG87R MUTANT MONOMER" . . . . . 99.32 449 100.00 100.00 9.04e-96 . . . . 6541 1 144 no PDB 3EKH . "Calcium-Saturated Gcamp2 T116vK378W MUTANT MONOMER" . . . . . 99.32 449 99.32 99.32 6.19e-95 . . . . 6541 1 145 no PDB 3EVU . "Crystal Structure Of Calcium Bound Dimeric Gcamp2, (#1)" . . . . . 99.32 449 100.00 100.00 6.40e-96 . . . . 6541 1 146 no PDB 3EVV . "Crystal Structure Of Calcium Bound Dimeric Gcamp2 (#2)" . . . . . 99.32 449 100.00 100.00 6.40e-96 . . . . 6541 1 147 no PDB 3EWT . "Crystal Structure Of Calmodulin Complexed With A Peptide" . . . . . 100.00 154 100.00 100.00 1.40e-100 . . . . 6541 1 148 no PDB 3EWV . "Crystal Structure Of Calmodulin Complexed With A Peptide" . . . . . 100.00 154 100.00 100.00 1.40e-100 . . . . 6541 1 149 no PDB 3G43 . "Crystal Structure Of The Calmodulin-Bound Cav1.2 C-Terminal Regulatory Domain Dimer" . . . . . 100.00 148 100.00 100.00 3.34e-100 . . . . 6541 1 150 no PDB 3GN4 . "Myosin Lever Arm" . . . . . 100.00 149 97.97 99.32 3.51e-98 . . . . 6541 1 151 no PDB 3GOF . "Calmodulin Bound To Peptide From Macrophage Nitric Oxide Synthase" . . . . . 100.00 148 100.00 100.00 3.34e-100 . . . . 6541 1 152 no PDB 3HR4 . "Human Inos Reductase And Calmodulin Complex" . . . . . 100.00 149 100.00 100.00 3.49e-100 . . . . 6541 1 153 no PDB 3IF7 . "Structure Of Calmodulin Complexed With Its First Endogenous Inhibitor, Sphingosylphosphorylcholine" . . . . . 100.00 148 100.00 100.00 3.34e-100 . . . . 6541 1 154 no PDB 3J41 . "Pseudo-atomic Model Of The Aquaporin-0/calmodulin Complex Derived From Electron Microscopy" . . . . . 100.00 149 100.00 100.00 3.49e-100 . . . . 6541 1 155 no PDB 3L9I . "Myosin Vi Nucleotide-Free (Mdinsert2) L310g Mutant Crystal Structure" . . . . . 100.00 149 97.97 99.32 3.51e-98 . . . . 6541 1 156 no PDB 3O77 . "The Structure Of Ca2+ Sensor (Case-16)" . . . . . 99.32 415 100.00 100.00 2.87e-96 . . . . 6541 1 157 no PDB 3O78 . "The Structure Of Ca2+ Sensor (Case-12)" . . . . . 99.32 415 100.00 100.00 3.16e-96 . . . . 6541 1 158 no PDB 3OXQ . "Crystal Structure Of Ca2+CAM-Cav1.2 Pre-IqIQ DOMAIN COMPLEX" . . . . . 100.00 149 100.00 100.00 3.49e-100 . . . . 6541 1 159 no PDB 3SG2 . "Crystal Structure Of Gcamp2-t116v,d381y" . . . . . 99.32 449 99.32 99.32 9.13e-95 . . . . 6541 1 160 no PDB 3SG3 . "Crystal Structure Of Gcamp3-d380y" . . . . . 99.32 449 98.64 99.32 1.16e-93 . . . . 6541 1 161 no PDB 3SG4 . "Crystal Structure Of Gcamp3-d380y, Lp(linker 2)" . . . . . 100.00 448 97.97 98.65 7.96e-94 . . . . 6541 1 162 no PDB 3SG5 . "Crystal Structure Of Dimeric Gcamp3-d380y, Qp(linker 1), Lp(linker 2)" . . . . . 100.00 448 97.97 98.65 6.55e-94 . . . . 6541 1 163 no PDB 3SG6 . "Crystal Structure Of Dimeric Gcamp2-lia(linker 1)" . . . . . 99.32 450 100.00 100.00 8.17e-96 . . . . 6541 1 164 no PDB 3SG7 . "Crystal Structure Of Gcamp3-kf(linker 1)" . . . . . 99.32 448 99.32 100.00 5.46e-95 . . . . 6541 1 165 no PDB 3SJQ . "Crystal Structure Of A Small Conductance Potassium Channel Splice Variant Complexed With Calcium-Calmodulin" . . . . . 100.00 149 100.00 100.00 3.49e-100 . . . . 6541 1 166 no PDB 3SUI . "Crystal Structure Of Ca2+-Calmodulin In Complex With A Trpv1 C- Terminal Peptide" . . . . . 100.00 149 100.00 100.00 3.49e-100 . . . . 6541 1 167 no PDB 3U0K . "Crystal Structure Of The Genetically Encoded Calcium Indicator Rcamp" . . . . . 99.32 440 98.64 99.32 1.95e-94 . . . . 6541 1 168 no PDB 3WFN . "Crystal Structure Of Nav1.6 Iq Motif In Complex With Apo-cam" . . . . . 100.00 182 100.00 100.00 4.02e-100 . . . . 6541 1 169 no PDB 4ANJ . "Myosin Vi (Mdinsert2-Gfp Fusion) Pre-Powerstroke State (Mg.Adp.Alf4)" . . . . . 100.00 149 97.97 99.32 3.51e-98 . . . . 6541 1 170 no PDB 4BW7 . "Calmodulin In Complex With Strontium" . . . . . 100.00 149 100.00 100.00 3.49e-100 . . . . 6541 1 171 no PDB 4BW8 . "Calmodulin With Small Bend In Central Helix" . . . . . 100.00 149 100.00 100.00 3.49e-100 . . . . 6541 1 172 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 3.49e-100 . . . . 6541 1 173 no PDB 4CLN . "Structure Of A Recombinant Calmodulin From Drosophila Melanogaster Refined At 2.2-Angstroms Resolution" . . . . . 100.00 148 97.97 99.32 4.61e-98 . . . . 6541 1 174 no PDB 4DBP . "Myosin Vi Nucleotide-free (mdinsert2) D179y Crystal Structure" . . . . . 100.00 149 97.97 99.32 3.51e-98 . . . . 6541 1 175 no PDB 4DBQ . "Myosin Vi D179y (md-insert2-cam, Delta-insert1) Post-rigor State" . . . . . 100.00 149 97.97 99.32 3.51e-98 . . . . 6541 1 176 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 3.49e-100 . . . . 6541 1 177 no PDB 4DJC . "1.35 A Crystal Structure Of The Nav1.5 Diii-Iv-CaCAM COMPLEX" . . . . . 100.00 152 100.00 100.00 2.44e-100 . . . . 6541 1 178 no PDB 4E50 . "Calmodulin And Ng Peptide Complex" . . . . . 100.00 185 100.00 100.00 1.82e-100 . . . . 6541 1 179 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 3.34e-100 . . . . 6541 1 180 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 3.49e-100 . . . . 6541 1 181 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 3.49e-100 . . . . 6541 1 182 no PDB 4HEX . "A Novel Conformation Of Calmodulin" . . . . . 100.00 156 100.00 100.00 1.50e-100 . . . . 6541 1 183 no PDB 4IK1 . "High Resolution Structure Of Gcampj At Ph 8.5" . . . . . 99.32 448 98.64 99.32 9.99e-94 . . . . 6541 1 184 no PDB 4IK3 . "High Resolution Structure Of Gcamp3 At Ph 8.5" . . . . . 99.32 448 99.32 100.00 6.49e-95 . . . . 6541 1 185 no PDB 4IK4 . "High Resolution Structure Of Gcamp3 At Ph 5.0" . . . . . 99.32 448 99.32 100.00 6.49e-95 . . . . 6541 1 186 no PDB 4IK5 . "High Resolution Structure Of Delta-rest-gcamp3" . . . . . 99.32 414 99.32 100.00 2.54e-95 . . . . 6541 1 187 no PDB 4IK8 . "High Resolution Structure Of Gcamp3 Dimer Form 1 At Ph 7.5" . . . . . 99.32 448 99.32 100.00 6.49e-95 . . . . 6541 1 188 no PDB 4IK9 . "High Resolution Structure Of Gcamp3 Dimer Form 2 At Ph 7.5" . . . . . 99.32 448 99.32 100.00 6.49e-95 . . . . 6541 1 189 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 3.49e-100 . . . . 6541 1 190 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 3.49e-100 . . . . 6541 1 191 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 3.49e-100 . . . . 6541 1 192 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 3.49e-100 . . . . 6541 1 193 no PDB 4L79 . "Crystal Structure Of Nucleotide-free Myosin 1b Residues 1-728 With Bound Calmodulin" . . . . . 100.00 149 100.00 100.00 3.49e-100 . . . . 6541 1 194 no PDB 4LZX . "Complex Of Iqcg And Ca2+-free Cam" . . . . . 100.00 148 100.00 100.00 3.34e-100 . . . . 6541 1 195 no PDB 4M1L . "Complex Of Iqcg And Ca2+-bound Cam" . . . . . 100.00 148 100.00 100.00 3.34e-100 . . . . 6541 1 196 no PDB 4Q5U . "Structure Of Calmodulin Bound To Its Recognition Site From Calcineurin" . . . . . 100.00 149 100.00 100.00 3.49e-100 . . . . 6541 1 197 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 4.26e-99 . . . . 6541 1 198 no PDB 4R8G . "Crystal Structure Of Myosin-1c Tail In Complex With Calmodulin" . . . . . 100.00 148 100.00 100.00 3.34e-100 . . . . 6541 1 199 no PDB 4UMO . "Crystal Structure Of The Kv7.1 Proximal C-terminal Domain In Complex With Calmodulin" . . . . . 100.00 149 100.00 100.00 3.49e-100 . . . . 6541 1 200 no PDB 4UPU . "Crystal Structure Of Ip3 3-k Calmodulin Binding Region In Complex With Calmodulin" . . . . . 100.00 148 100.00 100.00 3.34e-100 . . . . 6541 1 201 no PDB 4V0C . "Crystal Structure Of The Kv7.1 Proximal C-terminal Domain In Complex With Calmodulin" . . . . . 100.00 149 100.00 100.00 3.49e-100 . . . . 6541 1 202 no DBJ BAA08302 . "calmodulin [Homo sapiens]" . . . . . 100.00 149 100.00 100.00 3.49e-100 . . . . 6541 1 203 no DBJ BAA11896 . "calmodulin [Anas platyrhynchos]" . . . . . 100.00 149 100.00 100.00 3.49e-100 . . . . 6541 1 204 no DBJ BAA19786 . "calmodulin [Branchiostoma lanceolatum]" . . . . . 100.00 149 97.97 99.32 3.51e-98 . . . . 6541 1 205 no DBJ BAA19787 . "calmodulin [Branchiostoma floridae]" . . . . . 100.00 149 97.97 99.32 3.51e-98 . . . . 6541 1 206 no DBJ BAA19788 . "calmodulin [Halocynthia roretzi]" . . . . . 100.00 149 97.97 99.32 3.51e-98 . . . . 6541 1 207 no EMBL CAA10601 . "calmodulin [Caenorhabditis elegans]" . . . . . 100.00 149 97.97 98.65 8.69e-98 . . . . 6541 1 208 no EMBL CAA32050 . "calmodulin [Rattus norvegicus]" . . . . . 100.00 149 100.00 100.00 3.49e-100 . . . . 6541 1 209 no EMBL CAA32062 . "calmodulin II [Rattus norvegicus]" . . . . . 100.00 149 100.00 100.00 3.49e-100 . . . . 6541 1 210 no EMBL CAA32119 . "calmodulin [Rattus norvegicus]" . . . . . 100.00 149 100.00 100.00 3.49e-100 . . . . 6541 1 211 no EMBL CAA32120 . "calmodulin [Rattus norvegicus]" . . . . . 100.00 149 100.00 100.00 3.49e-100 . . . . 6541 1 212 no GB AAA35635 . "calmodulin [Homo sapiens]" . . . . . 100.00 149 100.00 100.00 3.49e-100 . . . . 6541 1 213 no GB AAA35641 . "calmodulin [Homo sapiens]" . . . . . 100.00 149 100.00 100.00 3.49e-100 . . . . 6541 1 214 no GB AAA37365 . "calmodulin synthesis [Mus musculus]" . . . . . 100.00 149 100.00 100.00 3.49e-100 . . . . 6541 1 215 no GB AAA40862 . "calmodulin [Rattus norvegicus]" . . . . . 100.00 149 100.00 100.00 3.49e-100 . . . . 6541 1 216 no GB AAA40863 . "calmodulin [Rattus norvegicus]" . . . . . 100.00 149 100.00 100.00 3.49e-100 . . . . 6541 1 217 no PIR JC1305 . "calmodulin - Japanese medaka" . . . . . 100.00 149 100.00 100.00 3.49e-100 . . . . 6541 1 218 no PIR MCON . "calmodulin - salmon" . . . . . 100.00 148 100.00 100.00 3.34e-100 . . . . 6541 1 219 no PRF 0409298A . "troponin C-like protein" . . . . . 100.00 148 97.30 100.00 1.72e-98 . . . . 6541 1 220 no PRF 0608335A . calmodulin . . . . . 100.00 148 97.97 99.32 2.37e-97 . . . . 6541 1 221 no REF NP_001008160 . "calmodulin 2 (phosphorylase kinase, delta) [Xenopus (Silurana) tropicalis]" . . . . . 100.00 149 100.00 100.00 3.49e-100 . . . . 6541 1 222 no REF NP_001009759 . "calmodulin [Ovis aries]" . . . . . 100.00 149 100.00 100.00 3.49e-100 . . . . 6541 1 223 no REF NP_001027633 . "calmodulin [Ciona intestinalis]" . . . . . 100.00 149 97.30 98.65 2.27e-97 . . . . 6541 1 224 no REF NP_001039714 . "calmodulin [Bos taurus]" . . . . . 100.00 149 100.00 100.00 3.49e-100 . . . . 6541 1 225 no REF NP_001040234 . "calmodulin [Bombyx mori]" . . . . . 100.00 149 97.97 99.32 3.51e-98 . . . . 6541 1 226 no SP O02367 . "RecName: Full=Calmodulin; Short=CaM; AltName: Full=Ci-CaM [Ciona intestinalis]" . . . . . 100.00 149 97.30 98.65 2.27e-97 . . . . 6541 1 227 no SP O16305 . "RecName: Full=Calmodulin; Short=CaM [Caenorhabditis elegans]" . . . . . 100.00 149 97.97 98.65 8.69e-98 . . . . 6541 1 228 no SP O96081 . "RecName: Full=Calmodulin-B; Short=CaM B [Halocynthia roretzi]" . . . . . 100.00 149 97.30 98.65 2.56e-97 . . . . 6541 1 229 no SP P02594 . "RecName: Full=Calmodulin; Short=CaM [Electrophorus electricus]" . . . . . 100.00 149 99.32 100.00 1.12e-99 . . . . 6541 1 230 no SP P05932 . "RecName: Full=Calmodulin-beta; Short=Cam B, partial [Arbacia punctulata]" . . . . . 93.24 138 97.10 99.28 3.58e-90 . . . . 6541 1 231 no TPG DAA13808 . "TPA: calmodulin 2-like [Bos taurus]" . . . . . 100.00 216 98.65 98.65 1.70e-98 . . . . 6541 1 232 no TPG DAA18029 . "TPA: calmodulin [Bos taurus]" . . . . . 100.00 149 98.65 99.32 5.13e-99 . . . . 6541 1 233 no TPG DAA19590 . "TPA: calmodulin 3 [Bos taurus]" . . . . . 100.00 149 100.00 100.00 3.49e-100 . . . . 6541 1 234 no TPG DAA24777 . "TPA: calmodulin 2-like [Bos taurus]" . . . . . 100.00 149 100.00 100.00 3.49e-100 . . . . 6541 1 235 no TPG DAA24988 . "TPA: calmodulin 2-like isoform 1 [Bos taurus]" . . . . . 100.00 149 100.00 100.00 3.49e-100 . . . . 6541 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . ALA . 6541 1 2 . ASP . 6541 1 3 . GLN . 6541 1 4 . LEU . 6541 1 5 . THR . 6541 1 6 . GLU . 6541 1 7 . GLU . 6541 1 8 . GLN . 6541 1 9 . ILE . 6541 1 10 . ALA . 6541 1 11 . GLU . 6541 1 12 . PHE . 6541 1 13 . LYS . 6541 1 14 . GLU . 6541 1 15 . ALA . 6541 1 16 . PHE . 6541 1 17 . SER . 6541 1 18 . LEU . 6541 1 19 . PHE . 6541 1 20 . ASP . 6541 1 21 . LYS . 6541 1 22 . ASP . 6541 1 23 . GLY . 6541 1 24 . ASP . 6541 1 25 . GLY . 6541 1 26 . THR . 6541 1 27 . ILE . 6541 1 28 . THR . 6541 1 29 . THR . 6541 1 30 . LYS . 6541 1 31 . GLU . 6541 1 32 . LEU . 6541 1 33 . GLY . 6541 1 34 . THR . 6541 1 35 . VAL . 6541 1 36 . MET . 6541 1 37 . ARG . 6541 1 38 . SER . 6541 1 39 . LEU . 6541 1 40 . GLY . 6541 1 41 . GLN . 6541 1 42 . ASN . 6541 1 43 . PRO . 6541 1 44 . THR . 6541 1 45 . GLU . 6541 1 46 . ALA . 6541 1 47 . GLU . 6541 1 48 . LEU . 6541 1 49 . GLN . 6541 1 50 . ASP . 6541 1 51 . MET . 6541 1 52 . ILE . 6541 1 53 . ASN . 6541 1 54 . GLU . 6541 1 55 . VAL . 6541 1 56 . ASP . 6541 1 57 . ALA . 6541 1 58 . ASP . 6541 1 59 . GLY . 6541 1 60 . ASN . 6541 1 61 . GLY . 6541 1 62 . THR . 6541 1 63 . ILE . 6541 1 64 . ASP . 6541 1 65 . PHE . 6541 1 66 . PRO . 6541 1 67 . GLU . 6541 1 68 . PHE . 6541 1 69 . LEU . 6541 1 70 . THR . 6541 1 71 . MET . 6541 1 72 . MET . 6541 1 73 . ALA . 6541 1 74 . ARG . 6541 1 75 . LYS . 6541 1 76 . MET . 6541 1 77 . LYS . 6541 1 78 . ASP . 6541 1 79 . THR . 6541 1 80 . ASP . 6541 1 81 . SER . 6541 1 82 . GLU . 6541 1 83 . GLU . 6541 1 84 . GLU . 6541 1 85 . ILE . 6541 1 86 . ARG . 6541 1 87 . GLU . 6541 1 88 . ALA . 6541 1 89 . PHE . 6541 1 90 . ARG . 6541 1 91 . VAL . 6541 1 92 . PHE . 6541 1 93 . ASP . 6541 1 94 . LYS . 6541 1 95 . ASP . 6541 1 96 . GLY . 6541 1 97 . ASN . 6541 1 98 . GLY . 6541 1 99 . TYR . 6541 1 100 . ILE . 6541 1 101 . SER . 6541 1 102 . ALA . 6541 1 103 . ALA . 6541 1 104 . GLU . 6541 1 105 . LEU . 6541 1 106 . ARG . 6541 1 107 . HIS . 6541 1 108 . VAL . 6541 1 109 . MET . 6541 1 110 . THR . 6541 1 111 . ASN . 6541 1 112 . LEU . 6541 1 113 . GLY . 6541 1 114 . GLU . 6541 1 115 . LYS . 6541 1 116 . LEU . 6541 1 117 . THR . 6541 1 118 . ASP . 6541 1 119 . GLU . 6541 1 120 . GLU . 6541 1 121 . VAL . 6541 1 122 . ASP . 6541 1 123 . GLU . 6541 1 124 . MET . 6541 1 125 . ILE . 6541 1 126 . ARG . 6541 1 127 . GLU . 6541 1 128 . ALA . 6541 1 129 . ASP . 6541 1 130 . ILE . 6541 1 131 . ASP . 6541 1 132 . GLY . 6541 1 133 . ASP . 6541 1 134 . GLY . 6541 1 135 . GLN . 6541 1 136 . VAL . 6541 1 137 . ASN . 6541 1 138 . TYR . 6541 1 139 . GLU . 6541 1 140 . GLU . 6541 1 141 . PHE . 6541 1 142 . VAL . 6541 1 143 . GLN . 6541 1 144 . MET . 6541 1 145 . MET . 6541 1 146 . THR . 6541 1 147 . ALA . 6541 1 148 . LYS . 6541 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 6541 1 . ASP 2 2 6541 1 . GLN 3 3 6541 1 . LEU 4 4 6541 1 . THR 5 5 6541 1 . GLU 6 6 6541 1 . GLU 7 7 6541 1 . GLN 8 8 6541 1 . ILE 9 9 6541 1 . ALA 10 10 6541 1 . GLU 11 11 6541 1 . PHE 12 12 6541 1 . LYS 13 13 6541 1 . GLU 14 14 6541 1 . ALA 15 15 6541 1 . PHE 16 16 6541 1 . SER 17 17 6541 1 . LEU 18 18 6541 1 . PHE 19 19 6541 1 . ASP 20 20 6541 1 . LYS 21 21 6541 1 . ASP 22 22 6541 1 . GLY 23 23 6541 1 . ASP 24 24 6541 1 . GLY 25 25 6541 1 . THR 26 26 6541 1 . ILE 27 27 6541 1 . THR 28 28 6541 1 . THR 29 29 6541 1 . LYS 30 30 6541 1 . GLU 31 31 6541 1 . LEU 32 32 6541 1 . GLY 33 33 6541 1 . THR 34 34 6541 1 . VAL 35 35 6541 1 . MET 36 36 6541 1 . ARG 37 37 6541 1 . SER 38 38 6541 1 . LEU 39 39 6541 1 . GLY 40 40 6541 1 . GLN 41 41 6541 1 . ASN 42 42 6541 1 . PRO 43 43 6541 1 . THR 44 44 6541 1 . GLU 45 45 6541 1 . ALA 46 46 6541 1 . GLU 47 47 6541 1 . LEU 48 48 6541 1 . GLN 49 49 6541 1 . ASP 50 50 6541 1 . MET 51 51 6541 1 . ILE 52 52 6541 1 . ASN 53 53 6541 1 . GLU 54 54 6541 1 . VAL 55 55 6541 1 . ASP 56 56 6541 1 . ALA 57 57 6541 1 . ASP 58 58 6541 1 . GLY 59 59 6541 1 . ASN 60 60 6541 1 . GLY 61 61 6541 1 . THR 62 62 6541 1 . ILE 63 63 6541 1 . ASP 64 64 6541 1 . PHE 65 65 6541 1 . PRO 66 66 6541 1 . GLU 67 67 6541 1 . PHE 68 68 6541 1 . LEU 69 69 6541 1 . THR 70 70 6541 1 . MET 71 71 6541 1 . MET 72 72 6541 1 . ALA 73 73 6541 1 . ARG 74 74 6541 1 . LYS 75 75 6541 1 . MET 76 76 6541 1 . LYS 77 77 6541 1 . ASP 78 78 6541 1 . THR 79 79 6541 1 . ASP 80 80 6541 1 . SER 81 81 6541 1 . GLU 82 82 6541 1 . GLU 83 83 6541 1 . GLU 84 84 6541 1 . ILE 85 85 6541 1 . ARG 86 86 6541 1 . GLU 87 87 6541 1 . ALA 88 88 6541 1 . PHE 89 89 6541 1 . ARG 90 90 6541 1 . VAL 91 91 6541 1 . PHE 92 92 6541 1 . ASP 93 93 6541 1 . LYS 94 94 6541 1 . ASP 95 95 6541 1 . GLY 96 96 6541 1 . ASN 97 97 6541 1 . GLY 98 98 6541 1 . TYR 99 99 6541 1 . ILE 100 100 6541 1 . SER 101 101 6541 1 . ALA 102 102 6541 1 . ALA 103 103 6541 1 . GLU 104 104 6541 1 . LEU 105 105 6541 1 . ARG 106 106 6541 1 . HIS 107 107 6541 1 . VAL 108 108 6541 1 . MET 109 109 6541 1 . THR 110 110 6541 1 . ASN 111 111 6541 1 . LEU 112 112 6541 1 . GLY 113 113 6541 1 . GLU 114 114 6541 1 . LYS 115 115 6541 1 . LEU 116 116 6541 1 . THR 117 117 6541 1 . ASP 118 118 6541 1 . GLU 119 119 6541 1 . GLU 120 120 6541 1 . VAL 121 121 6541 1 . ASP 122 122 6541 1 . GLU 123 123 6541 1 . MET 124 124 6541 1 . ILE 125 125 6541 1 . ARG 126 126 6541 1 . GLU 127 127 6541 1 . ALA 128 128 6541 1 . ASP 129 129 6541 1 . ILE 130 130 6541 1 . ASP 131 131 6541 1 . GLY 132 132 6541 1 . ASP 133 133 6541 1 . GLY 134 134 6541 1 . GLN 135 135 6541 1 . VAL 136 136 6541 1 . ASN 137 137 6541 1 . TYR 138 138 6541 1 . GLU 139 139 6541 1 . GLU 140 140 6541 1 . PHE 141 141 6541 1 . VAL 142 142 6541 1 . GLN 143 143 6541 1 . MET 144 144 6541 1 . MET 145 145 6541 1 . THR 146 146 6541 1 . ALA 147 147 6541 1 . LYS 148 148 6541 1 stop_ save_ save_CA _Entity.Sf_category entity _Entity.Sf_framecode CA _Entity.Entry_ID 6541 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name CA _Entity.Type non-polymer _Entity.Polymer_common_type . _Entity.Polymer_type . _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code . _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer . _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID CA _Entity.Nonpolymer_comp_label $chem_comp_CA _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID 2 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . CA . 6541 2 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 6541 _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 . 8355 organism . 'Xenopus laevis' 'clawed frog' . . Eukaryota Metazoa Xenopus laevis . . . . . . . . . . . . . . . . . . . . . 6541 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 6541 _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 . 'chemical, enzymatic, and cell-free synthesis' . 'E. coli' . . . . . . . . . . . . . . . . . . . . . . . . . . . 6541 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_CA _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_CA _Chem_comp.Entry_ID 6541 _Chem_comp.ID CA _Chem_comp.Provenance . _Chem_comp.Name 'CALCIUM ION' _Chem_comp.Type non-polymer _Chem_comp.BMRB_code . _Chem_comp.PDB_code CA _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 1999-07-08 _Chem_comp.Modified_date 2011-06-04 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code CA _Chem_comp.Number_atoms_all . _Chem_comp.Number_atoms_nh . _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code . _Chem_comp.Mon_nstd_flag . _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID . _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms . _Chem_comp.Formal_charge 2 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic no _Chem_comp.Formula Ca _Chem_comp.Formula_weight 40.078 _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag no _Chem_comp.Ideal_coordinates_details . _Chem_comp.Ideal_coordinates_missing_flag no _Chem_comp.Model_coordinates_db_code . _Chem_comp.Processing_site RCSB _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details ; Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Aug 2 16:12:04 2011 ; _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_descriptor.Descriptor _Chem_comp_descriptor.Type _Chem_comp_descriptor.Program _Chem_comp_descriptor.Program_version _Chem_comp_descriptor.Entry_ID _Chem_comp_descriptor.Comp_ID BHPQYMZQTOCNFJ-UHFFFAOYSA-N InChIKey InChI 1.03 6541 CA [Ca++] SMILES CACTVS 3.341 6541 CA [Ca++] SMILES_CANONICAL CACTVS 3.341 6541 CA [Ca+2] SMILES ACDLabs 10.04 6541 CA [Ca+2] SMILES 'OpenEye OEToolkits' 1.5.0 6541 CA [Ca+2] SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 6541 CA InChI=1S/Ca/q+2 InChI InChI 1.03 6541 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 6541 CA 'calcium(+2) cation' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 6541 CA stop_ loop_ _Chem_comp_atom.Atom_ID _Chem_comp_atom.BMRB_code _Chem_comp_atom.PDB_atom_ID _Chem_comp_atom.Alt_atom_ID _Chem_comp_atom.Auth_atom_ID _Chem_comp_atom.Type_symbol _Chem_comp_atom.Isotope_number _Chem_comp_atom.Chirality _Chem_comp_atom.Stereo_config _Chem_comp_atom.Charge _Chem_comp_atom.Partial_charge _Chem_comp_atom.Oxidation_number _Chem_comp_atom.Unpaired_electron_number _Chem_comp_atom.Align _Chem_comp_atom.Aromatic_flag _Chem_comp_atom.Leaving_atom_flag _Chem_comp_atom.Substruct_code _Chem_comp_atom.Ionizable _Chem_comp_atom.Drawing_2D_coord_x _Chem_comp_atom.Drawing_2D_coord_y _Chem_comp_atom.Model_Cartn_x _Chem_comp_atom.Model_Cartn_x_esd _Chem_comp_atom.Model_Cartn_y _Chem_comp_atom.Model_Cartn_y_esd _Chem_comp_atom.Model_Cartn_z _Chem_comp_atom.Model_Cartn_z_esd _Chem_comp_atom.Model_Cartn_x_ideal _Chem_comp_atom.Model_Cartn_y_ideal _Chem_comp_atom.Model_Cartn_z_ideal _Chem_comp_atom.PDBX_ordinal _Chem_comp_atom.Details _Chem_comp_atom.Entry_ID _Chem_comp_atom.Comp_ID CA . CA . . CA . . N 2 . . . . no no . . . . 0.000 . 0.000 . 0.000 . 0.000 0.000 0.000 1 . 6541 CA stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 6541 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _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 'SAIL (stereo array isotope labeled)' . . 1 $calmodulin . . 0.7 . . mM . . . . 6541 1 2 MES-d13 . . . . . . . 5 . . mM . . . . 6541 1 3 bis-Tris-d19 . . . . . . . 10 . . mM . . . . 6541 1 4 CaCl2 . . . . . . . 5 . . mM . . . . 6541 1 5 NaN3 . . . . . . . 0.1 . . mM . . . . 6541 1 stop_ save_ ####################### # Sample conditions # ####################### save_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode conditions_1 _Sample_condition_list.Entry_ID 6541 _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 6.5 0.1 pH 6541 1 temperature 310 1 K 6541 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_600MHz_spectrometer _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode 600MHz_spectrometer _NMR_spectrometer.Entry_ID 6541 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ ############################# # NMR applied experiments # ############################# save_NMR_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode NMR_experiment_list _Experiment_list.Entry_ID 6541 _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 [1H,15N]-HSQC no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $600MHz_spectrometer . . . . . . . . . . . . . . . . 6541 1 2 [1H,13C]-HSQC no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $600MHz_spectrometer . . . . . . . . . . . . . . . . 6541 1 3 HNCO no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $600MHz_spectrometer . . . . . . . . . . . . . . . . 6541 1 4 HN(CA)CO no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $600MHz_spectrometer . . . . . . . . . . . . . . . . 6541 1 5 HNCA no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $600MHz_spectrometer . . . . . . . . . . . . . . . . 6541 1 6 HN(CO)CA no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $600MHz_spectrometer . . . . . . . . . . . . . . . . 6541 1 7 CBCANH no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $600MHz_spectrometer . . . . . . . . . . . . . . . . 6541 1 8 CBCA(CO)NH no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $600MHz_spectrometer . . . . . . . . . . . . . . . . 6541 1 9 HBHANH no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $600MHz_spectrometer . . . . . . . . . . . . . . . . 6541 1 10 HBHA(CO)NH no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $600MHz_spectrometer . . . . . . . . . . . . . . . . 6541 1 11 CBCGHE no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $600MHz_spectrometer . . . . . . . . . . . . . . . . 6541 1 12 HBCBCGHE no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $600MHz_spectrometer . . . . . . . . . . . . . . . . 6541 1 13 '15N-resolved [1H,1H]-NOESY' no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $600MHz_spectrometer . . . . . . . . . . . . . . . . 6541 1 14 '13C-resolved [1H,1H]-NOESY' no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $600MHz_spectrometer . . . . . . . . . . . . . . . . 6541 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_referencing _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_referencing _Chem_shift_reference.Entry_ID 6541 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . . . . . . . 6541 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1.0 . . . . . . . . . 6541 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 6541 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_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 6541 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_referencing _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 $sample_1 isotropic 6541 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 ALA H H 1 8.418 0.020 . 1 . . . . 1 ALA H . 6541 1 2 . 1 1 1 1 ALA HA H 1 4.143 0.020 . 1 . . . . 1 ALA HA . 6541 1 3 . 1 1 1 1 ALA HB1 H 1 1.304 0.020 . 1 . . . . 1 ALA HB . 6541 1 4 . 1 1 1 1 ALA HB2 H 1 1.304 0.020 . 1 . . . . 1 ALA HB . 6541 1 5 . 1 1 1 1 ALA HB3 H 1 1.304 0.020 . 1 . . . . 1 ALA HB . 6541 1 6 . 1 1 1 1 ALA C C 13 177.632 0.200 . 1 . . . . 1 ALA C . 6541 1 7 . 1 1 1 1 ALA CA C 13 53.218 0.200 . 1 . . . . 1 ALA CA . 6541 1 8 . 1 1 1 1 ALA CB C 13 18.487 0.200 . 1 . . . . 1 ALA CB . 6541 1 9 . 1 1 1 1 ALA N N 15 123.237 0.200 . 1 . . . . 1 ALA N . 6541 1 10 . 1 1 2 2 ASP H H 1 7.996 0.020 . 1 . . . . 2 ASP H . 6541 1 11 . 1 1 2 2 ASP HA H 1 4.498 0.020 . 1 . . . . 2 ASP HA . 6541 1 12 . 1 1 2 2 ASP HB2 H 1 2.633 0.020 . 1 . . . . 2 ASP HB2 . 6541 1 13 . 1 1 2 2 ASP C C 13 176.253 0.200 . 1 . . . . 2 ASP C . 6541 1 14 . 1 1 2 2 ASP CA C 13 54.926 0.200 . 1 . . . . 2 ASP CA . 6541 1 15 . 1 1 2 2 ASP CB C 13 40.626 0.200 . 1 . . . . 2 ASP CB . 6541 1 16 . 1 1 2 2 ASP N N 15 117.319 0.200 . 1 . . . . 2 ASP N . 6541 1 17 . 1 1 3 3 GLN H H 1 7.904 0.020 . 1 . . . . 3 GLN H . 6541 1 18 . 1 1 3 3 GLN HA H 1 4.352 0.020 . 1 . . . . 3 GLN HA . 6541 1 19 . 1 1 3 3 GLN HB2 H 1 1.943 0.020 . 1 . . . . 3 GLN HB2 . 6541 1 20 . 1 1 3 3 GLN HG2 H 1 2.309 0.020 . 1 . . . . 3 GLN HG2 . 6541 1 21 . 1 1 3 3 GLN HE21 H 1 7.424 0.020 . 2 . . . . 3 GLN HE21 . 6541 1 22 . 1 1 3 3 GLN HE22 H 1 6.744 0.020 . 2 . . . . 3 GLN HE22 . 6541 1 23 . 1 1 3 3 GLN C C 13 175.715 0.200 . 1 . . . . 3 GLN C . 6541 1 24 . 1 1 3 3 GLN CA C 13 55.477 0.200 . 1 . . . . 3 GLN CA . 6541 1 25 . 1 1 3 3 GLN CB C 13 29.296 0.200 . 1 . . . . 3 GLN CB . 6541 1 26 . 1 1 3 3 GLN CG C 13 33.528 0.200 . 1 . . . . 3 GLN CG . 6541 1 27 . 1 1 3 3 GLN N N 15 118.074 0.200 . 1 . . . . 3 GLN N . 6541 1 28 . 1 1 3 3 GLN NE2 N 15 112.266 0.200 . 1 . . . . 3 GLN NE2 . 6541 1 29 . 1 1 4 4 LEU H H 1 7.809 0.020 . 1 . . . . 4 LEU H . 6541 1 30 . 1 1 4 4 LEU HA H 1 4.649 0.020 . 1 . . . . 4 LEU HA . 6541 1 31 . 1 1 4 4 LEU HB3 H 1 1.481 0.020 . 1 . . . . 4 LEU HB3 . 6541 1 32 . 1 1 4 4 LEU HG H 1 1.723 0.020 . 1 . . . . 4 LEU HG . 6541 1 33 . 1 1 4 4 LEU HD11 H 1 0.876 0.020 . 1 . . . . 4 LEU HD1 . 6541 1 34 . 1 1 4 4 LEU HD12 H 1 0.876 0.020 . 1 . . . . 4 LEU HD1 . 6541 1 35 . 1 1 4 4 LEU HD13 H 1 0.876 0.020 . 1 . . . . 4 LEU HD1 . 6541 1 36 . 1 1 4 4 LEU C C 13 177.533 0.200 . 1 . . . . 4 LEU C . 6541 1 37 . 1 1 4 4 LEU CA C 13 54.320 0.200 . 1 . . . . 4 LEU CA . 6541 1 38 . 1 1 4 4 LEU CB C 13 43.137 0.200 . 1 . . . . 4 LEU CB . 6541 1 39 . 1 1 4 4 LEU CG C 13 26.511 0.200 . 1 . . . . 4 LEU CG . 6541 1 40 . 1 1 4 4 LEU CD1 C 13 26.252 0.200 . 1 . . . . 4 LEU CD1 . 6541 1 41 . 1 1 4 4 LEU N N 15 121.727 0.200 . 1 . . . . 4 LEU N . 6541 1 42 . 1 1 5 5 THR H H 1 8.642 0.020 . 1 . . . . 5 THR H . 6541 1 43 . 1 1 5 5 THR HA H 1 4.457 0.020 . 1 . . . . 5 THR HA . 6541 1 44 . 1 1 5 5 THR HB H 1 4.745 0.020 . 1 . . . . 5 THR HB . 6541 1 45 . 1 1 5 5 THR HG21 H 1 1.285 0.020 . 1 . . . . 5 THR HG2 . 6541 1 46 . 1 1 5 5 THR HG22 H 1 1.285 0.020 . 1 . . . . 5 THR HG2 . 6541 1 47 . 1 1 5 5 THR HG23 H 1 1.285 0.020 . 1 . . . . 5 THR HG2 . 6541 1 48 . 1 1 5 5 THR C C 13 175.564 0.200 . 1 . . . . 5 THR C . 6541 1 49 . 1 1 5 5 THR CA C 13 60.506 0.200 . 1 . . . . 5 THR CA . 6541 1 50 . 1 1 5 5 THR CB C 13 71.149 0.200 . 1 . . . . 5 THR CB . 6541 1 51 . 1 1 5 5 THR CG2 C 13 21.336 0.200 . 1 . . . . 5 THR CG2 . 6541 1 52 . 1 1 5 5 THR N N 15 112.755 0.200 . 1 . . . . 5 THR N . 6541 1 53 . 1 1 6 6 GLU H H 1 8.955 0.020 . 1 . . . . 6 GLU H . 6541 1 54 . 1 1 6 6 GLU HA H 1 3.958 0.020 . 1 . . . . 6 GLU HA . 6541 1 55 . 1 1 6 6 GLU HB2 H 1 2.024 0.020 . 1 . . . . 6 GLU HB2 . 6541 1 56 . 1 1 6 6 GLU HG2 H 1 2.288 0.020 . 1 . . . . 6 GLU HG2 . 6541 1 57 . 1 1 6 6 GLU C C 13 179.446 0.200 . 1 . . . . 6 GLU C . 6541 1 58 . 1 1 6 6 GLU CA C 13 60.035 0.200 . 1 . . . . 6 GLU CA . 6541 1 59 . 1 1 6 6 GLU CB C 13 28.894 0.200 . 1 . . . . 6 GLU CB . 6541 1 60 . 1 1 6 6 GLU CG C 13 36.202 0.200 . 1 . . . . 6 GLU CG . 6541 1 61 . 1 1 6 6 GLU N N 15 120.513 0.200 . 1 . . . . 6 GLU N . 6541 1 62 . 1 1 7 7 GLU H H 1 8.633 0.020 . 1 . . . . 7 GLU H . 6541 1 63 . 1 1 7 7 GLU HA H 1 4.052 0.020 . 1 . . . . 7 GLU HA . 6541 1 64 . 1 1 7 7 GLU HB2 H 1 2.003 0.020 . 1 . . . . 7 GLU HB2 . 6541 1 65 . 1 1 7 7 GLU HG2 H 1 2.314 0.020 . 1 . . . . 7 GLU HG2 . 6541 1 66 . 1 1 7 7 GLU C C 13 179.110 0.200 . 1 . . . . 7 GLU C . 6541 1 67 . 1 1 7 7 GLU CA C 13 59.874 0.200 . 1 . . . . 7 GLU CA . 6541 1 68 . 1 1 7 7 GLU CB C 13 28.736 0.200 . 1 . . . . 7 GLU CB . 6541 1 69 . 1 1 7 7 GLU CG C 13 36.443 0.200 . 1 . . . . 7 GLU CG . 6541 1 70 . 1 1 7 7 GLU N N 15 119.367 0.200 . 1 . . . . 7 GLU N . 6541 1 71 . 1 1 8 8 GLN H H 1 7.681 0.020 . 1 . . . . 8 GLN H . 6541 1 72 . 1 1 8 8 GLN HA H 1 3.854 0.020 . 1 . . . . 8 GLN HA . 6541 1 73 . 1 1 8 8 GLN HB2 H 1 2.338 0.020 . 1 . . . . 8 GLN HB2 . 6541 1 74 . 1 1 8 8 GLN HG2 H 1 2.259 0.020 . 1 . . . . 8 GLN HG2 . 6541 1 75 . 1 1 8 8 GLN HE21 H 1 7.387 0.020 . 2 . . . . 8 GLN HE21 . 6541 1 76 . 1 1 8 8 GLN HE22 H 1 6.704 0.020 . 2 . . . . 8 GLN HE22 . 6541 1 77 . 1 1 8 8 GLN C C 13 178.344 0.200 . 1 . . . . 8 GLN C . 6541 1 78 . 1 1 8 8 GLN CA C 13 58.557 0.200 . 1 . . . . 8 GLN CA . 6541 1 79 . 1 1 8 8 GLN CB C 13 28.957 0.200 . 1 . . . . 8 GLN CB . 6541 1 80 . 1 1 8 8 GLN CG C 13 34.570 0.200 . 1 . . . . 8 GLN CG . 6541 1 81 . 1 1 8 8 GLN N N 15 120.081 0.200 . 1 . . . . 8 GLN N . 6541 1 82 . 1 1 8 8 GLN NE2 N 15 111.230 0.200 . 1 . . . . 8 GLN NE2 . 6541 1 83 . 1 1 9 9 ILE H H 1 8.361 0.020 . 1 . . . . 9 ILE H . 6541 1 84 . 1 1 9 9 ILE HA H 1 3.704 0.020 . 1 . . . . 9 ILE HA . 6541 1 85 . 1 1 9 9 ILE HB H 1 1.938 0.020 . 1 . . . . 9 ILE HB . 6541 1 86 . 1 1 9 9 ILE HG12 H 1 1.057 0.020 . 1 . . . . 9 ILE HG12 . 6541 1 87 . 1 1 9 9 ILE HG21 H 1 1.056 0.020 . 1 . . . . 9 ILE HG2 . 6541 1 88 . 1 1 9 9 ILE HG22 H 1 1.056 0.020 . 1 . . . . 9 ILE HG2 . 6541 1 89 . 1 1 9 9 ILE HG23 H 1 1.056 0.020 . 1 . . . . 9 ILE HG2 . 6541 1 90 . 1 1 9 9 ILE HD11 H 1 0.813 0.020 . 1 . . . . 9 ILE HD1 . 6541 1 91 . 1 1 9 9 ILE HD12 H 1 0.813 0.020 . 1 . . . . 9 ILE HD1 . 6541 1 92 . 1 1 9 9 ILE HD13 H 1 0.813 0.020 . 1 . . . . 9 ILE HD1 . 6541 1 93 . 1 1 9 9 ILE C C 13 177.775 0.200 . 1 . . . . 9 ILE C . 6541 1 94 . 1 1 9 9 ILE CA C 13 66.109 0.200 . 1 . . . . 9 ILE CA . 6541 1 95 . 1 1 9 9 ILE CB C 13 37.513 0.200 . 1 . . . . 9 ILE CB . 6541 1 96 . 1 1 9 9 ILE CG1 C 13 29.619 0.200 . 1 . . . . 9 ILE CG1 . 6541 1 97 . 1 1 9 9 ILE CG2 C 13 16.870 0.200 . 1 . . . . 9 ILE CG2 . 6541 1 98 . 1 1 9 9 ILE CD1 C 13 12.272 0.200 . 1 . . . . 9 ILE CD1 . 6541 1 99 . 1 1 9 9 ILE N N 15 119.556 0.200 . 1 . . . . 9 ILE N . 6541 1 100 . 1 1 10 10 ALA H H 1 7.960 0.020 . 1 . . . . 10 ALA H . 6541 1 101 . 1 1 10 10 ALA HA H 1 4.098 0.020 . 1 . . . . 10 ALA HA . 6541 1 102 . 1 1 10 10 ALA HB1 H 1 1.485 0.020 . 1 . . . . 10 ALA HB . 6541 1 103 . 1 1 10 10 ALA HB2 H 1 1.485 0.020 . 1 . . . . 10 ALA HB . 6541 1 104 . 1 1 10 10 ALA HB3 H 1 1.485 0.020 . 1 . . . . 10 ALA HB . 6541 1 105 . 1 1 10 10 ALA C C 13 180.987 0.200 . 1 . . . . 10 ALA C . 6541 1 106 . 1 1 10 10 ALA CA C 13 55.395 0.200 . 1 . . . . 10 ALA CA . 6541 1 107 . 1 1 10 10 ALA CB C 13 17.418 0.200 . 1 . . . . 10 ALA CB . 6541 1 108 . 1 1 10 10 ALA N N 15 121.255 0.200 . 1 . . . . 10 ALA N . 6541 1 109 . 1 1 11 11 GLU H H 1 7.754 0.020 . 1 . . . . 11 GLU H . 6541 1 110 . 1 1 11 11 GLU HA H 1 4.130 0.020 . 1 . . . . 11 GLU HA . 6541 1 111 . 1 1 11 11 GLU HB2 H 1 1.994 0.020 . 1 . . . . 11 GLU HB2 . 6541 1 112 . 1 1 11 11 GLU HG2 H 1 2.128 0.020 . 1 . . . . 11 GLU HG2 . 6541 1 113 . 1 1 11 11 GLU C C 13 180.448 0.200 . 1 . . . . 11 GLU C . 6541 1 114 . 1 1 11 11 GLU CA C 13 59.271 0.200 . 1 . . . . 11 GLU CA . 6541 1 115 . 1 1 11 11 GLU CB C 13 28.757 0.200 . 1 . . . . 11 GLU CB . 6541 1 116 . 1 1 11 11 GLU CG C 13 35.633 0.200 . 1 . . . . 11 GLU CG . 6541 1 117 . 1 1 11 11 GLU N N 15 119.513 0.200 . 1 . . . . 11 GLU N . 6541 1 118 . 1 1 12 12 PHE H H 1 8.527 0.020 . 1 . . . . 12 PHE H . 6541 1 119 . 1 1 12 12 PHE HA H 1 4.995 0.020 . 1 . . . . 12 PHE HA . 6541 1 120 . 1 1 12 12 PHE HB3 H 1 3.414 0.020 . 1 . . . . 12 PHE HB3 . 6541 1 121 . 1 1 12 12 PHE HE1 H 1 7.231 0.020 . 1 . . . . 12 PHE HE1 . 6541 1 122 . 1 1 12 12 PHE HE2 H 1 7.231 0.020 . 1 . . . . 12 PHE HE2 . 6541 1 123 . 1 1 12 12 PHE C C 13 178.741 0.200 . 1 . . . . 12 PHE C . 6541 1 124 . 1 1 12 12 PHE CA C 13 59.293 0.200 . 1 . . . . 12 PHE CA . 6541 1 125 . 1 1 12 12 PHE CB C 13 37.526 0.200 . 1 . . . . 12 PHE CB . 6541 1 126 . 1 1 12 12 PHE CE1 C 13 131.192 0.200 . 1 . . . . 12 PHE CE1 . 6541 1 127 . 1 1 12 12 PHE N N 15 120.041 0.200 . 1 . . . . 12 PHE N . 6541 1 128 . 1 1 13 13 LYS H H 1 9.152 0.020 . 1 . . . . 13 LYS H . 6541 1 129 . 1 1 13 13 LYS HA H 1 4.012 0.020 . 1 . . . . 13 LYS HA . 6541 1 130 . 1 1 13 13 LYS HB3 H 1 1.888 0.020 . 1 . . . . 13 LYS HB3 . 6541 1 131 . 1 1 13 13 LYS HG3 H 1 1.187 0.020 . 1 . . . . 13 LYS HG3 . 6541 1 132 . 1 1 13 13 LYS HD3 H 1 1.200 0.020 . 1 . . . . 13 LYS HD3 . 6541 1 133 . 1 1 13 13 LYS HE2 H 1 2.530 0.020 . 1 . . . . 13 LYS HE2 . 6541 1 134 . 1 1 13 13 LYS C C 13 179.355 0.200 . 1 . . . . 13 LYS C . 6541 1 135 . 1 1 13 13 LYS CA C 13 60.149 0.200 . 1 . . . . 13 LYS CA . 6541 1 136 . 1 1 13 13 LYS CB C 13 31.517 0.200 . 1 . . . . 13 LYS CB . 6541 1 137 . 1 1 13 13 LYS CG C 13 24.988 0.200 . 1 . . . . 13 LYS CG . 6541 1 138 . 1 1 13 13 LYS CD C 13 28.288 0.200 . 1 . . . . 13 LYS CD . 6541 1 139 . 1 1 13 13 LYS CE C 13 41.483 0.200 . 1 . . . . 13 LYS CE . 6541 1 140 . 1 1 13 13 LYS N N 15 123.493 0.200 . 1 . . . . 13 LYS N . 6541 1 141 . 1 1 14 14 GLU H H 1 7.772 0.020 . 1 . . . . 14 GLU H . 6541 1 142 . 1 1 14 14 GLU HA H 1 4.119 0.020 . 1 . . . . 14 GLU HA . 6541 1 143 . 1 1 14 14 GLU HB2 H 1 2.206 0.020 . 1 . . . . 14 GLU HB2 . 6541 1 144 . 1 1 14 14 GLU HG2 H 1 2.257 0.020 . 1 . . . . 14 GLU HG2 . 6541 1 145 . 1 1 14 14 GLU C C 13 179.455 0.200 . 1 . . . . 14 GLU C . 6541 1 146 . 1 1 14 14 GLU CA C 13 59.329 0.200 . 1 . . . . 14 GLU CA . 6541 1 147 . 1 1 14 14 GLU CB C 13 28.783 0.200 . 1 . . . . 14 GLU CB . 6541 1 148 . 1 1 14 14 GLU CG C 13 35.733 0.200 . 1 . . . . 14 GLU CG . 6541 1 149 . 1 1 14 14 GLU N N 15 120.399 0.200 . 1 . . . . 14 GLU N . 6541 1 150 . 1 1 15 15 ALA H H 1 7.972 0.020 . 1 . . . . 15 ALA H . 6541 1 151 . 1 1 15 15 ALA HA H 1 4.262 0.020 . 1 . . . . 15 ALA HA . 6541 1 152 . 1 1 15 15 ALA HB1 H 1 1.915 0.020 . 1 . . . . 15 ALA HB . 6541 1 153 . 1 1 15 15 ALA HB2 H 1 1.915 0.020 . 1 . . . . 15 ALA HB . 6541 1 154 . 1 1 15 15 ALA HB3 H 1 1.915 0.020 . 1 . . . . 15 ALA HB . 6541 1 155 . 1 1 15 15 ALA C C 13 179.043 0.200 . 1 . . . . 15 ALA C . 6541 1 156 . 1 1 15 15 ALA CA C 13 55.215 0.200 . 1 . . . . 15 ALA CA . 6541 1 157 . 1 1 15 15 ALA CB C 13 17.613 0.200 . 1 . . . . 15 ALA CB . 6541 1 158 . 1 1 15 15 ALA N N 15 122.472 0.200 . 1 . . . . 15 ALA N . 6541 1 159 . 1 1 16 16 PHE H H 1 8.774 0.020 . 1 . . . . 16 PHE H . 6541 1 160 . 1 1 16 16 PHE HA H 1 3.206 0.020 . 1 . . . . 16 PHE HA . 6541 1 161 . 1 1 16 16 PHE HB3 H 1 3.155 0.020 . 1 . . . . 16 PHE HB3 . 6541 1 162 . 1 1 16 16 PHE HE1 H 1 7.003 0.020 . 1 . . . . 16 PHE HE1 . 6541 1 163 . 1 1 16 16 PHE HE2 H 1 7.003 0.020 . 1 . . . . 16 PHE HE2 . 6541 1 164 . 1 1 16 16 PHE C C 13 177.349 0.200 . 1 . . . . 16 PHE C . 6541 1 165 . 1 1 16 16 PHE CA C 13 61.958 0.200 . 1 . . . . 16 PHE CA . 6541 1 166 . 1 1 16 16 PHE CB C 13 39.159 0.200 . 1 . . . . 16 PHE CB . 6541 1 167 . 1 1 16 16 PHE CE1 C 13 130.872 0.200 . 1 . . . . 16 PHE CE1 . 6541 1 168 . 1 1 16 16 PHE N N 15 119.346 0.200 . 1 . . . . 16 PHE N . 6541 1 169 . 1 1 17 17 SER H H 1 7.887 0.020 . 1 . . . . 17 SER H . 6541 1 170 . 1 1 17 17 SER HA H 1 4.117 0.020 . 1 . . . . 17 SER HA . 6541 1 171 . 1 1 17 17 SER HB2 H 1 4.015 0.020 . 1 . . . . 17 SER HB2 . 6541 1 172 . 1 1 17 17 SER C C 13 174.991 0.200 . 1 . . . . 17 SER C . 6541 1 173 . 1 1 17 17 SER CA C 13 61.421 0.200 . 1 . . . . 17 SER CA . 6541 1 174 . 1 1 17 17 SER CB C 13 63.033 0.200 . 1 . . . . 17 SER CB . 6541 1 175 . 1 1 17 17 SER N N 15 112.628 0.200 . 1 . . . . 17 SER N . 6541 1 176 . 1 1 18 18 LEU H H 1 7.417 0.020 . 1 . . . . 18 LEU H . 6541 1 177 . 1 1 18 18 LEU HA H 1 3.980 0.020 . 1 . . . . 18 LEU HA . 6541 1 178 . 1 1 18 18 LEU HB3 H 1 1.562 0.020 . 1 . . . . 18 LEU HB3 . 6541 1 179 . 1 1 18 18 LEU HG H 1 1.437 0.020 . 1 . . . . 18 LEU HG . 6541 1 180 . 1 1 18 18 LEU HD11 H 1 0.777 0.020 . 1 . . . . 18 LEU HD1 . 6541 1 181 . 1 1 18 18 LEU HD12 H 1 0.777 0.020 . 1 . . . . 18 LEU HD1 . 6541 1 182 . 1 1 18 18 LEU HD13 H 1 0.777 0.020 . 1 . . . . 18 LEU HD1 . 6541 1 183 . 1 1 18 18 LEU C C 13 177.967 0.200 . 1 . . . . 18 LEU C . 6541 1 184 . 1 1 18 18 LEU CA C 13 57.142 0.200 . 1 . . . . 18 LEU CA . 6541 1 185 . 1 1 18 18 LEU CB C 13 41.094 0.200 . 1 . . . . 18 LEU CB . 6541 1 186 . 1 1 18 18 LEU CG C 13 26.260 0.200 . 1 . . . . 18 LEU CG . 6541 1 187 . 1 1 18 18 LEU CD1 C 13 23.761 0.200 . 1 . . . . 18 LEU CD1 . 6541 1 188 . 1 1 18 18 LEU N N 15 120.971 0.200 . 1 . . . . 18 LEU N . 6541 1 189 . 1 1 19 19 PHE H H 1 7.273 0.020 . 1 . . . . 19 PHE H . 6541 1 190 . 1 1 19 19 PHE HA H 1 4.216 0.020 . 1 . . . . 19 PHE HA . 6541 1 191 . 1 1 19 19 PHE HB3 H 1 2.625 0.020 . 1 . . . . 19 PHE HB3 . 6541 1 192 . 1 1 19 19 PHE HE1 H 1 7.353 0.020 . 1 . . . . 19 PHE HE1 . 6541 1 193 . 1 1 19 19 PHE HE2 H 1 7.353 0.020 . 1 . . . . 19 PHE HE2 . 6541 1 194 . 1 1 19 19 PHE C C 13 176.718 0.200 . 1 . . . . 19 PHE C . 6541 1 195 . 1 1 19 19 PHE CA C 13 59.312 0.200 . 1 . . . . 19 PHE CA . 6541 1 196 . 1 1 19 19 PHE CB C 13 40.586 0.200 . 1 . . . . 19 PHE CB . 6541 1 197 . 1 1 19 19 PHE CE1 C 13 130.874 0.200 . 1 . . . . 19 PHE CE1 . 6541 1 198 . 1 1 19 19 PHE N N 15 114.999 0.200 . 1 . . . . 19 PHE N . 6541 1 199 . 1 1 20 20 ASP H H 1 7.793 0.020 . 1 . . . . 20 ASP H . 6541 1 200 . 1 1 20 20 ASP HA H 1 4.530 0.020 . 1 . . . . 20 ASP HA . 6541 1 201 . 1 1 20 20 ASP HB2 H 1 1.477 0.020 . 1 . . . . 20 ASP HB2 . 6541 1 202 . 1 1 20 20 ASP C C 13 177.179 0.200 . 1 . . . . 20 ASP C . 6541 1 203 . 1 1 20 20 ASP CA C 13 52.373 0.200 . 1 . . . . 20 ASP CA . 6541 1 204 . 1 1 20 20 ASP CB C 13 38.632 0.200 . 1 . . . . 20 ASP CB . 6541 1 205 . 1 1 20 20 ASP N N 15 117.590 0.200 . 1 . . . . 20 ASP N . 6541 1 206 . 1 1 21 21 LYS H H 1 7.652 0.020 . 1 . . . . 21 LYS H . 6541 1 207 . 1 1 21 21 LYS HA H 1 3.954 0.020 . 1 . . . . 21 LYS HA . 6541 1 208 . 1 1 21 21 LYS HB3 H 1 1.835 0.020 . 1 . . . . 21 LYS HB3 . 6541 1 209 . 1 1 21 21 LYS HG3 H 1 1.508 0.020 . 1 . . . . 21 LYS HG3 . 6541 1 210 . 1 1 21 21 LYS HD3 H 1 1.665 0.020 . 1 . . . . 21 LYS HD3 . 6541 1 211 . 1 1 21 21 LYS HE2 H 1 2.951 0.020 . 1 . . . . 21 LYS HE2 . 6541 1 212 . 1 1 21 21 LYS C C 13 178.163 0.200 . 1 . . . . 21 LYS C . 6541 1 213 . 1 1 21 21 LYS CA C 13 58.400 0.200 . 1 . . . . 21 LYS CA . 6541 1 214 . 1 1 21 21 LYS CB C 13 32.187 0.200 . 1 . . . . 21 LYS CB . 6541 1 215 . 1 1 21 21 LYS CG C 13 23.956 0.200 . 1 . . . . 21 LYS CG . 6541 1 216 . 1 1 21 21 LYS CD C 13 27.791 0.200 . 1 . . . . 21 LYS CD . 6541 1 217 . 1 1 21 21 LYS CE C 13 41.779 0.200 . 1 . . . . 21 LYS CE . 6541 1 218 . 1 1 21 21 LYS N N 15 124.427 0.200 . 1 . . . . 21 LYS N . 6541 1 219 . 1 1 22 22 ASP H H 1 8.044 0.020 . 1 . . . . 22 ASP H . 6541 1 220 . 1 1 22 22 ASP HA H 1 4.573 0.020 . 1 . . . . 22 ASP HA . 6541 1 221 . 1 1 22 22 ASP HB2 H 1 3.030 0.020 . 1 . . . . 22 ASP HB2 . 6541 1 222 . 1 1 22 22 ASP C C 13 177.716 0.200 . 1 . . . . 22 ASP C . 6541 1 223 . 1 1 22 22 ASP CA C 13 52.809 0.200 . 1 . . . . 22 ASP CA . 6541 1 224 . 1 1 22 22 ASP CB C 13 39.349 0.200 . 1 . . . . 22 ASP CB . 6541 1 225 . 1 1 22 22 ASP N N 15 113.971 0.200 . 1 . . . . 22 ASP N . 6541 1 226 . 1 1 23 23 GLY H H 1 7.645 0.020 . 1 . . . . 23 GLY H . 6541 1 227 . 1 1 23 23 GLY HA3 H 1 3.858 0.020 . 1 . . . . 23 GLY HA3 . 6541 1 228 . 1 1 23 23 GLY C C 13 175.155 0.200 . 1 . . . . 23 GLY C . 6541 1 229 . 1 1 23 23 GLY CA C 13 47.040 0.200 . 1 . . . . 23 GLY CA . 6541 1 230 . 1 1 23 23 GLY N N 15 109.138 0.200 . 1 . . . . 23 GLY N . 6541 1 231 . 1 1 24 24 ASP H H 1 8.355 0.020 . 1 . . . . 24 ASP H . 6541 1 232 . 1 1 24 24 ASP HA H 1 4.490 0.020 . 1 . . . . 24 ASP HA . 6541 1 233 . 1 1 24 24 ASP HB2 H 1 3.017 0.020 . 1 . . . . 24 ASP HB2 . 6541 1 234 . 1 1 24 24 ASP C C 13 177.492 0.200 . 1 . . . . 24 ASP C . 6541 1 235 . 1 1 24 24 ASP CA C 13 53.746 0.200 . 1 . . . . 24 ASP CA . 6541 1 236 . 1 1 24 24 ASP CB C 13 40.180 0.200 . 1 . . . . 24 ASP CB . 6541 1 237 . 1 1 24 24 ASP N N 15 120.669 0.200 . 1 . . . . 24 ASP N . 6541 1 238 . 1 1 25 25 GLY H H 1 10.569 0.020 . 1 . . . . 25 GLY H . 6541 1 239 . 1 1 25 25 GLY HA3 H 1 4.327 0.020 . 1 . . . . 25 GLY HA3 . 6541 1 240 . 1 1 25 25 GLY C C 13 173.711 0.200 . 1 . . . . 25 GLY C . 6541 1 241 . 1 1 25 25 GLY CA C 13 45.294 0.200 . 1 . . . . 25 GLY CA . 6541 1 242 . 1 1 25 25 GLY N N 15 113.169 0.200 . 1 . . . . 25 GLY N . 6541 1 243 . 1 1 26 26 THR H H 1 8.108 0.020 . 1 . . . . 26 THR H . 6541 1 244 . 1 1 26 26 THR HA H 1 5.272 0.020 . 1 . . . . 26 THR HA . 6541 1 245 . 1 1 26 26 THR HB H 1 3.829 0.020 . 1 . . . . 26 THR HB . 6541 1 246 . 1 1 26 26 THR HG21 H 1 0.992 0.020 . 1 . . . . 26 THR HG2 . 6541 1 247 . 1 1 26 26 THR HG22 H 1 0.992 0.020 . 1 . . . . 26 THR HG2 . 6541 1 248 . 1 1 26 26 THR HG23 H 1 0.992 0.020 . 1 . . . . 26 THR HG2 . 6541 1 249 . 1 1 26 26 THR C C 13 172.956 0.200 . 1 . . . . 26 THR C . 6541 1 250 . 1 1 26 26 THR CA C 13 59.885 0.200 . 1 . . . . 26 THR CA . 6541 1 251 . 1 1 26 26 THR CB C 13 72.585 0.200 . 1 . . . . 26 THR CB . 6541 1 252 . 1 1 26 26 THR CG2 C 13 21.100 0.200 . 1 . . . . 26 THR CG2 . 6541 1 253 . 1 1 26 26 THR N N 15 112.932 0.200 . 1 . . . . 26 THR N . 6541 1 254 . 1 1 27 27 ILE H H 1 9.754 0.020 . 1 . . . . 27 ILE H . 6541 1 255 . 1 1 27 27 ILE HA H 1 4.946 0.020 . 1 . . . . 27 ILE HA . 6541 1 256 . 1 1 27 27 ILE HB H 1 1.764 0.020 . 1 . . . . 27 ILE HB . 6541 1 257 . 1 1 27 27 ILE HG12 H 1 0.252 0.020 . 1 . . . . 27 ILE HG12 . 6541 1 258 . 1 1 27 27 ILE HG21 H 1 0.826 0.020 . 1 . . . . 27 ILE HG2 . 6541 1 259 . 1 1 27 27 ILE HG22 H 1 0.826 0.020 . 1 . . . . 27 ILE HG2 . 6541 1 260 . 1 1 27 27 ILE HG23 H 1 0.826 0.020 . 1 . . . . 27 ILE HG2 . 6541 1 261 . 1 1 27 27 ILE HD11 H 1 0.190 0.020 . 1 . . . . 27 ILE HD1 . 6541 1 262 . 1 1 27 27 ILE HD12 H 1 0.190 0.020 . 1 . . . . 27 ILE HD1 . 6541 1 263 . 1 1 27 27 ILE HD13 H 1 0.190 0.020 . 1 . . . . 27 ILE HD1 . 6541 1 264 . 1 1 27 27 ILE C C 13 176.112 0.200 . 1 . . . . 27 ILE C . 6541 1 265 . 1 1 27 27 ILE CA C 13 60.495 0.200 . 1 . . . . 27 ILE CA . 6541 1 266 . 1 1 27 27 ILE CB C 13 39.409 0.200 . 1 . . . . 27 ILE CB . 6541 1 267 . 1 1 27 27 ILE CG1 C 13 26.432 0.200 . 1 . . . . 27 ILE CG1 . 6541 1 268 . 1 1 27 27 ILE CG2 C 13 17.126 0.200 . 1 . . . . 27 ILE CG2 . 6541 1 269 . 1 1 27 27 ILE CD1 C 13 14.639 0.200 . 1 . . . . 27 ILE CD1 . 6541 1 270 . 1 1 27 27 ILE N N 15 127.132 0.200 . 1 . . . . 27 ILE N . 6541 1 271 . 1 1 28 28 THR H H 1 8.457 0.020 . 1 . . . . 28 THR H . 6541 1 272 . 1 1 28 28 THR HA H 1 4.806 0.020 . 1 . . . . 28 THR HA . 6541 1 273 . 1 1 28 28 THR HB H 1 4.782 0.020 . 1 . . . . 28 THR HB . 6541 1 274 . 1 1 28 28 THR HG21 H 1 1.258 0.020 . 1 . . . . 28 THR HG2 . 6541 1 275 . 1 1 28 28 THR HG22 H 1 1.258 0.020 . 1 . . . . 28 THR HG2 . 6541 1 276 . 1 1 28 28 THR HG23 H 1 1.258 0.020 . 1 . . . . 28 THR HG2 . 6541 1 277 . 1 1 28 28 THR C C 13 176.634 0.200 . 1 . . . . 28 THR C . 6541 1 278 . 1 1 28 28 THR CA C 13 59.653 0.200 . 1 . . . . 28 THR CA . 6541 1 279 . 1 1 28 28 THR CB C 13 72.367 0.200 . 1 . . . . 28 THR CB . 6541 1 280 . 1 1 28 28 THR CG2 C 13 21.441 0.200 . 1 . . . . 28 THR CG2 . 6541 1 281 . 1 1 28 28 THR N N 15 116.595 0.200 . 1 . . . . 28 THR N . 6541 1 282 . 1 1 29 29 THR H H 1 9.057 0.020 . 1 . . . . 29 THR H . 6541 1 283 . 1 1 29 29 THR HA H 1 3.774 0.020 . 1 . . . . 29 THR HA . 6541 1 284 . 1 1 29 29 THR HB H 1 4.181 0.020 . 1 . . . . 29 THR HB . 6541 1 285 . 1 1 29 29 THR HG21 H 1 1.225 0.020 . 1 . . . . 29 THR HG2 . 6541 1 286 . 1 1 29 29 THR HG22 H 1 1.225 0.020 . 1 . . . . 29 THR HG2 . 6541 1 287 . 1 1 29 29 THR HG23 H 1 1.225 0.020 . 1 . . . . 29 THR HG2 . 6541 1 288 . 1 1 29 29 THR C C 13 177.225 0.200 . 1 . . . . 29 THR C . 6541 1 289 . 1 1 29 29 THR CA C 13 66.511 0.200 . 1 . . . . 29 THR CA . 6541 1 290 . 1 1 29 29 THR CB C 13 67.912 0.200 . 1 . . . . 29 THR CB . 6541 1 291 . 1 1 29 29 THR CG2 C 13 22.809 0.200 . 1 . . . . 29 THR CG2 . 6541 1 292 . 1 1 29 29 THR N N 15 112.859 0.200 . 1 . . . . 29 THR N . 6541 1 293 . 1 1 30 30 LYS H H 1 7.633 0.020 . 1 . . . . 30 LYS H . 6541 1 294 . 1 1 30 30 LYS HA H 1 4.107 0.020 . 1 . . . . 30 LYS HA . 6541 1 295 . 1 1 30 30 LYS HB3 H 1 1.764 0.020 . 1 . . . . 30 LYS HB3 . 6541 1 296 . 1 1 30 30 LYS HG3 H 1 1.456 0.020 . 1 . . . . 30 LYS HG3 . 6541 1 297 . 1 1 30 30 LYS HD3 H 1 1.628 0.020 . 1 . . . . 30 LYS HD3 . 6541 1 298 . 1 1 30 30 LYS HE2 H 1 2.951 0.020 . 1 . . . . 30 LYS HE2 . 6541 1 299 . 1 1 30 30 LYS C C 13 179.894 0.200 . 1 . . . . 30 LYS C . 6541 1 300 . 1 1 30 30 LYS CA C 13 59.143 0.200 . 1 . . . . 30 LYS CA . 6541 1 301 . 1 1 30 30 LYS CB C 13 32.046 0.200 . 1 . . . . 30 LYS CB . 6541 1 302 . 1 1 30 30 LYS CG C 13 24.386 0.200 . 1 . . . . 30 LYS CG . 6541 1 303 . 1 1 30 30 LYS CD C 13 28.531 0.200 . 1 . . . . 30 LYS CD . 6541 1 304 . 1 1 30 30 LYS CE C 13 41.781 0.200 . 1 . . . . 30 LYS CE . 6541 1 305 . 1 1 30 30 LYS N N 15 120.732 0.200 . 1 . . . . 30 LYS N . 6541 1 306 . 1 1 31 31 GLU H H 1 7.629 0.020 . 1 . . . . 31 GLU H . 6541 1 307 . 1 1 31 31 GLU HA H 1 4.031 0.020 . 1 . . . . 31 GLU HA . 6541 1 308 . 1 1 31 31 GLU HB2 H 1 2.357 0.020 . 1 . . . . 31 GLU HB2 . 6541 1 309 . 1 1 31 31 GLU HG2 H 1 2.288 0.020 . 1 . . . . 31 GLU HG2 . 6541 1 310 . 1 1 31 31 GLU C C 13 179.102 0.200 . 1 . . . . 31 GLU C . 6541 1 311 . 1 1 31 31 GLU CA C 13 59.355 0.200 . 1 . . . . 31 GLU CA . 6541 1 312 . 1 1 31 31 GLU CB C 13 29.507 0.200 . 1 . . . . 31 GLU CB . 6541 1 313 . 1 1 31 31 GLU CG C 13 37.911 0.200 . 1 . . . . 31 GLU CG . 6541 1 314 . 1 1 31 31 GLU N N 15 121.563 0.200 . 1 . . . . 31 GLU N . 6541 1 315 . 1 1 32 32 LEU H H 1 8.659 0.020 . 1 . . . . 32 LEU H . 6541 1 316 . 1 1 32 32 LEU HA H 1 4.078 0.020 . 1 . . . . 32 LEU HA . 6541 1 317 . 1 1 32 32 LEU HB3 H 1 1.815 0.020 . 1 . . . . 32 LEU HB3 . 6541 1 318 . 1 1 32 32 LEU HG H 1 1.557 0.020 . 1 . . . . 32 LEU HG . 6541 1 319 . 1 1 32 32 LEU HD11 H 1 0.815 0.020 . 1 . . . . 32 LEU HD1 . 6541 1 320 . 1 1 32 32 LEU HD12 H 1 0.815 0.020 . 1 . . . . 32 LEU HD1 . 6541 1 321 . 1 1 32 32 LEU HD13 H 1 0.815 0.020 . 1 . . . . 32 LEU HD1 . 6541 1 322 . 1 1 32 32 LEU C C 13 178.996 0.200 . 1 . . . . 32 LEU C . 6541 1 323 . 1 1 32 32 LEU CA C 13 58.097 0.200 . 1 . . . . 32 LEU CA . 6541 1 324 . 1 1 32 32 LEU CB C 13 42.281 0.200 . 1 . . . . 32 LEU CB . 6541 1 325 . 1 1 32 32 LEU CG C 13 26.106 0.200 . 1 . . . . 32 LEU CG . 6541 1 326 . 1 1 32 32 LEU CD1 C 13 23.129 0.200 . 1 . . . . 32 LEU CD1 . 6541 1 327 . 1 1 32 32 LEU N N 15 120.584 0.200 . 1 . . . . 32 LEU N . 6541 1 328 . 1 1 33 33 GLY H H 1 8.590 0.020 . 1 . . . . 33 GLY H . 6541 1 329 . 1 1 33 33 GLY HA3 H 1 3.947 0.020 . 1 . . . . 33 GLY HA3 . 6541 1 330 . 1 1 33 33 GLY C C 13 175.255 0.200 . 1 . . . . 33 GLY C . 6541 1 331 . 1 1 33 33 GLY CA C 13 48.075 0.200 . 1 . . . . 33 GLY CA . 6541 1 332 . 1 1 33 33 GLY N N 15 105.213 0.200 . 1 . . . . 33 GLY N . 6541 1 333 . 1 1 34 34 THR H H 1 7.874 0.020 . 1 . . . . 34 THR H . 6541 1 334 . 1 1 34 34 THR HA H 1 3.920 0.020 . 1 . . . . 34 THR HA . 6541 1 335 . 1 1 34 34 THR HB H 1 4.300 0.020 . 1 . . . . 34 THR HB . 6541 1 336 . 1 1 34 34 THR HG21 H 1 1.233 0.020 . 1 . . . . 34 THR HG2 . 6541 1 337 . 1 1 34 34 THR HG22 H 1 1.233 0.020 . 1 . . . . 34 THR HG2 . 6541 1 338 . 1 1 34 34 THR HG23 H 1 1.233 0.020 . 1 . . . . 34 THR HG2 . 6541 1 339 . 1 1 34 34 THR C C 13 177.096 0.200 . 1 . . . . 34 THR C . 6541 1 340 . 1 1 34 34 THR CA C 13 66.929 0.200 . 1 . . . . 34 THR CA . 6541 1 341 . 1 1 34 34 THR CB C 13 68.700 0.200 . 1 . . . . 34 THR CB . 6541 1 342 . 1 1 34 34 THR CG2 C 13 21.088 0.200 . 1 . . . . 34 THR CG2 . 6541 1 343 . 1 1 34 34 THR N N 15 117.984 0.200 . 1 . . . . 34 THR N . 6541 1 344 . 1 1 35 35 VAL H H 1 7.609 0.020 . 1 . . . . 35 VAL H . 6541 1 345 . 1 1 35 35 VAL HA H 1 3.485 0.020 . 1 . . . . 35 VAL HA . 6541 1 346 . 1 1 35 35 VAL HB H 1 1.929 0.020 . 1 . . . . 35 VAL HB . 6541 1 347 . 1 1 35 35 VAL HG21 H 1 0.622 0.020 . 1 . . . . 35 VAL HG2 . 6541 1 348 . 1 1 35 35 VAL HG22 H 1 0.622 0.020 . 1 . . . . 35 VAL HG2 . 6541 1 349 . 1 1 35 35 VAL HG23 H 1 0.622 0.020 . 1 . . . . 35 VAL HG2 . 6541 1 350 . 1 1 35 35 VAL C C 13 179.156 0.200 . 1 . . . . 35 VAL C . 6541 1 351 . 1 1 35 35 VAL CA C 13 66.301 0.200 . 1 . . . . 35 VAL CA . 6541 1 352 . 1 1 35 35 VAL CB C 13 31.035 0.200 . 1 . . . . 35 VAL CB . 6541 1 353 . 1 1 35 35 VAL CG2 C 13 22.234 0.200 . 1 . . . . 35 VAL CG2 . 6541 1 354 . 1 1 35 35 VAL N N 15 122.184 0.200 . 1 . . . . 35 VAL N . 6541 1 355 . 1 1 36 36 MET H H 1 8.402 0.020 . 1 . . . . 36 MET H . 6541 1 356 . 1 1 36 36 MET HA H 1 4.085 0.020 . 1 . . . . 36 MET HA . 6541 1 357 . 1 1 36 36 MET HB2 H 1 1.985 0.020 . 1 . . . . 36 MET HB2 . 6541 1 358 . 1 1 36 36 MET HG2 H 1 2.584 0.020 . 1 . . . . 36 MET HG2 . 6541 1 359 . 1 1 36 36 MET HE1 H 1 1.939 0.020 . 1 . . . . 36 MET HE . 6541 1 360 . 1 1 36 36 MET HE2 H 1 1.939 0.020 . 1 . . . . 36 MET HE . 6541 1 361 . 1 1 36 36 MET HE3 H 1 1.939 0.020 . 1 . . . . 36 MET HE . 6541 1 362 . 1 1 36 36 MET C C 13 179.128 0.200 . 1 . . . . 36 MET C . 6541 1 363 . 1 1 36 36 MET CA C 13 59.088 0.200 . 1 . . . . 36 MET CA . 6541 1 364 . 1 1 36 36 MET CB C 13 31.130 0.200 . 1 . . . . 36 MET CB . 6541 1 365 . 1 1 36 36 MET CG C 13 32.469 0.200 . 1 . . . . 36 MET CG . 6541 1 366 . 1 1 36 36 MET CE C 13 16.952 0.200 . 1 . . . . 36 MET CE . 6541 1 367 . 1 1 36 36 MET N N 15 118.323 0.200 . 1 . . . . 36 MET N . 6541 1 368 . 1 1 37 37 ARG H H 1 8.439 0.020 . 1 . . . . 37 ARG H . 6541 1 369 . 1 1 37 37 ARG HA H 1 4.777 0.020 . 1 . . . . 37 ARG HA . 6541 1 370 . 1 1 37 37 ARG HB3 H 1 1.859 0.020 . 1 . . . . 37 ARG HB3 . 6541 1 371 . 1 1 37 37 ARG HG3 H 1 1.860 0.020 . 1 . . . . 37 ARG HG3 . 6541 1 372 . 1 1 37 37 ARG HD2 H 1 3.109 0.020 . 1 . . . . 37 ARG HD2 . 6541 1 373 . 1 1 37 37 ARG C C 13 181.179 0.200 . 1 . . . . 37 ARG C . 6541 1 374 . 1 1 37 37 ARG CA C 13 59.068 0.200 . 1 . . . . 37 ARG CA . 6541 1 375 . 1 1 37 37 ARG CB C 13 29.698 0.200 . 1 . . . . 37 ARG CB . 6541 1 376 . 1 1 37 37 ARG CG C 13 28.688 0.200 . 1 . . . . 37 ARG CG . 6541 1 377 . 1 1 37 37 ARG CD C 13 43.230 0.200 . 1 . . . . 37 ARG CD . 6541 1 378 . 1 1 37 37 ARG N N 15 118.959 0.200 . 1 . . . . 37 ARG N . 6541 1 379 . 1 1 38 38 SER H H 1 7.887 0.020 . 1 . . . . 38 SER H . 6541 1 380 . 1 1 38 38 SER HA H 1 4.383 0.020 . 1 . . . . 38 SER HA . 6541 1 381 . 1 1 38 38 SER HB2 H 1 4.091 0.020 . 1 . . . . 38 SER HB2 . 6541 1 382 . 1 1 38 38 SER C C 13 174.745 0.200 . 1 . . . . 38 SER C . 6541 1 383 . 1 1 38 38 SER CA C 13 61.572 0.200 . 1 . . . . 38 SER CA . 6541 1 384 . 1 1 38 38 SER CB C 13 62.588 0.200 . 1 . . . . 38 SER CB . 6541 1 385 . 1 1 38 38 SER N N 15 118.704 0.200 . 1 . . . . 38 SER N . 6541 1 386 . 1 1 39 39 LEU H H 1 7.353 0.020 . 1 . . . . 39 LEU H . 6541 1 387 . 1 1 39 39 LEU HA H 1 4.473 0.020 . 1 . . . . 39 LEU HA . 6541 1 388 . 1 1 39 39 LEU HB3 H 1 1.762 0.020 . 1 . . . . 39 LEU HB3 . 6541 1 389 . 1 1 39 39 LEU HG H 1 1.761 0.020 . 1 . . . . 39 LEU HG . 6541 1 390 . 1 1 39 39 LEU HD11 H 1 0.778 0.020 . 1 . . . . 39 LEU HD1 . 6541 1 391 . 1 1 39 39 LEU HD12 H 1 0.778 0.020 . 1 . . . . 39 LEU HD1 . 6541 1 392 . 1 1 39 39 LEU HD13 H 1 0.778 0.020 . 1 . . . . 39 LEU HD1 . 6541 1 393 . 1 1 39 39 LEU C C 13 177.494 0.200 . 1 . . . . 39 LEU C . 6541 1 394 . 1 1 39 39 LEU CA C 13 54.524 0.200 . 1 . . . . 39 LEU CA . 6541 1 395 . 1 1 39 39 LEU CB C 13 41.574 0.200 . 1 . . . . 39 LEU CB . 6541 1 396 . 1 1 39 39 LEU CG C 13 25.763 0.200 . 1 . . . . 39 LEU CG . 6541 1 397 . 1 1 39 39 LEU CD1 C 13 24.874 0.200 . 1 . . . . 39 LEU CD1 . 6541 1 398 . 1 1 39 39 LEU N N 15 120.474 0.200 . 1 . . . . 39 LEU N . 6541 1 399 . 1 1 40 40 GLY H H 1 7.828 0.020 . 1 . . . . 40 GLY H . 6541 1 400 . 1 1 40 40 GLY HA3 H 1 4.231 0.020 . 1 . . . . 40 GLY HA3 . 6541 1 401 . 1 1 40 40 GLY C C 13 174.426 0.200 . 1 . . . . 40 GLY C . 6541 1 402 . 1 1 40 40 GLY CA C 13 45.401 0.200 . 1 . . . . 40 GLY CA . 6541 1 403 . 1 1 40 40 GLY N N 15 106.666 0.200 . 1 . . . . 40 GLY N . 6541 1 404 . 1 1 41 41 GLN H H 1 7.786 0.020 . 1 . . . . 41 GLN H . 6541 1 405 . 1 1 41 41 GLN HA H 1 4.460 0.020 . 1 . . . . 41 GLN HA . 6541 1 406 . 1 1 41 41 GLN HB2 H 1 1.617 0.020 . 1 . . . . 41 GLN HB2 . 6541 1 407 . 1 1 41 41 GLN HG2 H 1 2.215 0.020 . 1 . . . . 41 GLN HG2 . 6541 1 408 . 1 1 41 41 GLN HE21 H 1 7.276 0.020 . 2 . . . . 41 GLN HE21 . 6541 1 409 . 1 1 41 41 GLN HE22 H 1 6.678 0.020 . 2 . . . . 41 GLN HE22 . 6541 1 410 . 1 1 41 41 GLN C C 13 174.170 0.200 . 1 . . . . 41 GLN C . 6541 1 411 . 1 1 41 41 GLN CA C 13 54.529 0.200 . 1 . . . . 41 GLN CA . 6541 1 412 . 1 1 41 41 GLN CB C 13 30.257 0.200 . 1 . . . . 41 GLN CB . 6541 1 413 . 1 1 41 41 GLN CG C 13 33.579 0.200 . 1 . . . . 41 GLN CG . 6541 1 414 . 1 1 41 41 GLN N N 15 118.493 0.200 . 1 . . . . 41 GLN N . 6541 1 415 . 1 1 41 41 GLN NE2 N 15 111.095 0.200 . 1 . . . . 41 GLN NE2 . 6541 1 416 . 1 1 42 42 ASN H H 1 8.638 0.020 . 1 . . . . 42 ASN H . 6541 1 417 . 1 1 42 42 ASN HA H 1 5.160 0.020 . 1 . . . . 42 ASN HA . 6541 1 418 . 1 1 42 42 ASN HB2 H 1 2.488 0.020 . 1 . . . . 42 ASN HB2 . 6541 1 419 . 1 1 42 42 ASN HD21 H 1 7.473 0.020 . 2 . . . . 42 ASN HD21 . 6541 1 420 . 1 1 42 42 ASN HD22 H 1 6.667 0.020 . 2 . . . . 42 ASN HD22 . 6541 1 421 . 1 1 42 42 ASN C C 13 169.309 0.200 . 1 . . . . 42 ASN C . 6541 1 422 . 1 1 42 42 ASN CA C 13 51.232 0.200 . 1 . . . . 42 ASN CA . 6541 1 423 . 1 1 42 42 ASN CB C 13 39.026 0.200 . 1 . . . . 42 ASN CB . 6541 1 424 . 1 1 42 42 ASN N N 15 116.363 0.200 . 1 . . . . 42 ASN N . 6541 1 425 . 1 1 42 42 ASN ND2 N 15 112.032 0.200 . 1 . . . . 42 ASN ND2 . 6541 1 426 . 1 1 43 43 PRO HA H 1 4.732 0.020 . 1 . . . . 43 PRO HA . 6541 1 427 . 1 1 43 43 PRO HB2 H 1 1.894 0.020 . 1 . . . . 43 PRO HB2 . 6541 1 428 . 1 1 43 43 PRO HG2 H 1 1.895 0.020 . 1 . . . . 43 PRO HG2 . 6541 1 429 . 1 1 43 43 PRO HD3 H 1 3.272 0.020 . 1 . . . . 43 PRO HD3 . 6541 1 430 . 1 1 43 43 PRO C C 13 177.778 0.200 . 1 . . . . 43 PRO C . 6541 1 431 . 1 1 43 43 PRO CA C 13 62.412 0.200 . 1 . . . . 43 PRO CA . 6541 1 432 . 1 1 43 43 PRO CB C 13 31.536 0.200 . 1 . . . . 43 PRO CB . 6541 1 433 . 1 1 43 43 PRO CG C 13 27.044 0.200 . 1 . . . . 43 PRO CG . 6541 1 434 . 1 1 43 43 PRO CD C 13 49.561 0.200 . 1 . . . . 43 PRO CD . 6541 1 435 . 1 1 44 44 THR H H 1 8.669 0.020 . 1 . . . . 44 THR H . 6541 1 436 . 1 1 44 44 THR HA H 1 4.434 0.020 . 1 . . . . 44 THR HA . 6541 1 437 . 1 1 44 44 THR HB H 1 4.689 0.020 . 1 . . . . 44 THR HB . 6541 1 438 . 1 1 44 44 THR HG21 H 1 1.316 0.020 . 1 . . . . 44 THR HG2 . 6541 1 439 . 1 1 44 44 THR HG22 H 1 1.316 0.020 . 1 . . . . 44 THR HG2 . 6541 1 440 . 1 1 44 44 THR HG23 H 1 1.316 0.020 . 1 . . . . 44 THR HG2 . 6541 1 441 . 1 1 44 44 THR C C 13 175.243 0.200 . 1 . . . . 44 THR C . 6541 1 442 . 1 1 44 44 THR CA C 13 60.527 0.200 . 1 . . . . 44 THR CA . 6541 1 443 . 1 1 44 44 THR CB C 13 71.123 0.200 . 1 . . . . 44 THR CB . 6541 1 444 . 1 1 44 44 THR CG2 C 13 21.400 0.200 . 1 . . . . 44 THR CG2 . 6541 1 445 . 1 1 44 44 THR N N 15 112.931 0.200 . 1 . . . . 44 THR N . 6541 1 446 . 1 1 45 45 GLU H H 1 8.756 0.020 . 1 . . . . 45 GLU H . 6541 1 447 . 1 1 45 45 GLU HA H 1 3.958 0.020 . 1 . . . . 45 GLU HA . 6541 1 448 . 1 1 45 45 GLU HB2 H 1 2.014 0.020 . 1 . . . . 45 GLU HB2 . 6541 1 449 . 1 1 45 45 GLU HG2 H 1 2.285 0.020 . 1 . . . . 45 GLU HG2 . 6541 1 450 . 1 1 45 45 GLU C C 13 178.996 0.200 . 1 . . . . 45 GLU C . 6541 1 451 . 1 1 45 45 GLU CA C 13 60.041 0.200 . 1 . . . . 45 GLU CA . 6541 1 452 . 1 1 45 45 GLU CB C 13 28.703 0.200 . 1 . . . . 45 GLU CB . 6541 1 453 . 1 1 45 45 GLU CG C 13 35.937 0.200 . 1 . . . . 45 GLU CG . 6541 1 454 . 1 1 45 45 GLU N N 15 120.670 0.200 . 1 . . . . 45 GLU N . 6541 1 455 . 1 1 46 46 ALA H H 1 8.200 0.020 . 1 . . . . 46 ALA H . 6541 1 456 . 1 1 46 46 ALA HA H 1 4.084 0.020 . 1 . . . . 46 ALA HA . 6541 1 457 . 1 1 46 46 ALA HB1 H 1 1.349 0.020 . 1 . . . . 46 ALA HB . 6541 1 458 . 1 1 46 46 ALA HB2 H 1 1.349 0.020 . 1 . . . . 46 ALA HB . 6541 1 459 . 1 1 46 46 ALA HB3 H 1 1.349 0.020 . 1 . . . . 46 ALA HB . 6541 1 460 . 1 1 46 46 ALA C C 13 180.252 0.200 . 1 . . . . 46 ALA C . 6541 1 461 . 1 1 46 46 ALA CA C 13 54.959 0.200 . 1 . . . . 46 ALA CA . 6541 1 462 . 1 1 46 46 ALA CB C 13 17.737 0.200 . 1 . . . . 46 ALA CB . 6541 1 463 . 1 1 46 46 ALA N N 15 120.626 0.200 . 1 . . . . 46 ALA N . 6541 1 464 . 1 1 47 47 GLU H H 1 7.654 0.020 . 1 . . . . 47 GLU H . 6541 1 465 . 1 1 47 47 GLU HA H 1 4.007 0.020 . 1 . . . . 47 GLU HA . 6541 1 466 . 1 1 47 47 GLU HB2 H 1 2.277 0.020 . 1 . . . . 47 GLU HB2 . 6541 1 467 . 1 1 47 47 GLU HG2 H 1 2.262 0.020 . 1 . . . . 47 GLU HG2 . 6541 1 468 . 1 1 47 47 GLU C C 13 180.111 0.200 . 1 . . . . 47 GLU C . 6541 1 469 . 1 1 47 47 GLU CA C 13 59.046 0.200 . 1 . . . . 47 GLU CA . 6541 1 470 . 1 1 47 47 GLU CB C 13 29.466 0.200 . 1 . . . . 47 GLU CB . 6541 1 471 . 1 1 47 47 GLU CG C 13 37.016 0.200 . 1 . . . . 47 GLU CG . 6541 1 472 . 1 1 47 47 GLU N N 15 118.826 0.200 . 1 . . . . 47 GLU N . 6541 1 473 . 1 1 48 48 LEU H H 1 8.113 0.020 . 1 . . . . 48 LEU H . 6541 1 474 . 1 1 48 48 LEU HA H 1 4.057 0.020 . 1 . . . . 48 LEU HA . 6541 1 475 . 1 1 48 48 LEU HB3 H 1 1.237 0.020 . 1 . . . . 48 LEU HB3 . 6541 1 476 . 1 1 48 48 LEU HG H 1 1.717 0.020 . 1 . . . . 48 LEU HG . 6541 1 477 . 1 1 48 48 LEU HD11 H 1 0.807 0.020 . 1 . . . . 48 LEU HD1 . 6541 1 478 . 1 1 48 48 LEU HD12 H 1 0.807 0.020 . 1 . . . . 48 LEU HD1 . 6541 1 479 . 1 1 48 48 LEU HD13 H 1 0.807 0.020 . 1 . . . . 48 LEU HD1 . 6541 1 480 . 1 1 48 48 LEU C C 13 178.538 0.200 . 1 . . . . 48 LEU C . 6541 1 481 . 1 1 48 48 LEU CA C 13 57.850 0.200 . 1 . . . . 48 LEU CA . 6541 1 482 . 1 1 48 48 LEU CB C 13 41.940 0.200 . 1 . . . . 48 LEU CB . 6541 1 483 . 1 1 48 48 LEU CG C 13 26.434 0.200 . 1 . . . . 48 LEU CG . 6541 1 484 . 1 1 48 48 LEU CD1 C 13 25.124 0.200 . 1 . . . . 48 LEU CD1 . 6541 1 485 . 1 1 48 48 LEU N N 15 120.375 0.200 . 1 . . . . 48 LEU N . 6541 1 486 . 1 1 49 49 GLN H H 1 8.148 0.020 . 1 . . . . 49 GLN H . 6541 1 487 . 1 1 49 49 GLN HA H 1 3.818 0.020 . 1 . . . . 49 GLN HA . 6541 1 488 . 1 1 49 49 GLN HB2 H 1 2.167 0.020 . 1 . . . . 49 GLN HB2 . 6541 1 489 . 1 1 49 49 GLN HG2 H 1 2.386 0.020 . 1 . . . . 49 GLN HG2 . 6541 1 490 . 1 1 49 49 GLN HE21 H 1 7.432 0.020 . 2 . . . . 49 GLN HE21 . 6541 1 491 . 1 1 49 49 GLN HE22 H 1 6.816 0.020 . 2 . . . . 49 GLN HE22 . 6541 1 492 . 1 1 49 49 GLN C C 13 178.527 0.200 . 1 . . . . 49 GLN C . 6541 1 493 . 1 1 49 49 GLN CA C 13 58.558 0.200 . 1 . . . . 49 GLN CA . 6541 1 494 . 1 1 49 49 GLN CB C 13 27.851 0.200 . 1 . . . . 49 GLN CB . 6541 1 495 . 1 1 49 49 GLN CG C 13 33.792 0.200 . 1 . . . . 49 GLN CG . 6541 1 496 . 1 1 49 49 GLN N N 15 118.217 0.200 . 1 . . . . 49 GLN N . 6541 1 497 . 1 1 49 49 GLN NE2 N 15 112.721 0.200 . 1 . . . . 49 GLN NE2 . 6541 1 498 . 1 1 50 50 ASP H H 1 8.039 0.020 . 1 . . . . 50 ASP H . 6541 1 499 . 1 1 50 50 ASP HA H 1 4.399 0.020 . 1 . . . . 50 ASP HA . 6541 1 500 . 1 1 50 50 ASP HB2 H 1 2.763 0.020 . 1 . . . . 50 ASP HB2 . 6541 1 501 . 1 1 50 50 ASP C C 13 178.600 0.200 . 1 . . . . 50 ASP C . 6541 1 502 . 1 1 50 50 ASP CA C 13 57.544 0.200 . 1 . . . . 50 ASP CA . 6541 1 503 . 1 1 50 50 ASP CB C 13 40.131 0.200 . 1 . . . . 50 ASP CB . 6541 1 504 . 1 1 50 50 ASP N N 15 119.989 0.200 . 1 . . . . 50 ASP N . 6541 1 505 . 1 1 51 51 MET H H 1 7.828 0.020 . 1 . . . . 51 MET H . 6541 1 506 . 1 1 51 51 MET HA H 1 4.017 0.020 . 1 . . . . 51 MET HA . 6541 1 507 . 1 1 51 51 MET HB2 H 1 2.250 0.020 . 1 . . . . 51 MET HB2 . 6541 1 508 . 1 1 51 51 MET HG2 H 1 2.492 0.020 . 1 . . . . 51 MET HG2 . 6541 1 509 . 1 1 51 51 MET HE1 H 1 2.003 0.020 . 1 . . . . 51 MET HE . 6541 1 510 . 1 1 51 51 MET HE2 H 1 2.003 0.020 . 1 . . . . 51 MET HE . 6541 1 511 . 1 1 51 51 MET HE3 H 1 2.003 0.020 . 1 . . . . 51 MET HE . 6541 1 512 . 1 1 51 51 MET C C 13 178.893 0.200 . 1 . . . . 51 MET C . 6541 1 513 . 1 1 51 51 MET CA C 13 59.343 0.200 . 1 . . . . 51 MET CA . 6541 1 514 . 1 1 51 51 MET CB C 13 32.968 0.200 . 1 . . . . 51 MET CB . 6541 1 515 . 1 1 51 51 MET CG C 13 32.112 0.200 . 1 . . . . 51 MET CG . 6541 1 516 . 1 1 51 51 MET CE C 13 16.576 0.200 . 1 . . . . 51 MET CE . 6541 1 517 . 1 1 51 51 MET N N 15 119.264 0.200 . 1 . . . . 51 MET N . 6541 1 518 . 1 1 52 52 ILE H H 1 7.680 0.020 . 1 . . . . 52 ILE H . 6541 1 519 . 1 1 52 52 ILE HA H 1 3.493 0.020 . 1 . . . . 52 ILE HA . 6541 1 520 . 1 1 52 52 ILE HB H 1 1.901 0.020 . 1 . . . . 52 ILE HB . 6541 1 521 . 1 1 52 52 ILE HG12 H 1 0.966 0.020 . 1 . . . . 52 ILE HG12 . 6541 1 522 . 1 1 52 52 ILE HG21 H 1 0.642 0.020 . 1 . . . . 52 ILE HG2 . 6541 1 523 . 1 1 52 52 ILE HG22 H 1 0.642 0.020 . 1 . . . . 52 ILE HG2 . 6541 1 524 . 1 1 52 52 ILE HG23 H 1 0.642 0.020 . 1 . . . . 52 ILE HG2 . 6541 1 525 . 1 1 52 52 ILE HD11 H 1 0.678 0.020 . 1 . . . . 52 ILE HD1 . 6541 1 526 . 1 1 52 52 ILE HD12 H 1 0.678 0.020 . 1 . . . . 52 ILE HD1 . 6541 1 527 . 1 1 52 52 ILE HD13 H 1 0.678 0.020 . 1 . . . . 52 ILE HD1 . 6541 1 528 . 1 1 52 52 ILE C C 13 177.775 0.200 . 1 . . . . 52 ILE C . 6541 1 529 . 1 1 52 52 ILE CA C 13 64.843 0.200 . 1 . . . . 52 ILE CA . 6541 1 530 . 1 1 52 52 ILE CB C 13 37.072 0.200 . 1 . . . . 52 ILE CB . 6541 1 531 . 1 1 52 52 ILE CG1 C 13 28.498 0.200 . 1 . . . . 52 ILE CG1 . 6541 1 532 . 1 1 52 52 ILE CG2 C 13 15.534 0.200 . 1 . . . . 52 ILE CG2 . 6541 1 533 . 1 1 52 52 ILE CD1 C 13 12.297 0.200 . 1 . . . . 52 ILE CD1 . 6541 1 534 . 1 1 52 52 ILE N N 15 118.167 0.200 . 1 . . . . 52 ILE N . 6541 1 535 . 1 1 53 53 ASN H H 1 8.524 0.020 . 1 . . . . 53 ASN H . 6541 1 536 . 1 1 53 53 ASN HA H 1 4.365 0.020 . 1 . . . . 53 ASN HA . 6541 1 537 . 1 1 53 53 ASN HB2 H 1 2.959 0.020 . 1 . . . . 53 ASN HB2 . 6541 1 538 . 1 1 53 53 ASN HD21 H 1 7.774 0.020 . 2 . . . . 53 ASN HD21 . 6541 1 539 . 1 1 53 53 ASN HD22 H 1 6.876 0.020 . 2 . . . . 53 ASN HD22 . 6541 1 540 . 1 1 53 53 ASN C C 13 177.429 0.200 . 1 . . . . 53 ASN C . 6541 1 541 . 1 1 53 53 ASN CA C 13 55.930 0.200 . 1 . . . . 53 ASN CA . 6541 1 542 . 1 1 53 53 ASN CB C 13 37.863 0.200 . 1 . . . . 53 ASN CB . 6541 1 543 . 1 1 53 53 ASN N N 15 117.725 0.200 . 1 . . . . 53 ASN N . 6541 1 544 . 1 1 53 53 ASN ND2 N 15 111.680 0.200 . 1 . . . . 53 ASN ND2 . 6541 1 545 . 1 1 54 54 GLU H H 1 7.557 0.020 . 1 . . . . 54 GLU H . 6541 1 546 . 1 1 54 54 GLU HA H 1 4.020 0.020 . 1 . . . . 54 GLU HA . 6541 1 547 . 1 1 54 54 GLU HB2 H 1 2.096 0.020 . 1 . . . . 54 GLU HB2 . 6541 1 548 . 1 1 54 54 GLU HG2 H 1 2.226 0.020 . 1 . . . . 54 GLU HG2 . 6541 1 549 . 1 1 54 54 GLU C C 13 177.599 0.200 . 1 . . . . 54 GLU C . 6541 1 550 . 1 1 54 54 GLU CA C 13 58.843 0.200 . 1 . . . . 54 GLU CA . 6541 1 551 . 1 1 54 54 GLU CB C 13 30.030 0.200 . 1 . . . . 54 GLU CB . 6541 1 552 . 1 1 54 54 GLU CG C 13 35.908 0.200 . 1 . . . . 54 GLU CG . 6541 1 553 . 1 1 54 54 GLU N N 15 116.395 0.200 . 1 . . . . 54 GLU N . 6541 1 554 . 1 1 55 55 VAL H H 1 7.189 0.020 . 1 . . . . 55 VAL H . 6541 1 555 . 1 1 55 55 VAL HA H 1 4.446 0.020 . 1 . . . . 55 VAL HA . 6541 1 556 . 1 1 55 55 VAL HB H 1 2.341 0.020 . 1 . . . . 55 VAL HB . 6541 1 557 . 1 1 55 55 VAL HG21 H 1 0.853 0.020 . 1 . . . . 55 VAL HG2 . 6541 1 558 . 1 1 55 55 VAL HG22 H 1 0.853 0.020 . 1 . . . . 55 VAL HG2 . 6541 1 559 . 1 1 55 55 VAL HG23 H 1 0.853 0.020 . 1 . . . . 55 VAL HG2 . 6541 1 560 . 1 1 55 55 VAL C C 13 175.808 0.200 . 1 . . . . 55 VAL C . 6541 1 561 . 1 1 55 55 VAL CA C 13 60.743 0.200 . 1 . . . . 55 VAL CA . 6541 1 562 . 1 1 55 55 VAL CB C 13 32.387 0.200 . 1 . . . . 55 VAL CB . 6541 1 563 . 1 1 55 55 VAL CG2 C 13 18.772 0.200 . 1 . . . . 55 VAL CG2 . 6541 1 564 . 1 1 55 55 VAL N N 15 108.564 0.200 . 1 . . . . 55 VAL N . 6541 1 565 . 1 1 56 56 ASP H H 1 7.651 0.020 . 1 . . . . 56 ASP H . 6541 1 566 . 1 1 56 56 ASP HA H 1 4.617 0.020 . 1 . . . . 56 ASP HA . 6541 1 567 . 1 1 56 56 ASP HB2 H 1 2.527 0.020 . 1 . . . . 56 ASP HB2 . 6541 1 568 . 1 1 56 56 ASP C C 13 176.269 0.200 . 1 . . . . 56 ASP C . 6541 1 569 . 1 1 56 56 ASP CA C 13 53.794 0.200 . 1 . . . . 56 ASP CA . 6541 1 570 . 1 1 56 56 ASP CB C 13 39.875 0.200 . 1 . . . . 56 ASP CB . 6541 1 571 . 1 1 56 56 ASP N N 15 121.820 0.200 . 1 . . . . 56 ASP N . 6541 1 572 . 1 1 57 57 ALA H H 1 8.452 0.020 . 1 . . . . 57 ALA H . 6541 1 573 . 1 1 57 57 ALA HA H 1 4.182 0.020 . 1 . . . . 57 ALA HA . 6541 1 574 . 1 1 57 57 ALA HB1 H 1 1.481 0.020 . 1 . . . . 57 ALA HB . 6541 1 575 . 1 1 57 57 ALA HB2 H 1 1.481 0.020 . 1 . . . . 57 ALA HB . 6541 1 576 . 1 1 57 57 ALA HB3 H 1 1.481 0.020 . 1 . . . . 57 ALA HB . 6541 1 577 . 1 1 57 57 ALA C C 13 178.655 0.200 . 1 . . . . 57 ALA C . 6541 1 578 . 1 1 57 57 ALA CA C 13 54.203 0.200 . 1 . . . . 57 ALA CA . 6541 1 579 . 1 1 57 57 ALA CB C 13 19.020 0.200 . 1 . . . . 57 ALA CB . 6541 1 580 . 1 1 57 57 ALA N N 15 131.746 0.200 . 1 . . . . 57 ALA N . 6541 1 581 . 1 1 58 58 ASP H H 1 8.122 0.020 . 1 . . . . 58 ASP H . 6541 1 582 . 1 1 58 58 ASP HA H 1 4.621 0.020 . 1 . . . . 58 ASP HA . 6541 1 583 . 1 1 58 58 ASP HB2 H 1 3.005 0.020 . 1 . . . . 58 ASP HB2 . 6541 1 584 . 1 1 58 58 ASP C C 13 177.866 0.200 . 1 . . . . 58 ASP C . 6541 1 585 . 1 1 58 58 ASP CA C 13 52.648 0.200 . 1 . . . . 58 ASP CA . 6541 1 586 . 1 1 58 58 ASP CB C 13 39.540 0.200 . 1 . . . . 58 ASP CB . 6541 1 587 . 1 1 58 58 ASP N N 15 113.805 0.200 . 1 . . . . 58 ASP N . 6541 1 588 . 1 1 59 59 GLY H H 1 7.531 0.020 . 1 . . . . 59 GLY H . 6541 1 589 . 1 1 59 59 GLY HA3 H 1 3.866 0.020 . 1 . . . . 59 GLY HA3 . 6541 1 590 . 1 1 59 59 GLY C C 13 174.962 0.200 . 1 . . . . 59 GLY C . 6541 1 591 . 1 1 59 59 GLY CA C 13 47.044 0.200 . 1 . . . . 59 GLY CA . 6541 1 592 . 1 1 59 59 GLY N N 15 108.267 0.200 . 1 . . . . 59 GLY N . 6541 1 593 . 1 1 60 60 ASN H H 1 8.044 0.020 . 1 . . . . 60 ASN H . 6541 1 594 . 1 1 60 60 ASN HA H 1 4.624 0.020 . 1 . . . . 60 ASN HA . 6541 1 595 . 1 1 60 60 ASN HB2 H 1 3.273 0.020 . 1 . . . . 60 ASN HB2 . 6541 1 596 . 1 1 60 60 ASN HD21 H 1 7.679 0.020 . 2 . . . . 60 ASN HD21 . 6541 1 597 . 1 1 60 60 ASN HD22 H 1 6.962 0.020 . 2 . . . . 60 ASN HD22 . 6541 1 598 . 1 1 60 60 ASN C C 13 176.876 0.200 . 1 . . . . 60 ASN C . 6541 1 599 . 1 1 60 60 ASN CA C 13 52.580 0.200 . 1 . . . . 60 ASN CA . 6541 1 600 . 1 1 60 60 ASN CB C 13 37.465 0.200 . 1 . . . . 60 ASN CB . 6541 1 601 . 1 1 60 60 ASN N N 15 118.402 0.200 . 1 . . . . 60 ASN N . 6541 1 602 . 1 1 60 60 ASN ND2 N 15 115.193 0.200 . 1 . . . . 60 ASN ND2 . 6541 1 603 . 1 1 61 61 GLY H H 1 10.540 0.020 . 1 . . . . 61 GLY H . 6541 1 604 . 1 1 61 61 GLY HA3 H 1 4.166 0.020 . 1 . . . . 61 GLY HA3 . 6541 1 605 . 1 1 61 61 GLY C C 13 173.282 0.200 . 1 . . . . 61 GLY C . 6541 1 606 . 1 1 61 61 GLY CA C 13 45.520 0.200 . 1 . . . . 61 GLY CA . 6541 1 607 . 1 1 61 61 GLY N N 15 113.357 0.200 . 1 . . . . 61 GLY N . 6541 1 608 . 1 1 62 62 THR H H 1 7.650 0.020 . 1 . . . . 62 THR H . 6541 1 609 . 1 1 62 62 THR HA H 1 4.740 0.020 . 1 . . . . 62 THR HA . 6541 1 610 . 1 1 62 62 THR HB H 1 3.985 0.020 . 1 . . . . 62 THR HB . 6541 1 611 . 1 1 62 62 THR HG21 H 1 1.059 0.020 . 1 . . . . 62 THR HG2 . 6541 1 612 . 1 1 62 62 THR HG22 H 1 1.059 0.020 . 1 . . . . 62 THR HG2 . 6541 1 613 . 1 1 62 62 THR HG23 H 1 1.059 0.020 . 1 . . . . 62 THR HG2 . 6541 1 614 . 1 1 62 62 THR C C 13 173.236 0.200 . 1 . . . . 62 THR C . 6541 1 615 . 1 1 62 62 THR CA C 13 59.535 0.200 . 1 . . . . 62 THR CA . 6541 1 616 . 1 1 62 62 THR CB C 13 71.882 0.200 . 1 . . . . 62 THR CB . 6541 1 617 . 1 1 62 62 THR CG2 C 13 21.856 0.200 . 1 . . . . 62 THR CG2 . 6541 1 618 . 1 1 62 62 THR N N 15 109.094 0.200 . 1 . . . . 62 THR N . 6541 1 619 . 1 1 63 63 ILE H H 1 8.886 0.020 . 1 . . . . 63 ILE H . 6541 1 620 . 1 1 63 63 ILE HA H 1 5.159 0.020 . 1 . . . . 63 ILE HA . 6541 1 621 . 1 1 63 63 ILE HB H 1 2.030 0.020 . 1 . . . . 63 ILE HB . 6541 1 622 . 1 1 63 63 ILE HG12 H 1 0.949 0.020 . 1 . . . . 63 ILE HG12 . 6541 1 623 . 1 1 63 63 ILE HG21 H 1 1.158 0.020 . 1 . . . . 63 ILE HG2 . 6541 1 624 . 1 1 63 63 ILE HG22 H 1 1.158 0.020 . 1 . . . . 63 ILE HG2 . 6541 1 625 . 1 1 63 63 ILE HG23 H 1 1.158 0.020 . 1 . . . . 63 ILE HG2 . 6541 1 626 . 1 1 63 63 ILE HD11 H 1 0.740 0.020 . 1 . . . . 63 ILE HD1 . 6541 1 627 . 1 1 63 63 ILE HD12 H 1 0.740 0.020 . 1 . . . . 63 ILE HD1 . 6541 1 628 . 1 1 63 63 ILE HD13 H 1 0.740 0.020 . 1 . . . . 63 ILE HD1 . 6541 1 629 . 1 1 63 63 ILE C C 13 175.567 0.200 . 1 . . . . 63 ILE C . 6541 1 630 . 1 1 63 63 ILE CA C 13 60.027 0.200 . 1 . . . . 63 ILE CA . 6541 1 631 . 1 1 63 63 ILE CB C 13 39.468 0.200 . 1 . . . . 63 ILE CB . 6541 1 632 . 1 1 63 63 ILE CG1 C 13 26.880 0.200 . 1 . . . . 63 ILE CG1 . 6541 1 633 . 1 1 63 63 ILE CG2 C 13 17.779 0.200 . 1 . . . . 63 ILE CG2 . 6541 1 634 . 1 1 63 63 ILE CD1 C 13 12.922 0.200 . 1 . . . . 63 ILE CD1 . 6541 1 635 . 1 1 63 63 ILE N N 15 123.925 0.200 . 1 . . . . 63 ILE N . 6541 1 636 . 1 1 64 64 ASP H H 1 8.793 0.020 . 1 . . . . 64 ASP H . 6541 1 637 . 1 1 64 64 ASP HA H 1 5.340 0.020 . 1 . . . . 64 ASP HA . 6541 1 638 . 1 1 64 64 ASP HB2 H 1 3.068 0.020 . 1 . . . . 64 ASP HB2 . 6541 1 639 . 1 1 64 64 ASP C C 13 176.385 0.200 . 1 . . . . 64 ASP C . 6541 1 640 . 1 1 64 64 ASP CA C 13 52.174 0.200 . 1 . . . . 64 ASP CA . 6541 1 641 . 1 1 64 64 ASP CB C 13 41.940 0.200 . 1 . . . . 64 ASP CB . 6541 1 642 . 1 1 64 64 ASP N N 15 128.213 0.200 . 1 . . . . 64 ASP N . 6541 1 643 . 1 1 65 65 PHE H H 1 8.877 0.020 . 1 . . . . 65 PHE H . 6541 1 644 . 1 1 65 65 PHE HA H 1 3.997 0.020 . 1 . . . . 65 PHE HA . 6541 1 645 . 1 1 65 65 PHE HB3 H 1 2.792 0.020 . 1 . . . . 65 PHE HB3 . 6541 1 646 . 1 1 65 65 PHE HE1 H 1 7.177 0.020 . 1 . . . . 65 PHE HE1 . 6541 1 647 . 1 1 65 65 PHE HE2 H 1 7.177 0.020 . 1 . . . . 65 PHE HE2 . 6541 1 648 . 1 1 65 65 PHE C C 13 170.918 0.200 . 1 . . . . 65 PHE C . 6541 1 649 . 1 1 65 65 PHE CA C 13 63.585 0.200 . 1 . . . . 65 PHE CA . 6541 1 650 . 1 1 65 65 PHE CB C 13 35.592 0.200 . 1 . . . . 65 PHE CB . 6541 1 651 . 1 1 65 65 PHE CE1 C 13 130.445 0.200 . 1 . . . . 65 PHE CE1 . 6541 1 652 . 1 1 65 65 PHE N N 15 118.730 0.200 . 1 . . . . 65 PHE N . 6541 1 653 . 1 1 66 66 PRO HA H 1 3.850 0.020 . 1 . . . . 66 PRO HA . 6541 1 654 . 1 1 66 66 PRO HB2 H 1 1.866 0.020 . 1 . . . . 66 PRO HB2 . 6541 1 655 . 1 1 66 66 PRO HG2 H 1 2.149 0.020 . 1 . . . . 66 PRO HG2 . 6541 1 656 . 1 1 66 66 PRO HD3 H 1 3.719 0.020 . 1 . . . . 66 PRO HD3 . 6541 1 657 . 1 1 66 66 PRO C C 13 180.059 0.200 . 1 . . . . 66 PRO C . 6541 1 658 . 1 1 66 66 PRO CA C 13 66.625 0.200 . 1 . . . . 66 PRO CA . 6541 1 659 . 1 1 66 66 PRO CB C 13 30.301 0.200 . 1 . . . . 66 PRO CB . 6541 1 660 . 1 1 66 66 PRO CG C 13 28.001 0.200 . 1 . . . . 66 PRO CG . 6541 1 661 . 1 1 66 66 PRO CD C 13 48.770 0.200 . 1 . . . . 66 PRO CD . 6541 1 662 . 1 1 67 67 GLU H H 1 7.900 0.020 . 1 . . . . 67 GLU H . 6541 1 663 . 1 1 67 67 GLU HA H 1 4.088 0.020 . 1 . . . . 67 GLU HA . 6541 1 664 . 1 1 67 67 GLU HB2 H 1 2.550 0.020 . 1 . . . . 67 GLU HB2 . 6541 1 665 . 1 1 67 67 GLU HG2 H 1 2.453 0.020 . 1 . . . . 67 GLU HG2 . 6541 1 666 . 1 1 67 67 GLU C C 13 178.818 0.200 . 1 . . . . 67 GLU C . 6541 1 667 . 1 1 67 67 GLU CA C 13 58.723 0.200 . 1 . . . . 67 GLU CA . 6541 1 668 . 1 1 67 67 GLU CB C 13 29.222 0.200 . 1 . . . . 67 GLU CB . 6541 1 669 . 1 1 67 67 GLU CG C 13 36.621 0.200 . 1 . . . . 67 GLU CG . 6541 1 670 . 1 1 67 67 GLU N N 15 117.607 0.200 . 1 . . . . 67 GLU N . 6541 1 671 . 1 1 68 68 PHE H H 1 8.820 0.020 . 1 . . . . 68 PHE H . 6541 1 672 . 1 1 68 68 PHE HA H 1 3.940 0.020 . 1 . . . . 68 PHE HA . 6541 1 673 . 1 1 68 68 PHE HB3 H 1 3.472 0.020 . 1 . . . . 68 PHE HB3 . 6541 1 674 . 1 1 68 68 PHE HE1 H 1 7.111 0.020 . 1 . . . . 68 PHE HE1 . 6541 1 675 . 1 1 68 68 PHE HE2 H 1 7.111 0.020 . 1 . . . . 68 PHE HE2 . 6541 1 676 . 1 1 68 68 PHE C C 13 177.069 0.200 . 1 . . . . 68 PHE C . 6541 1 677 . 1 1 68 68 PHE CA C 13 61.214 0.200 . 1 . . . . 68 PHE CA . 6541 1 678 . 1 1 68 68 PHE CB C 13 39.610 0.200 . 1 . . . . 68 PHE CB . 6541 1 679 . 1 1 68 68 PHE CE1 C 13 131.320 0.200 . 1 . . . . 68 PHE CE1 . 6541 1 680 . 1 1 68 68 PHE N N 15 123.570 0.200 . 1 . . . . 68 PHE N . 6541 1 681 . 1 1 69 69 LEU H H 1 8.329 0.020 . 1 . . . . 69 LEU H . 6541 1 682 . 1 1 69 69 LEU HA H 1 3.326 0.020 . 1 . . . . 69 LEU HA . 6541 1 683 . 1 1 69 69 LEU HB3 H 1 1.091 0.020 . 1 . . . . 69 LEU HB3 . 6541 1 684 . 1 1 69 69 LEU HG H 1 0.977 0.020 . 1 . . . . 69 LEU HG . 6541 1 685 . 1 1 69 69 LEU HD11 H 1 0.542 0.020 . 1 . . . . 69 LEU HD1 . 6541 1 686 . 1 1 69 69 LEU HD12 H 1 0.542 0.020 . 1 . . . . 69 LEU HD1 . 6541 1 687 . 1 1 69 69 LEU HD13 H 1 0.542 0.020 . 1 . . . . 69 LEU HD1 . 6541 1 688 . 1 1 69 69 LEU C C 13 179.051 0.200 . 1 . . . . 69 LEU C . 6541 1 689 . 1 1 69 69 LEU CA C 13 57.936 0.200 . 1 . . . . 69 LEU CA . 6541 1 690 . 1 1 69 69 LEU CB C 13 40.617 0.200 . 1 . . . . 69 LEU CB . 6541 1 691 . 1 1 69 69 LEU CG C 13 25.286 0.200 . 1 . . . . 69 LEU CG . 6541 1 692 . 1 1 69 69 LEU CD1 C 13 24.813 0.200 . 1 . . . . 69 LEU CD1 . 6541 1 693 . 1 1 69 69 LEU N N 15 118.916 0.200 . 1 . . . . 69 LEU N . 6541 1 694 . 1 1 70 70 THR H H 1 7.465 0.020 . 1 . . . . 70 THR H . 6541 1 695 . 1 1 70 70 THR HA H 1 3.734 0.020 . 1 . . . . 70 THR HA . 6541 1 696 . 1 1 70 70 THR HB H 1 4.312 0.020 . 1 . . . . 70 THR HB . 6541 1 697 . 1 1 70 70 THR HG21 H 1 1.149 0.020 . 1 . . . . 70 THR HG2 . 6541 1 698 . 1 1 70 70 THR HG22 H 1 1.149 0.020 . 1 . . . . 70 THR HG2 . 6541 1 699 . 1 1 70 70 THR HG23 H 1 1.149 0.020 . 1 . . . . 70 THR HG2 . 6541 1 700 . 1 1 70 70 THR C C 13 175.958 0.200 . 1 . . . . 70 THR C . 6541 1 701 . 1 1 70 70 THR CA C 13 66.554 0.200 . 1 . . . . 70 THR CA . 6541 1 702 . 1 1 70 70 THR CB C 13 68.331 0.200 . 1 . . . . 70 THR CB . 6541 1 703 . 1 1 70 70 THR CG2 C 13 21.616 0.200 . 1 . . . . 70 THR CG2 . 6541 1 704 . 1 1 70 70 THR N N 15 115.163 0.200 . 1 . . . . 70 THR N . 6541 1 705 . 1 1 71 71 MET H H 1 7.746 0.020 . 1 . . . . 71 MET H . 6541 1 706 . 1 1 71 71 MET HA H 1 3.740 0.020 . 1 . . . . 71 MET HA . 6541 1 707 . 1 1 71 71 MET HB2 H 1 1.924 0.020 . 1 . . . . 71 MET HB2 . 6541 1 708 . 1 1 71 71 MET HG2 H 1 2.073 0.020 . 1 . . . . 71 MET HG2 . 6541 1 709 . 1 1 71 71 MET HE1 H 1 1.714 0.020 . 1 . . . . 71 MET HE . 6541 1 710 . 1 1 71 71 MET HE2 H 1 1.714 0.020 . 1 . . . . 71 MET HE . 6541 1 711 . 1 1 71 71 MET HE3 H 1 1.714 0.020 . 1 . . . . 71 MET HE . 6541 1 712 . 1 1 71 71 MET C C 13 178.148 0.200 . 1 . . . . 71 MET C . 6541 1 713 . 1 1 71 71 MET CA C 13 58.944 0.200 . 1 . . . . 71 MET CA . 6541 1 714 . 1 1 71 71 MET CB C 13 33.119 0.200 . 1 . . . . 71 MET CB . 6541 1 715 . 1 1 71 71 MET CG C 13 31.047 0.200 . 1 . . . . 71 MET CG . 6541 1 716 . 1 1 71 71 MET CE C 13 16.822 0.200 . 1 . . . . 71 MET CE . 6541 1 717 . 1 1 71 71 MET N N 15 121.605 0.200 . 1 . . . . 71 MET N . 6541 1 718 . 1 1 72 72 MET H H 1 8.011 0.020 . 1 . . . . 72 MET H . 6541 1 719 . 1 1 72 72 MET HA H 1 3.982 0.020 . 1 . . . . 72 MET HA . 6541 1 720 . 1 1 72 72 MET HB2 H 1 1.083 0.020 . 1 . . . . 72 MET HB2 . 6541 1 721 . 1 1 72 72 MET HG2 H 1 1.289 0.020 . 1 . . . . 72 MET HG2 . 6541 1 722 . 1 1 72 72 MET HE1 H 1 1.650 0.020 . 1 . . . . 72 MET HE . 6541 1 723 . 1 1 72 72 MET HE2 H 1 1.650 0.020 . 1 . . . . 72 MET HE . 6541 1 724 . 1 1 72 72 MET HE3 H 1 1.650 0.020 . 1 . . . . 72 MET HE . 6541 1 725 . 1 1 72 72 MET C C 13 178.525 0.200 . 1 . . . . 72 MET C . 6541 1 726 . 1 1 72 72 MET CA C 13 55.773 0.200 . 1 . . . . 72 MET CA . 6541 1 727 . 1 1 72 72 MET CB C 13 30.767 0.200 . 1 . . . . 72 MET CB . 6541 1 728 . 1 1 72 72 MET CG C 13 31.735 0.200 . 1 . . . . 72 MET CG . 6541 1 729 . 1 1 72 72 MET CE C 13 17.097 0.200 . 1 . . . . 72 MET CE . 6541 1 730 . 1 1 72 72 MET N N 15 116.542 0.200 . 1 . . . . 72 MET N . 6541 1 731 . 1 1 73 73 ALA H H 1 8.168 0.020 . 1 . . . . 73 ALA H . 6541 1 732 . 1 1 73 73 ALA HA H 1 4.063 0.020 . 1 . . . . 73 ALA HA . 6541 1 733 . 1 1 73 73 ALA HB1 H 1 1.338 0.020 . 1 . . . . 73 ALA HB . 6541 1 734 . 1 1 73 73 ALA HB2 H 1 1.338 0.020 . 1 . . . . 73 ALA HB . 6541 1 735 . 1 1 73 73 ALA HB3 H 1 1.338 0.020 . 1 . . . . 73 ALA HB . 6541 1 736 . 1 1 73 73 ALA C C 13 179.616 0.200 . 1 . . . . 73 ALA C . 6541 1 737 . 1 1 73 73 ALA CA C 13 54.434 0.200 . 1 . . . . 73 ALA CA . 6541 1 738 . 1 1 73 73 ALA CB C 13 17.760 0.200 . 1 . . . . 73 ALA CB . 6541 1 739 . 1 1 73 73 ALA N N 15 122.227 0.200 . 1 . . . . 73 ALA N . 6541 1 740 . 1 1 74 74 ARG H H 1 7.564 0.020 . 1 . . . . 74 ARG H . 6541 1 741 . 1 1 74 74 ARG HA H 1 4.063 0.020 . 1 . . . . 74 ARG HA . 6541 1 742 . 1 1 74 74 ARG HB3 H 1 1.841 0.020 . 1 . . . . 74 ARG HB3 . 6541 1 743 . 1 1 74 74 ARG HG3 H 1 1.713 0.020 . 1 . . . . 74 ARG HG3 . 6541 1 744 . 1 1 74 74 ARG HD2 H 1 3.045 0.020 . 1 . . . . 74 ARG HD2 . 6541 1 745 . 1 1 74 74 ARG C C 13 177.735 0.200 . 1 . . . . 74 ARG C . 6541 1 746 . 1 1 74 74 ARG CA C 13 58.102 0.200 . 1 . . . . 74 ARG CA . 6541 1 747 . 1 1 74 74 ARG CB C 13 29.839 0.200 . 1 . . . . 74 ARG CB . 6541 1 748 . 1 1 74 74 ARG CG C 13 26.945 0.200 . 1 . . . . 74 ARG CG . 6541 1 749 . 1 1 74 74 ARG CD C 13 43.325 0.200 . 1 . . . . 74 ARG CD . 6541 1 750 . 1 1 74 74 ARG N N 15 116.476 0.200 . 1 . . . . 74 ARG N . 6541 1 751 . 1 1 75 75 LYS H H 1 7.610 0.020 . 1 . . . . 75 LYS H . 6541 1 752 . 1 1 75 75 LYS HA H 1 4.200 0.020 . 1 . . . . 75 LYS HA . 6541 1 753 . 1 1 75 75 LYS HB3 H 1 1.851 0.020 . 1 . . . . 75 LYS HB3 . 6541 1 754 . 1 1 75 75 LYS HG3 H 1 1.443 0.020 . 1 . . . . 75 LYS HG3 . 6541 1 755 . 1 1 75 75 LYS HD3 H 1 1.587 0.020 . 1 . . . . 75 LYS HD3 . 6541 1 756 . 1 1 75 75 LYS HE2 H 1 2.878 0.020 . 1 . . . . 75 LYS HE2 . 6541 1 757 . 1 1 75 75 LYS C C 13 177.611 0.200 . 1 . . . . 75 LYS C . 6541 1 758 . 1 1 75 75 LYS CA C 13 57.143 0.200 . 1 . . . . 75 LYS CA . 6541 1 759 . 1 1 75 75 LYS CB C 13 32.103 0.200 . 1 . . . . 75 LYS CB . 6541 1 760 . 1 1 75 75 LYS CG C 13 24.213 0.200 . 1 . . . . 75 LYS CG . 6541 1 761 . 1 1 75 75 LYS CD C 13 28.339 0.200 . 1 . . . . 75 LYS CD . 6541 1 762 . 1 1 75 75 LYS CE C 13 41.702 0.200 . 1 . . . . 75 LYS CE . 6541 1 763 . 1 1 75 75 LYS N N 15 118.577 0.200 . 1 . . . . 75 LYS N . 6541 1 764 . 1 1 76 76 MET H H 1 7.800 0.020 . 1 . . . . 76 MET H . 6541 1 765 . 1 1 76 76 MET HA H 1 4.325 0.020 . 1 . . . . 76 MET HA . 6541 1 766 . 1 1 76 76 MET HB2 H 1 2.061 0.020 . 1 . . . . 76 MET HB2 . 6541 1 767 . 1 1 76 76 MET HG2 H 1 2.574 0.020 . 1 . . . . 76 MET HG2 . 6541 1 768 . 1 1 76 76 MET HE1 H 1 2.053 0.020 . 1 . . . . 76 MET HE . 6541 1 769 . 1 1 76 76 MET HE2 H 1 2.053 0.020 . 1 . . . . 76 MET HE . 6541 1 770 . 1 1 76 76 MET HE3 H 1 2.053 0.020 . 1 . . . . 76 MET HE . 6541 1 771 . 1 1 76 76 MET C C 13 176.443 0.200 . 1 . . . . 76 MET C . 6541 1 772 . 1 1 76 76 MET CA C 13 56.535 0.200 . 1 . . . . 76 MET CA . 6541 1 773 . 1 1 76 76 MET CB C 13 32.673 0.200 . 1 . . . . 76 MET CB . 6541 1 774 . 1 1 76 76 MET CG C 13 31.711 0.200 . 1 . . . . 76 MET CG . 6541 1 775 . 1 1 76 76 MET CE C 13 16.599 0.200 . 1 . . . . 76 MET CE . 6541 1 776 . 1 1 76 76 MET N N 15 118.509 0.200 . 1 . . . . 76 MET N . 6541 1 777 . 1 1 77 77 LYS H H 1 7.817 0.020 . 1 . . . . 77 LYS H . 6541 1 778 . 1 1 77 77 LYS HA H 1 4.300 0.020 . 1 . . . . 77 LYS HA . 6541 1 779 . 1 1 77 77 LYS HB3 H 1 1.837 0.020 . 1 . . . . 77 LYS HB3 . 6541 1 780 . 1 1 77 77 LYS HG3 H 1 1.429 0.020 . 1 . . . . 77 LYS HG3 . 6541 1 781 . 1 1 77 77 LYS HD3 H 1 1.632 0.020 . 1 . . . . 77 LYS HD3 . 6541 1 782 . 1 1 77 77 LYS HE2 H 1 2.951 0.020 . 1 . . . . 77 LYS HE2 . 6541 1 783 . 1 1 77 77 LYS C C 13 176.406 0.200 . 1 . . . . 77 LYS C . 6541 1 784 . 1 1 77 77 LYS CA C 13 56.527 0.200 . 1 . . . . 77 LYS CA . 6541 1 785 . 1 1 77 77 LYS CB C 13 32.619 0.200 . 1 . . . . 77 LYS CB . 6541 1 786 . 1 1 77 77 LYS CG C 13 24.029 0.200 . 1 . . . . 77 LYS CG . 6541 1 787 . 1 1 77 77 LYS CD C 13 28.543 0.200 . 1 . . . . 77 LYS CD . 6541 1 788 . 1 1 77 77 LYS CE C 13 41.771 0.200 . 1 . . . . 77 LYS CE . 6541 1 789 . 1 1 77 77 LYS N N 15 120.357 0.200 . 1 . . . . 77 LYS N . 6541 1 790 . 1 1 78 78 ASP H H 1 8.218 0.020 . 1 . . . . 78 ASP H . 6541 1 791 . 1 1 78 78 ASP HA H 1 4.670 0.020 . 1 . . . . 78 ASP HA . 6541 1 792 . 1 1 78 78 ASP HB2 H 1 2.642 0.020 . 1 . . . . 78 ASP HB2 . 6541 1 793 . 1 1 78 78 ASP C C 13 176.590 0.200 . 1 . . . . 78 ASP C . 6541 1 794 . 1 1 78 78 ASP CA C 13 54.576 0.200 . 1 . . . . 78 ASP CA . 6541 1 795 . 1 1 78 78 ASP CB C 13 40.895 0.200 . 1 . . . . 78 ASP CB . 6541 1 796 . 1 1 78 78 ASP N N 15 121.572 0.200 . 1 . . . . 78 ASP N . 6541 1 797 . 1 1 79 79 THR H H 1 8.031 0.020 . 1 . . . . 79 THR H . 6541 1 798 . 1 1 79 79 THR HA H 1 4.311 0.020 . 1 . . . . 79 THR HA . 6541 1 799 . 1 1 79 79 THR HB H 1 4.244 0.020 . 1 . . . . 79 THR HB . 6541 1 800 . 1 1 79 79 THR HG21 H 1 1.160 0.020 . 1 . . . . 79 THR HG2 . 6541 1 801 . 1 1 79 79 THR HG22 H 1 1.160 0.020 . 1 . . . . 79 THR HG2 . 6541 1 802 . 1 1 79 79 THR HG23 H 1 1.160 0.020 . 1 . . . . 79 THR HG2 . 6541 1 803 . 1 1 79 79 THR C C 13 174.547 0.200 . 1 . . . . 79 THR C . 6541 1 804 . 1 1 79 79 THR CA C 13 62.160 0.200 . 1 . . . . 79 THR CA . 6541 1 805 . 1 1 79 79 THR CB C 13 69.695 0.200 . 1 . . . . 79 THR CB . 6541 1 806 . 1 1 79 79 THR CG2 C 13 21.138 0.200 . 1 . . . . 79 THR CG2 . 6541 1 807 . 1 1 79 79 THR N N 15 114.417 0.200 . 1 . . . . 79 THR N . 6541 1 808 . 1 1 80 80 ASP H H 1 8.377 0.020 . 1 . . . . 80 ASP H . 6541 1 809 . 1 1 80 80 ASP HA H 1 4.694 0.020 . 1 . . . . 80 ASP HA . 6541 1 810 . 1 1 80 80 ASP HB2 H 1 2.675 0.020 . 1 . . . . 80 ASP HB2 . 6541 1 811 . 1 1 80 80 ASP C C 13 176.645 0.200 . 1 . . . . 80 ASP C . 6541 1 812 . 1 1 80 80 ASP CA C 13 54.614 0.200 . 1 . . . . 80 ASP CA . 6541 1 813 . 1 1 80 80 ASP CB C 13 41.061 0.200 . 1 . . . . 80 ASP CB . 6541 1 814 . 1 1 80 80 ASP N N 15 123.053 0.200 . 1 . . . . 80 ASP N . 6541 1 815 . 1 1 81 81 SER H H 1 8.324 0.020 . 1 . . . . 81 SER H . 6541 1 816 . 1 1 81 81 SER HA H 1 4.462 0.020 . 1 . . . . 81 SER HA . 6541 1 817 . 1 1 81 81 SER HB2 H 1 4.030 0.020 . 1 . . . . 81 SER HB2 . 6541 1 818 . 1 1 81 81 SER C C 13 175.410 0.200 . 1 . . . . 81 SER C . 6541 1 819 . 1 1 81 81 SER CA C 13 59.023 0.200 . 1 . . . . 81 SER CA . 6541 1 820 . 1 1 81 81 SER CB C 13 63.660 0.200 . 1 . . . . 81 SER CB . 6541 1 821 . 1 1 81 81 SER N N 15 116.800 0.200 . 1 . . . . 81 SER N . 6541 1 822 . 1 1 82 82 GLU H H 1 8.499 0.020 . 1 . . . . 82 GLU H . 6541 1 823 . 1 1 82 82 GLU HA H 1 4.134 0.020 . 1 . . . . 82 GLU HA . 6541 1 824 . 1 1 82 82 GLU HB2 H 1 2.070 0.020 . 1 . . . . 82 GLU HB2 . 6541 1 825 . 1 1 82 82 GLU HG2 H 1 2.269 0.020 . 1 . . . . 82 GLU HG2 . 6541 1 826 . 1 1 82 82 GLU C C 13 177.921 0.200 . 1 . . . . 82 GLU C . 6541 1 827 . 1 1 82 82 GLU CA C 13 58.786 0.200 . 1 . . . . 82 GLU CA . 6541 1 828 . 1 1 82 82 GLU CB C 13 29.204 0.200 . 1 . . . . 82 GLU CB . 6541 1 829 . 1 1 82 82 GLU CG C 13 36.143 0.200 . 1 . . . . 82 GLU CG . 6541 1 830 . 1 1 82 82 GLU N N 15 122.704 0.200 . 1 . . . . 82 GLU N . 6541 1 831 . 1 1 83 83 GLU H H 1 8.309 0.020 . 1 . . . . 83 GLU H . 6541 1 832 . 1 1 83 83 GLU HA H 1 4.035 0.020 . 1 . . . . 83 GLU HA . 6541 1 833 . 1 1 83 83 GLU HB2 H 1 2.065 0.020 . 1 . . . . 83 GLU HB2 . 6541 1 834 . 1 1 83 83 GLU HG2 H 1 2.301 0.020 . 1 . . . . 83 GLU HG2 . 6541 1 835 . 1 1 83 83 GLU C C 13 178.664 0.200 . 1 . . . . 83 GLU C . 6541 1 836 . 1 1 83 83 GLU CA C 13 59.475 0.200 . 1 . . . . 83 GLU CA . 6541 1 837 . 1 1 83 83 GLU CB C 13 28.966 0.200 . 1 . . . . 83 GLU CB . 6541 1 838 . 1 1 83 83 GLU CG C 13 35.830 0.200 . 1 . . . . 83 GLU CG . 6541 1 839 . 1 1 83 83 GLU N N 15 119.473 0.200 . 1 . . . . 83 GLU N . 6541 1 840 . 1 1 84 84 GLU H H 1 8.076 0.020 . 1 . . . . 84 GLU H . 6541 1 841 . 1 1 84 84 GLU HA H 1 4.136 0.020 . 1 . . . . 84 GLU HA . 6541 1 842 . 1 1 84 84 GLU HB2 H 1 2.162 0.020 . 1 . . . . 84 GLU HB2 . 6541 1 843 . 1 1 84 84 GLU HG2 H 1 2.295 0.020 . 1 . . . . 84 GLU HG2 . 6541 1 844 . 1 1 84 84 GLU C C 13 179.596 0.200 . 1 . . . . 84 GLU C . 6541 1 845 . 1 1 84 84 GLU CA C 13 59.298 0.200 . 1 . . . . 84 GLU CA . 6541 1 846 . 1 1 84 84 GLU CB C 13 29.198 0.200 . 1 . . . . 84 GLU CB . 6541 1 847 . 1 1 84 84 GLU CG C 13 36.236 0.200 . 1 . . . . 84 GLU CG . 6541 1 848 . 1 1 84 84 GLU N N 15 118.827 0.200 . 1 . . . . 84 GLU N . 6541 1 849 . 1 1 85 85 ILE H H 1 7.994 0.020 . 1 . . . . 85 ILE H . 6541 1 850 . 1 1 85 85 ILE HA H 1 4.001 0.020 . 1 . . . . 85 ILE HA . 6541 1 851 . 1 1 85 85 ILE HB H 1 2.128 0.020 . 1 . . . . 85 ILE HB . 6541 1 852 . 1 1 85 85 ILE HG12 H 1 1.051 0.020 . 1 . . . . 85 ILE HG12 . 6541 1 853 . 1 1 85 85 ILE HG21 H 1 1.056 0.020 . 1 . . . . 85 ILE HG2 . 6541 1 854 . 1 1 85 85 ILE HG22 H 1 1.056 0.020 . 1 . . . . 85 ILE HG2 . 6541 1 855 . 1 1 85 85 ILE HG23 H 1 1.056 0.020 . 1 . . . . 85 ILE HG2 . 6541 1 856 . 1 1 85 85 ILE HD11 H 1 0.729 0.020 . 1 . . . . 85 ILE HD1 . 6541 1 857 . 1 1 85 85 ILE HD12 H 1 0.729 0.020 . 1 . . . . 85 ILE HD1 . 6541 1 858 . 1 1 85 85 ILE HD13 H 1 0.729 0.020 . 1 . . . . 85 ILE HD1 . 6541 1 859 . 1 1 85 85 ILE C C 13 177.918 0.200 . 1 . . . . 85 ILE C . 6541 1 860 . 1 1 85 85 ILE CA C 13 64.705 0.200 . 1 . . . . 85 ILE CA . 6541 1 861 . 1 1 85 85 ILE CB C 13 37.208 0.200 . 1 . . . . 85 ILE CB . 6541 1 862 . 1 1 85 85 ILE CG1 C 13 28.599 0.200 . 1 . . . . 85 ILE CG1 . 6541 1 863 . 1 1 85 85 ILE CG2 C 13 18.446 0.200 . 1 . . . . 85 ILE CG2 . 6541 1 864 . 1 1 85 85 ILE CD1 C 13 12.474 0.200 . 1 . . . . 85 ILE CD1 . 6541 1 865 . 1 1 85 85 ILE N N 15 122.006 0.200 . 1 . . . . 85 ILE N . 6541 1 866 . 1 1 86 86 ARG H H 1 8.370 0.020 . 1 . . . . 86 ARG H . 6541 1 867 . 1 1 86 86 ARG HA H 1 4.148 0.020 . 1 . . . . 86 ARG HA . 6541 1 868 . 1 1 86 86 ARG HB3 H 1 1.828 0.020 . 1 . . . . 86 ARG HB3 . 6541 1 869 . 1 1 86 86 ARG HG3 H 1 1.680 0.020 . 1 . . . . 86 ARG HG3 . 6541 1 870 . 1 1 86 86 ARG HD2 H 1 2.964 0.020 . 1 . . . . 86 ARG HD2 . 6541 1 871 . 1 1 86 86 ARG C C 13 179.336 0.200 . 1 . . . . 86 ARG C . 6541 1 872 . 1 1 86 86 ARG CA C 13 60.039 0.200 . 1 . . . . 86 ARG CA . 6541 1 873 . 1 1 86 86 ARG CB C 13 29.488 0.200 . 1 . . . . 86 ARG CB . 6541 1 874 . 1 1 86 86 ARG CG C 13 27.058 0.200 . 1 . . . . 86 ARG CG . 6541 1 875 . 1 1 86 86 ARG CD C 13 42.885 0.200 . 1 . . . . 86 ARG CD . 6541 1 876 . 1 1 86 86 ARG N N 15 121.659 0.200 . 1 . . . . 86 ARG N . 6541 1 877 . 1 1 87 87 GLU H H 1 8.047 0.020 . 1 . . . . 87 GLU H . 6541 1 878 . 1 1 87 87 GLU HA H 1 4.118 0.020 . 1 . . . . 87 GLU HA . 6541 1 879 . 1 1 87 87 GLU HB2 H 1 2.124 0.020 . 1 . . . . 87 GLU HB2 . 6541 1 880 . 1 1 87 87 GLU HG2 H 1 2.308 0.020 . 1 . . . . 87 GLU HG2 . 6541 1 881 . 1 1 87 87 GLU C C 13 178.569 0.200 . 1 . . . . 87 GLU C . 6541 1 882 . 1 1 87 87 GLU CA C 13 58.973 0.200 . 1 . . . . 87 GLU CA . 6541 1 883 . 1 1 87 87 GLU CB C 13 28.836 0.200 . 1 . . . . 87 GLU CB . 6541 1 884 . 1 1 87 87 GLU CG C 13 35.552 0.200 . 1 . . . . 87 GLU CG . 6541 1 885 . 1 1 87 87 GLU N N 15 118.625 0.200 . 1 . . . . 87 GLU N . 6541 1 886 . 1 1 88 88 ALA H H 1 7.934 0.020 . 1 . . . . 88 ALA H . 6541 1 887 . 1 1 88 88 ALA HA H 1 4.184 0.020 . 1 . . . . 88 ALA HA . 6541 1 888 . 1 1 88 88 ALA HB1 H 1 1.744 0.020 . 1 . . . . 88 ALA HB . 6541 1 889 . 1 1 88 88 ALA HB2 H 1 1.744 0.020 . 1 . . . . 88 ALA HB . 6541 1 890 . 1 1 88 88 ALA HB3 H 1 1.744 0.020 . 1 . . . . 88 ALA HB . 6541 1 891 . 1 1 88 88 ALA C C 13 179.220 0.200 . 1 . . . . 88 ALA C . 6541 1 892 . 1 1 88 88 ALA CA C 13 55.025 0.200 . 1 . . . . 88 ALA CA . 6541 1 893 . 1 1 88 88 ALA CB C 13 17.253 0.200 . 1 . . . . 88 ALA CB . 6541 1 894 . 1 1 88 88 ALA N N 15 121.901 0.200 . 1 . . . . 88 ALA N . 6541 1 895 . 1 1 89 89 PHE H H 1 8.519 0.020 . 1 . . . . 89 PHE H . 6541 1 896 . 1 1 89 89 PHE HA H 1 3.119 0.020 . 1 . . . . 89 PHE HA . 6541 1 897 . 1 1 89 89 PHE HB3 H 1 3.189 0.020 . 1 . . . . 89 PHE HB3 . 6541 1 898 . 1 1 89 89 PHE HE1 H 1 6.968 0.020 . 1 . . . . 89 PHE HE1 . 6541 1 899 . 1 1 89 89 PHE HE2 H 1 6.968 0.020 . 1 . . . . 89 PHE HE2 . 6541 1 900 . 1 1 89 89 PHE C C 13 176.480 0.200 . 1 . . . . 89 PHE C . 6541 1 901 . 1 1 89 89 PHE CA C 13 62.097 0.200 . 1 . . . . 89 PHE CA . 6541 1 902 . 1 1 89 89 PHE CB C 13 38.698 0.200 . 1 . . . . 89 PHE CB . 6541 1 903 . 1 1 89 89 PHE CE1 C 13 130.939 0.200 . 1 . . . . 89 PHE CE1 . 6541 1 904 . 1 1 89 89 PHE N N 15 118.835 0.200 . 1 . . . . 89 PHE N . 6541 1 905 . 1 1 90 90 ARG H H 1 7.633 0.020 . 1 . . . . 90 ARG H . 6541 1 906 . 1 1 90 90 ARG HA H 1 3.869 0.020 . 1 . . . . 90 ARG HA . 6541 1 907 . 1 1 90 90 ARG HB3 H 1 1.924 0.020 . 1 . . . . 90 ARG HB3 . 6541 1 908 . 1 1 90 90 ARG HG3 H 1 1.860 0.020 . 1 . . . . 90 ARG HG3 . 6541 1 909 . 1 1 90 90 ARG HD2 H 1 3.208 0.020 . 1 . . . . 90 ARG HD2 . 6541 1 910 . 1 1 90 90 ARG C C 13 178.218 0.200 . 1 . . . . 90 ARG C . 6541 1 911 . 1 1 90 90 ARG CA C 13 58.780 0.200 . 1 . . . . 90 ARG CA . 6541 1 912 . 1 1 90 90 ARG CB C 13 29.820 0.200 . 1 . . . . 90 ARG CB . 6541 1 913 . 1 1 90 90 ARG CG C 13 27.313 0.200 . 1 . . . . 90 ARG CG . 6541 1 914 . 1 1 90 90 ARG CD C 13 43.206 0.200 . 1 . . . . 90 ARG CD . 6541 1 915 . 1 1 90 90 ARG N N 15 115.549 0.200 . 1 . . . . 90 ARG N . 6541 1 916 . 1 1 91 91 VAL H H 1 7.512 0.020 . 1 . . . . 91 VAL H . 6541 1 917 . 1 1 91 91 VAL HA H 1 3.495 0.020 . 1 . . . . 91 VAL HA . 6541 1 918 . 1 1 91 91 VAL HB H 1 2.105 0.020 . 1 . . . . 91 VAL HB . 6541 1 919 . 1 1 91 91 VAL HG21 H 1 0.945 0.020 . 1 . . . . 91 VAL HG2 . 6541 1 920 . 1 1 91 91 VAL HG22 H 1 0.945 0.020 . 1 . . . . 91 VAL HG2 . 6541 1 921 . 1 1 91 91 VAL HG23 H 1 0.945 0.020 . 1 . . . . 91 VAL HG2 . 6541 1 922 . 1 1 91 91 VAL C C 13 177.398 0.200 . 1 . . . . 91 VAL C . 6541 1 923 . 1 1 91 91 VAL CA C 13 65.593 0.200 . 1 . . . . 91 VAL CA . 6541 1 924 . 1 1 91 91 VAL CB C 13 31.260 0.200 . 1 . . . . 91 VAL CB . 6541 1 925 . 1 1 91 91 VAL CG2 C 13 22.067 0.200 . 1 . . . . 91 VAL CG2 . 6541 1 926 . 1 1 91 91 VAL N N 15 118.347 0.200 . 1 . . . . 91 VAL N . 6541 1 927 . 1 1 92 92 PHE H H 1 7.500 0.020 . 1 . . . . 92 PHE H . 6541 1 928 . 1 1 92 92 PHE HA H 1 4.222 0.020 . 1 . . . . 92 PHE HA . 6541 1 929 . 1 1 92 92 PHE HB3 H 1 2.652 0.020 . 1 . . . . 92 PHE HB3 . 6541 1 930 . 1 1 92 92 PHE HE1 H 1 7.351 0.020 . 1 . . . . 92 PHE HE1 . 6541 1 931 . 1 1 92 92 PHE HE2 H 1 7.351 0.020 . 1 . . . . 92 PHE HE2 . 6541 1 932 . 1 1 92 92 PHE C C 13 177.001 0.200 . 1 . . . . 92 PHE C . 6541 1 933 . 1 1 92 92 PHE CA C 13 59.911 0.200 . 1 . . . . 92 PHE CA . 6541 1 934 . 1 1 92 92 PHE CB C 13 39.881 0.200 . 1 . . . . 92 PHE CB . 6541 1 935 . 1 1 92 92 PHE CE1 C 13 130.846 0.200 . 1 . . . . 92 PHE CE1 . 6541 1 936 . 1 1 92 92 PHE N N 15 116.488 0.200 . 1 . . . . 92 PHE N . 6541 1 937 . 1 1 93 93 ASP H H 1 7.791 0.020 . 1 . . . . 93 ASP H . 6541 1 938 . 1 1 93 93 ASP HA H 1 4.521 0.020 . 1 . . . . 93 ASP HA . 6541 1 939 . 1 1 93 93 ASP HB2 H 1 1.356 0.020 . 1 . . . . 93 ASP HB2 . 6541 1 940 . 1 1 93 93 ASP C C 13 177.491 0.200 . 1 . . . . 93 ASP C . 6541 1 941 . 1 1 93 93 ASP CA C 13 52.281 0.200 . 1 . . . . 93 ASP CA . 6541 1 942 . 1 1 93 93 ASP CB C 13 38.005 0.200 . 1 . . . . 93 ASP CB . 6541 1 943 . 1 1 93 93 ASP N N 15 117.006 0.200 . 1 . . . . 93 ASP N . 6541 1 944 . 1 1 94 94 LYS H H 1 7.677 0.020 . 1 . . . . 94 LYS H . 6541 1 945 . 1 1 94 94 LYS HA H 1 3.892 0.020 . 1 . . . . 94 LYS HA . 6541 1 946 . 1 1 94 94 LYS HB3 H 1 1.798 0.020 . 1 . . . . 94 LYS HB3 . 6541 1 947 . 1 1 94 94 LYS HG3 H 1 1.485 0.020 . 1 . . . . 94 LYS HG3 . 6541 1 948 . 1 1 94 94 LYS HD3 H 1 1.598 0.020 . 1 . . . . 94 LYS HD3 . 6541 1 949 . 1 1 94 94 LYS HE2 H 1 2.806 0.020 . 1 . . . . 94 LYS HE2 . 6541 1 950 . 1 1 94 94 LYS C C 13 178.297 0.200 . 1 . . . . 94 LYS C . 6541 1 951 . 1 1 94 94 LYS CA C 13 58.920 0.200 . 1 . . . . 94 LYS CA . 6541 1 952 . 1 1 94 94 LYS CB C 13 32.307 0.200 . 1 . . . . 94 LYS CB . 6541 1 953 . 1 1 94 94 LYS CG C 13 23.748 0.200 . 1 . . . . 94 LYS CG . 6541 1 954 . 1 1 94 94 LYS CD C 13 27.927 0.200 . 1 . . . . 94 LYS CD . 6541 1 955 . 1 1 94 94 LYS CE C 13 41.405 0.200 . 1 . . . . 94 LYS CE . 6541 1 956 . 1 1 94 94 LYS N N 15 125.892 0.200 . 1 . . . . 94 LYS N . 6541 1 957 . 1 1 95 95 ASP H H 1 8.176 0.020 . 1 . . . . 95 ASP H . 6541 1 958 . 1 1 95 95 ASP HA H 1 4.543 0.020 . 1 . . . . 95 ASP HA . 6541 1 959 . 1 1 95 95 ASP HB2 H 1 3.046 0.020 . 1 . . . . 95 ASP HB2 . 6541 1 960 . 1 1 95 95 ASP C C 13 177.734 0.200 . 1 . . . . 95 ASP C . 6541 1 961 . 1 1 95 95 ASP CA C 13 53.000 0.200 . 1 . . . . 95 ASP CA . 6541 1 962 . 1 1 95 95 ASP CB C 13 39.342 0.200 . 1 . . . . 95 ASP CB . 6541 1 963 . 1 1 95 95 ASP N N 15 114.077 0.200 . 1 . . . . 95 ASP N . 6541 1 964 . 1 1 96 96 GLY H H 1 7.741 0.020 . 1 . . . . 96 GLY H . 6541 1 965 . 1 1 96 96 GLY HA3 H 1 3.825 0.020 . 1 . . . . 96 GLY HA3 . 6541 1 966 . 1 1 96 96 GLY C C 13 175.116 0.200 . 1 . . . . 96 GLY C . 6541 1 967 . 1 1 96 96 GLY CA C 13 46.962 0.200 . 1 . . . . 96 GLY CA . 6541 1 968 . 1 1 96 96 GLY N N 15 109.201 0.200 . 1 . . . . 96 GLY N . 6541 1 969 . 1 1 97 97 ASN H H 1 8.293 0.020 . 1 . . . . 97 ASN H . 6541 1 970 . 1 1 97 97 ASN HA H 1 4.632 0.020 . 1 . . . . 97 ASN HA . 6541 1 971 . 1 1 97 97 ASN HB2 H 1 3.378 0.020 . 1 . . . . 97 ASN HB2 . 6541 1 972 . 1 1 97 97 ASN HD21 H 1 7.986 0.020 . 2 . . . . 97 ASN HD21 . 6541 1 973 . 1 1 97 97 ASN HD22 H 1 7.265 0.020 . 2 . . . . 97 ASN HD22 . 6541 1 974 . 1 1 97 97 ASN C C 13 176.091 0.200 . 1 . . . . 97 ASN C . 6541 1 975 . 1 1 97 97 ASN CA C 13 52.671 0.200 . 1 . . . . 97 ASN CA . 6541 1 976 . 1 1 97 97 ASN CB C 13 37.941 0.200 . 1 . . . . 97 ASN CB . 6541 1 977 . 1 1 97 97 ASN N N 15 119.484 0.200 . 1 . . . . 97 ASN N . 6541 1 978 . 1 1 97 97 ASN ND2 N 15 116.156 0.200 . 1 . . . . 97 ASN ND2 . 6541 1 979 . 1 1 98 98 GLY H H 1 10.590 0.020 . 1 . . . . 98 GLY H . 6541 1 980 . 1 1 98 98 GLY HA3 H 1 4.023 0.020 . 1 . . . . 98 GLY HA3 . 6541 1 981 . 1 1 98 98 GLY C C 13 172.420 0.200 . 1 . . . . 98 GLY C . 6541 1 982 . 1 1 98 98 GLY CA C 13 44.926 0.200 . 1 . . . . 98 GLY CA . 6541 1 983 . 1 1 98 98 GLY N N 15 112.901 0.200 . 1 . . . . 98 GLY N . 6541 1 984 . 1 1 99 99 TYR H H 1 7.581 0.020 . 1 . . . . 99 TYR H . 6541 1 985 . 1 1 99 99 TYR HA H 1 5.033 0.020 . 1 . . . . 99 TYR HA . 6541 1 986 . 1 1 99 99 TYR HB3 H 1 2.497 0.020 . 1 . . . . 99 TYR HB3 . 6541 1 987 . 1 1 99 99 TYR HE1 H 1 6.904 0.020 . 1 . . . . 99 TYR HE1 . 6541 1 988 . 1 1 99 99 TYR HE2 H 1 6.904 0.020 . 1 . . . . 99 TYR HE2 . 6541 1 989 . 1 1 99 99 TYR C C 13 174.588 0.200 . 1 . . . . 99 TYR C . 6541 1 990 . 1 1 99 99 TYR CA C 13 56.025 0.200 . 1 . . . . 99 TYR CA . 6541 1 991 . 1 1 99 99 TYR CB C 13 42.751 0.200 . 1 . . . . 99 TYR CB . 6541 1 992 . 1 1 99 99 TYR CE1 C 13 118.190 0.200 . 1 . . . . 99 TYR CE1 . 6541 1 993 . 1 1 99 99 TYR N N 15 115.802 0.200 . 1 . . . . 99 TYR N . 6541 1 994 . 1 1 100 100 ILE H H 1 10.087 0.020 . 1 . . . . 100 ILE H . 6541 1 995 . 1 1 100 100 ILE HA H 1 4.816 0.020 . 1 . . . . 100 ILE HA . 6541 1 996 . 1 1 100 100 ILE HB H 1 1.842 0.020 . 1 . . . . 100 ILE HB . 6541 1 997 . 1 1 100 100 ILE HG12 H 1 0.325 0.020 . 1 . . . . 100 ILE HG12 . 6541 1 998 . 1 1 100 100 ILE HG21 H 1 0.895 0.020 . 1 . . . . 100 ILE HG2 . 6541 1 999 . 1 1 100 100 ILE HG22 H 1 0.895 0.020 . 1 . . . . 100 ILE HG2 . 6541 1 1000 . 1 1 100 100 ILE HG23 H 1 0.895 0.020 . 1 . . . . 100 ILE HG2 . 6541 1 1001 . 1 1 100 100 ILE HD11 H 1 0.206 0.020 . 1 . . . . 100 ILE HD1 . 6541 1 1002 . 1 1 100 100 ILE HD12 H 1 0.206 0.020 . 1 . . . . 100 ILE HD1 . 6541 1 1003 . 1 1 100 100 ILE HD13 H 1 0.206 0.020 . 1 . . . . 100 ILE HD1 . 6541 1 1004 . 1 1 100 100 ILE C C 13 175.576 0.200 . 1 . . . . 100 ILE C . 6541 1 1005 . 1 1 100 100 ILE CA C 13 60.274 0.200 . 1 . . . . 100 ILE CA . 6541 1 1006 . 1 1 100 100 ILE CB C 13 38.387 0.200 . 1 . . . . 100 ILE CB . 6541 1 1007 . 1 1 100 100 ILE CG1 C 13 26.594 0.200 . 1 . . . . 100 ILE CG1 . 6541 1 1008 . 1 1 100 100 ILE CG2 C 13 17.308 0.200 . 1 . . . . 100 ILE CG2 . 6541 1 1009 . 1 1 100 100 ILE CD1 C 13 14.377 0.200 . 1 . . . . 100 ILE CD1 . 6541 1 1010 . 1 1 100 100 ILE N N 15 127.366 0.200 . 1 . . . . 100 ILE N . 6541 1 1011 . 1 1 101 101 SER H H 1 8.947 0.020 . 1 . . . . 101 SER H . 6541 1 1012 . 1 1 101 101 SER HA H 1 4.829 0.020 . 1 . . . . 101 SER HA . 6541 1 1013 . 1 1 101 101 SER HB2 H 1 4.393 0.020 . 1 . . . . 101 SER HB2 . 6541 1 1014 . 1 1 101 101 SER C C 13 175.275 0.200 . 1 . . . . 101 SER C . 6541 1 1015 . 1 1 101 101 SER CA C 13 55.835 0.200 . 1 . . . . 101 SER CA . 6541 1 1016 . 1 1 101 101 SER CB C 13 66.337 0.200 . 1 . . . . 101 SER CB . 6541 1 1017 . 1 1 101 101 SER N N 15 123.769 0.200 . 1 . . . . 101 SER N . 6541 1 1018 . 1 1 102 102 ALA H H 1 9.156 0.020 . 1 . . . . 102 ALA H . 6541 1 1019 . 1 1 102 102 ALA HA H 1 3.900 0.020 . 1 . . . . 102 ALA HA . 6541 1 1020 . 1 1 102 102 ALA HB1 H 1 1.434 0.020 . 1 . . . . 102 ALA HB . 6541 1 1021 . 1 1 102 102 ALA HB2 H 1 1.434 0.020 . 1 . . . . 102 ALA HB . 6541 1 1022 . 1 1 102 102 ALA HB3 H 1 1.434 0.020 . 1 . . . . 102 ALA HB . 6541 1 1023 . 1 1 102 102 ALA C C 13 179.352 0.200 . 1 . . . . 102 ALA C . 6541 1 1024 . 1 1 102 102 ALA CA C 13 55.918 0.200 . 1 . . . . 102 ALA CA . 6541 1 1025 . 1 1 102 102 ALA CB C 13 17.514 0.200 . 1 . . . . 102 ALA CB . 6541 1 1026 . 1 1 102 102 ALA N N 15 122.942 0.200 . 1 . . . . 102 ALA N . 6541 1 1027 . 1 1 103 103 ALA H H 1 8.178 0.020 . 1 . . . . 103 ALA H . 6541 1 1028 . 1 1 103 103 ALA HA H 1 4.017 0.020 . 1 . . . . 103 ALA HA . 6541 1 1029 . 1 1 103 103 ALA HB1 H 1 1.378 0.020 . 1 . . . . 103 ALA HB . 6541 1 1030 . 1 1 103 103 ALA HB2 H 1 1.378 0.020 . 1 . . . . 103 ALA HB . 6541 1 1031 . 1 1 103 103 ALA HB3 H 1 1.378 0.020 . 1 . . . . 103 ALA HB . 6541 1 1032 . 1 1 103 103 ALA C C 13 181.339 0.200 . 1 . . . . 103 ALA C . 6541 1 1033 . 1 1 103 103 ALA CA C 13 55.080 0.200 . 1 . . . . 103 ALA CA . 6541 1 1034 . 1 1 103 103 ALA CB C 13 17.907 0.200 . 1 . . . . 103 ALA CB . 6541 1 1035 . 1 1 103 103 ALA N N 15 118.263 0.200 . 1 . . . . 103 ALA N . 6541 1 1036 . 1 1 104 104 GLU H H 1 7.801 0.020 . 1 . . . . 104 GLU H . 6541 1 1037 . 1 1 104 104 GLU HA H 1 4.040 0.020 . 1 . . . . 104 GLU HA . 6541 1 1038 . 1 1 104 104 GLU HB2 H 1 2.507 0.020 . 1 . . . . 104 GLU HB2 . 6541 1 1039 . 1 1 104 104 GLU HG2 H 1 2.293 0.020 . 1 . . . . 104 GLU HG2 . 6541 1 1040 . 1 1 104 104 GLU C C 13 179.286 0.200 . 1 . . . . 104 GLU C . 6541 1 1041 . 1 1 104 104 GLU CA C 13 59.265 0.200 . 1 . . . . 104 GLU CA . 6541 1 1042 . 1 1 104 104 GLU CB C 13 28.922 0.200 . 1 . . . . 104 GLU CB . 6541 1 1043 . 1 1 104 104 GLU CG C 13 37.571 0.200 . 1 . . . . 104 GLU CG . 6541 1 1044 . 1 1 104 104 GLU N N 15 119.679 0.200 . 1 . . . . 104 GLU N . 6541 1 1045 . 1 1 105 105 LEU H H 1 8.547 0.020 . 1 . . . . 105 LEU H . 6541 1 1046 . 1 1 105 105 LEU HA H 1 4.088 0.020 . 1 . . . . 105 LEU HA . 6541 1 1047 . 1 1 105 105 LEU HB3 H 1 1.827 0.020 . 1 . . . . 105 LEU HB3 . 6541 1 1048 . 1 1 105 105 LEU HG H 1 1.595 0.020 . 1 . . . . 105 LEU HG . 6541 1 1049 . 1 1 105 105 LEU HD11 H 1 0.827 0.020 . 1 . . . . 105 LEU HD1 . 6541 1 1050 . 1 1 105 105 LEU HD12 H 1 0.827 0.020 . 1 . . . . 105 LEU HD1 . 6541 1 1051 . 1 1 105 105 LEU HD13 H 1 0.827 0.020 . 1 . . . . 105 LEU HD1 . 6541 1 1052 . 1 1 105 105 LEU C C 13 178.530 0.200 . 1 . . . . 105 LEU C . 6541 1 1053 . 1 1 105 105 LEU CA C 13 58.228 0.200 . 1 . . . . 105 LEU CA . 6541 1 1054 . 1 1 105 105 LEU CB C 13 41.671 0.200 . 1 . . . . 105 LEU CB . 6541 1 1055 . 1 1 105 105 LEU CG C 13 26.696 0.200 . 1 . . . . 105 LEU CG . 6541 1 1056 . 1 1 105 105 LEU CD1 C 13 23.814 0.200 . 1 . . . . 105 LEU CD1 . 6541 1 1057 . 1 1 105 105 LEU N N 15 121.039 0.200 . 1 . . . . 105 LEU N . 6541 1 1058 . 1 1 106 106 ARG H H 1 8.490 0.020 . 1 . . . . 106 ARG H . 6541 1 1059 . 1 1 106 106 ARG HA H 1 3.793 0.020 . 1 . . . . 106 ARG HA . 6541 1 1060 . 1 1 106 106 ARG HB3 H 1 1.900 0.020 . 1 . . . . 106 ARG HB3 . 6541 1 1061 . 1 1 106 106 ARG HG3 H 1 1.618 0.020 . 1 . . . . 106 ARG HG3 . 6541 1 1062 . 1 1 106 106 ARG HD2 H 1 3.114 0.020 . 1 . . . . 106 ARG HD2 . 6541 1 1063 . 1 1 106 106 ARG C C 13 178.659 0.200 . 1 . . . . 106 ARG C . 6541 1 1064 . 1 1 106 106 ARG CA C 13 59.808 0.200 . 1 . . . . 106 ARG CA . 6541 1 1065 . 1 1 106 106 ARG CB C 13 30.068 0.200 . 1 . . . . 106 ARG CB . 6541 1 1066 . 1 1 106 106 ARG CG C 13 27.330 0.200 . 1 . . . . 106 ARG CG . 6541 1 1067 . 1 1 106 106 ARG CD C 13 43.361 0.200 . 1 . . . . 106 ARG CD . 6541 1 1068 . 1 1 106 106 ARG N N 15 117.424 0.200 . 1 . . . . 106 ARG N . 6541 1 1069 . 1 1 107 107 HIS H H 1 7.871 0.020 . 1 . . . . 107 HIS H . 6541 1 1070 . 1 1 107 107 HIS HA H 1 4.310 0.020 . 1 . . . . 107 HIS HA . 6541 1 1071 . 1 1 107 107 HIS HB3 H 1 3.301 0.020 . 1 . . . . 107 HIS HB3 . 6541 1 1072 . 1 1 107 107 HIS HD2 H 1 6.961 0.020 . 1 . . . . 107 HIS HD2 . 6541 1 1073 . 1 1 107 107 HIS HE1 H 1 7.850 0.020 . 1 . . . . 107 HIS HE1 . 6541 1 1074 . 1 1 107 107 HIS C C 13 177.407 0.200 . 1 . . . . 107 HIS C . 6541 1 1075 . 1 1 107 107 HIS CA C 13 59.465 0.200 . 1 . . . . 107 HIS CA . 6541 1 1076 . 1 1 107 107 HIS CB C 13 30.259 0.200 . 1 . . . . 107 HIS CB . 6541 1 1077 . 1 1 107 107 HIS CD2 C 13 120.426 0.200 . 1 . . . . 107 HIS CD2 . 6541 1 1078 . 1 1 107 107 HIS CE1 C 13 138.686 0.200 . 1 . . . . 107 HIS CE1 . 6541 1 1079 . 1 1 107 107 HIS N N 15 118.677 0.200 . 1 . . . . 107 HIS N . 6541 1 1080 . 1 1 108 108 VAL H H 1 7.887 0.020 . 1 . . . . 108 VAL H . 6541 1 1081 . 1 1 108 108 VAL HA H 1 3.487 0.020 . 1 . . . . 108 VAL HA . 6541 1 1082 . 1 1 108 108 VAL HB H 1 1.937 0.020 . 1 . . . . 108 VAL HB . 6541 1 1083 . 1 1 108 108 VAL HG21 H 1 0.774 0.020 . 1 . . . . 108 VAL HG2 . 6541 1 1084 . 1 1 108 108 VAL HG22 H 1 0.774 0.020 . 1 . . . . 108 VAL HG2 . 6541 1 1085 . 1 1 108 108 VAL HG23 H 1 0.774 0.020 . 1 . . . . 108 VAL HG2 . 6541 1 1086 . 1 1 108 108 VAL C C 13 178.015 0.200 . 1 . . . . 108 VAL C . 6541 1 1087 . 1 1 108 108 VAL CA C 13 65.963 0.200 . 1 . . . . 108 VAL CA . 6541 1 1088 . 1 1 108 108 VAL CB C 13 31.493 0.200 . 1 . . . . 108 VAL CB . 6541 1 1089 . 1 1 108 108 VAL CG2 C 13 22.339 0.200 . 1 . . . . 108 VAL CG2 . 6541 1 1090 . 1 1 108 108 VAL N N 15 118.754 0.200 . 1 . . . . 108 VAL N . 6541 1 1091 . 1 1 109 109 MET H H 1 8.196 0.020 . 1 . . . . 109 MET H . 6541 1 1092 . 1 1 109 109 MET HA H 1 4.328 0.020 . 1 . . . . 109 MET HA . 6541 1 1093 . 1 1 109 109 MET HB2 H 1 2.116 0.020 . 1 . . . . 109 MET HB2 . 6541 1 1094 . 1 1 109 109 MET HG2 H 1 2.717 0.020 . 1 . . . . 109 MET HG2 . 6541 1 1095 . 1 1 109 109 MET HE1 H 1 2.003 0.020 . 1 . . . . 109 MET HE . 6541 1 1096 . 1 1 109 109 MET HE2 H 1 2.003 0.020 . 1 . . . . 109 MET HE . 6541 1 1097 . 1 1 109 109 MET HE3 H 1 2.003 0.020 . 1 . . . . 109 MET HE . 6541 1 1098 . 1 1 109 109 MET C C 13 178.593 0.200 . 1 . . . . 109 MET C . 6541 1 1099 . 1 1 109 109 MET CA C 13 57.539 0.200 . 1 . . . . 109 MET CA . 6541 1 1100 . 1 1 109 109 MET CB C 13 31.022 0.200 . 1 . . . . 109 MET CB . 6541 1 1101 . 1 1 109 109 MET CG C 13 32.644 0.200 . 1 . . . . 109 MET CG . 6541 1 1102 . 1 1 109 109 MET CE C 13 17.100 0.200 . 1 . . . . 109 MET CE . 6541 1 1103 . 1 1 109 109 MET N N 15 116.554 0.200 . 1 . . . . 109 MET N . 6541 1 1104 . 1 1 110 110 THR H H 1 8.089 0.020 . 1 . . . . 110 THR H . 6541 1 1105 . 1 1 110 110 THR HA H 1 4.180 0.020 . 1 . . . . 110 THR HA . 6541 1 1106 . 1 1 110 110 THR HB H 1 4.270 0.020 . 1 . . . . 110 THR HB . 6541 1 1107 . 1 1 110 110 THR HG21 H 1 1.198 0.020 . 1 . . . . 110 THR HG2 . 6541 1 1108 . 1 1 110 110 THR HG22 H 1 1.198 0.020 . 1 . . . . 110 THR HG2 . 6541 1 1109 . 1 1 110 110 THR HG23 H 1 1.198 0.020 . 1 . . . . 110 THR HG2 . 6541 1 1110 . 1 1 110 110 THR C C 13 177.450 0.200 . 1 . . . . 110 THR C . 6541 1 1111 . 1 1 110 110 THR CA C 13 65.612 0.200 . 1 . . . . 110 THR CA . 6541 1 1112 . 1 1 110 110 THR CB C 13 68.998 0.200 . 1 . . . . 110 THR CB . 6541 1 1113 . 1 1 110 110 THR CG2 C 13 21.005 0.200 . 1 . . . . 110 THR CG2 . 6541 1 1114 . 1 1 110 110 THR N N 15 114.621 0.200 . 1 . . . . 110 THR N . 6541 1 1115 . 1 1 111 111 ASN H H 1 7.869 0.020 . 1 . . . . 111 ASN H . 6541 1 1116 . 1 1 111 111 ASN HA H 1 4.496 0.020 . 1 . . . . 111 ASN HA . 6541 1 1117 . 1 1 111 111 ASN HB2 H 1 2.779 0.020 . 1 . . . . 111 ASN HB2 . 6541 1 1118 . 1 1 111 111 ASN HD21 H 1 7.390 0.020 . 2 . . . . 111 ASN HD21 . 6541 1 1119 . 1 1 111 111 ASN HD22 H 1 6.549 0.020 . 2 . . . . 111 ASN HD22 . 6541 1 1120 . 1 1 111 111 ASN C C 13 176.233 0.200 . 1 . . . . 111 ASN C . 6541 1 1121 . 1 1 111 111 ASN CA C 13 55.576 0.200 . 1 . . . . 111 ASN CA . 6541 1 1122 . 1 1 111 111 ASN CB C 13 38.311 0.200 . 1 . . . . 111 ASN CB . 6541 1 1123 . 1 1 111 111 ASN N N 15 122.005 0.200 . 1 . . . . 111 ASN N . 6541 1 1124 . 1 1 111 111 ASN ND2 N 15 111.589 0.200 . 1 . . . . 111 ASN ND2 . 6541 1 1125 . 1 1 112 112 LEU H H 1 7.818 0.020 . 1 . . . . 112 LEU H . 6541 1 1126 . 1 1 112 112 LEU HA H 1 4.301 0.020 . 1 . . . . 112 LEU HA . 6541 1 1127 . 1 1 112 112 LEU HB3 H 1 1.685 0.020 . 1 . . . . 112 LEU HB3 . 6541 1 1128 . 1 1 112 112 LEU HG H 1 1.736 0.020 . 1 . . . . 112 LEU HG . 6541 1 1129 . 1 1 112 112 LEU HD11 H 1 0.802 0.020 . 1 . . . . 112 LEU HD1 . 6541 1 1130 . 1 1 112 112 LEU HD12 H 1 0.802 0.020 . 1 . . . . 112 LEU HD1 . 6541 1 1131 . 1 1 112 112 LEU HD13 H 1 0.802 0.020 . 1 . . . . 112 LEU HD1 . 6541 1 1132 . 1 1 112 112 LEU C C 13 177.371 0.200 . 1 . . . . 112 LEU C . 6541 1 1133 . 1 1 112 112 LEU CA C 13 55.353 0.200 . 1 . . . . 112 LEU CA . 6541 1 1134 . 1 1 112 112 LEU CB C 13 41.698 0.200 . 1 . . . . 112 LEU CB . 6541 1 1135 . 1 1 112 112 LEU CG C 13 26.074 0.200 . 1 . . . . 112 LEU CG . 6541 1 1136 . 1 1 112 112 LEU CD1 C 13 24.825 0.200 . 1 . . . . 112 LEU CD1 . 6541 1 1137 . 1 1 112 112 LEU N N 15 118.910 0.200 . 1 . . . . 112 LEU N . 6541 1 1138 . 1 1 113 113 GLY H H 1 7.817 0.020 . 1 . . . . 113 GLY H . 6541 1 1139 . 1 1 113 113 GLY HA3 H 1 4.190 0.020 . 1 . . . . 113 GLY HA3 . 6541 1 1140 . 1 1 113 113 GLY C C 13 174.385 0.200 . 1 . . . . 113 GLY C . 6541 1 1141 . 1 1 113 113 GLY CA C 13 45.285 0.200 . 1 . . . . 113 GLY CA . 6541 1 1142 . 1 1 113 113 GLY N N 15 106.632 0.200 . 1 . . . . 113 GLY N . 6541 1 1143 . 1 1 114 114 GLU H H 1 7.881 0.020 . 1 . . . . 114 GLU H . 6541 1 1144 . 1 1 114 114 GLU HA H 1 4.394 0.020 . 1 . . . . 114 GLU HA . 6541 1 1145 . 1 1 114 114 GLU HB2 H 1 1.710 0.020 . 1 . . . . 114 GLU HB2 . 6541 1 1146 . 1 1 114 114 GLU HG2 H 1 2.092 0.020 . 1 . . . . 114 GLU HG2 . 6541 1 1147 . 1 1 114 114 GLU C C 13 175.571 0.200 . 1 . . . . 114 GLU C . 6541 1 1148 . 1 1 114 114 GLU CA C 13 55.399 0.200 . 1 . . . . 114 GLU CA . 6541 1 1149 . 1 1 114 114 GLU CB C 13 30.113 0.200 . 1 . . . . 114 GLU CB . 6541 1 1150 . 1 1 114 114 GLU CG C 13 35.121 0.200 . 1 . . . . 114 GLU CG . 6541 1 1151 . 1 1 114 114 GLU N N 15 120.491 0.200 . 1 . . . . 114 GLU N . 6541 1 1152 . 1 1 115 115 LYS H H 1 8.462 0.020 . 1 . . . . 115 LYS H . 6541 1 1153 . 1 1 115 115 LYS HA H 1 4.353 0.020 . 1 . . . . 115 LYS HA . 6541 1 1154 . 1 1 115 115 LYS HB3 H 1 1.748 0.020 . 1 . . . . 115 LYS HB3 . 6541 1 1155 . 1 1 115 115 LYS HG3 H 1 1.359 0.020 . 1 . . . . 115 LYS HG3 . 6541 1 1156 . 1 1 115 115 LYS HD3 H 1 1.619 0.020 . 1 . . . . 115 LYS HD3 . 6541 1 1157 . 1 1 115 115 LYS HE2 H 1 2.944 0.020 . 1 . . . . 115 LYS HE2 . 6541 1 1158 . 1 1 115 115 LYS C C 13 175.668 0.200 . 1 . . . . 115 LYS C . 6541 1 1159 . 1 1 115 115 LYS CA C 13 55.703 0.200 . 1 . . . . 115 LYS CA . 6541 1 1160 . 1 1 115 115 LYS CB C 13 31.643 0.200 . 1 . . . . 115 LYS CB . 6541 1 1161 . 1 1 115 115 LYS CG C 13 24.074 0.200 . 1 . . . . 115 LYS CG . 6541 1 1162 . 1 1 115 115 LYS CD C 13 28.522 0.200 . 1 . . . . 115 LYS CD . 6541 1 1163 . 1 1 115 115 LYS CE C 13 41.803 0.200 . 1 . . . . 115 LYS CE . 6541 1 1164 . 1 1 115 115 LYS N N 15 123.688 0.200 . 1 . . . . 115 LYS N . 6541 1 1165 . 1 1 116 116 LEU H H 1 7.995 0.020 . 1 . . . . 116 LEU H . 6541 1 1166 . 1 1 116 116 LEU HA H 1 4.727 0.020 . 1 . . . . 116 LEU HA . 6541 1 1167 . 1 1 116 116 LEU HB3 H 1 1.522 0.020 . 1 . . . . 116 LEU HB3 . 6541 1 1168 . 1 1 116 116 LEU HG H 1 1.521 0.020 . 1 . . . . 116 LEU HG . 6541 1 1169 . 1 1 116 116 LEU HD11 H 1 0.745 0.020 . 1 . . . . 116 LEU HD1 . 6541 1 1170 . 1 1 116 116 LEU HD12 H 1 0.745 0.020 . 1 . . . . 116 LEU HD1 . 6541 1 1171 . 1 1 116 116 LEU HD13 H 1 0.745 0.020 . 1 . . . . 116 LEU HD1 . 6541 1 1172 . 1 1 116 116 LEU C C 13 177.962 0.200 . 1 . . . . 116 LEU C . 6541 1 1173 . 1 1 116 116 LEU CA C 13 54.156 0.200 . 1 . . . . 116 LEU CA . 6541 1 1174 . 1 1 116 116 LEU CB C 13 44.267 0.200 . 1 . . . . 116 LEU CB . 6541 1 1175 . 1 1 116 116 LEU CG C 13 26.984 0.200 . 1 . . . . 116 LEU CG . 6541 1 1176 . 1 1 116 116 LEU CD1 C 13 25.878 0.200 . 1 . . . . 116 LEU CD1 . 6541 1 1177 . 1 1 116 116 LEU N N 15 124.584 0.200 . 1 . . . . 116 LEU N . 6541 1 1178 . 1 1 117 117 THR H H 1 9.034 0.020 . 1 . . . . 117 THR H . 6541 1 1179 . 1 1 117 117 THR HA H 1 4.457 0.020 . 1 . . . . 117 THR HA . 6541 1 1180 . 1 1 117 117 THR HB H 1 4.708 0.020 . 1 . . . . 117 THR HB . 6541 1 1181 . 1 1 117 117 THR HG21 H 1 1.286 0.020 . 1 . . . . 117 THR HG2 . 6541 1 1182 . 1 1 117 117 THR HG22 H 1 1.286 0.020 . 1 . . . . 117 THR HG2 . 6541 1 1183 . 1 1 117 117 THR HG23 H 1 1.286 0.020 . 1 . . . . 117 THR HG2 . 6541 1 1184 . 1 1 117 117 THR C C 13 175.534 0.200 . 1 . . . . 117 THR C . 6541 1 1185 . 1 1 117 117 THR CA C 13 60.736 0.200 . 1 . . . . 117 THR CA . 6541 1 1186 . 1 1 117 117 THR CB C 13 71.198 0.200 . 1 . . . . 117 THR CB . 6541 1 1187 . 1 1 117 117 THR CG2 C 13 21.330 0.200 . 1 . . . . 117 THR CG2 . 6541 1 1188 . 1 1 117 117 THR N N 15 114.412 0.200 . 1 . . . . 117 THR N . 6541 1 1189 . 1 1 118 118 ASP H H 1 8.807 0.020 . 1 . . . . 118 ASP H . 6541 1 1190 . 1 1 118 118 ASP HA H 1 4.196 0.020 . 1 . . . . 118 ASP HA . 6541 1 1191 . 1 1 118 118 ASP HB2 H 1 2.554 0.020 . 1 . . . . 118 ASP HB2 . 6541 1 1192 . 1 1 118 118 ASP C C 13 178.590 0.200 . 1 . . . . 118 ASP C . 6541 1 1193 . 1 1 118 118 ASP CA C 13 58.016 0.200 . 1 . . . . 118 ASP CA . 6541 1 1194 . 1 1 118 118 ASP CB C 13 39.552 0.200 . 1 . . . . 118 ASP CB . 6541 1 1195 . 1 1 118 118 ASP N N 15 120.966 0.200 . 1 . . . . 118 ASP N . 6541 1 1196 . 1 1 119 119 GLU H H 1 8.627 0.020 . 1 . . . . 119 GLU H . 6541 1 1197 . 1 1 119 119 GLU HA H 1 4.084 0.020 . 1 . . . . 119 GLU HA . 6541 1 1198 . 1 1 119 119 GLU HB2 H 1 2.011 0.020 . 1 . . . . 119 GLU HB2 . 6541 1 1199 . 1 1 119 119 GLU HG2 H 1 2.359 0.020 . 1 . . . . 119 GLU HG2 . 6541 1 1200 . 1 1 119 119 GLU C C 13 179.183 0.200 . 1 . . . . 119 GLU C . 6541 1 1201 . 1 1 119 119 GLU CA C 13 59.870 0.200 . 1 . . . . 119 GLU CA . 6541 1 1202 . 1 1 119 119 GLU CB C 13 28.763 0.200 . 1 . . . . 119 GLU CB . 6541 1 1203 . 1 1 119 119 GLU CG C 13 36.415 0.200 . 1 . . . . 119 GLU CG . 6541 1 1204 . 1 1 119 119 GLU N N 15 118.995 0.200 . 1 . . . . 119 GLU N . 6541 1 1205 . 1 1 120 120 GLU H H 1 7.702 0.020 . 1 . . . . 120 GLU H . 6541 1 1206 . 1 1 120 120 GLU HA H 1 3.999 0.020 . 1 . . . . 120 GLU HA . 6541 1 1207 . 1 1 120 120 GLU HB2 H 1 2.339 0.020 . 1 . . . . 120 GLU HB2 . 6541 1 1208 . 1 1 120 120 GLU HG2 H 1 2.228 0.020 . 1 . . . . 120 GLU HG2 . 6541 1 1209 . 1 1 120 120 GLU C C 13 179.964 0.200 . 1 . . . . 120 GLU C . 6541 1 1210 . 1 1 120 120 GLU CA C 13 59.204 0.200 . 1 . . . . 120 GLU CA . 6541 1 1211 . 1 1 120 120 GLU CB C 13 30.095 0.200 . 1 . . . . 120 GLU CB . 6541 1 1212 . 1 1 120 120 GLU CG C 13 37.473 0.200 . 1 . . . . 120 GLU CG . 6541 1 1213 . 1 1 120 120 GLU N N 15 120.439 0.200 . 1 . . . . 120 GLU N . 6541 1 1214 . 1 1 121 121 VAL H H 1 8.040 0.020 . 1 . . . . 121 VAL H . 6541 1 1215 . 1 1 121 121 VAL HA H 1 3.605 0.020 . 1 . . . . 121 VAL HA . 6541 1 1216 . 1 1 121 121 VAL HB H 1 2.176 0.020 . 1 . . . . 121 VAL HB . 6541 1 1217 . 1 1 121 121 VAL HG21 H 1 0.910 0.020 . 1 . . . . 121 VAL HG2 . 6541 1 1218 . 1 1 121 121 VAL HG22 H 1 0.910 0.020 . 1 . . . . 121 VAL HG2 . 6541 1 1219 . 1 1 121 121 VAL HG23 H 1 0.910 0.020 . 1 . . . . 121 VAL HG2 . 6541 1 1220 . 1 1 121 121 VAL C C 13 177.264 0.200 . 1 . . . . 121 VAL C . 6541 1 1221 . 1 1 121 121 VAL CA C 13 66.879 0.200 . 1 . . . . 121 VAL CA . 6541 1 1222 . 1 1 121 121 VAL CB C 13 31.024 0.200 . 1 . . . . 121 VAL CB . 6541 1 1223 . 1 1 121 121 VAL CG2 C 13 23.172 0.200 . 1 . . . . 121 VAL CG2 . 6541 1 1224 . 1 1 121 121 VAL N N 15 121.097 0.200 . 1 . . . . 121 VAL N . 6541 1 1225 . 1 1 122 122 ASP H H 1 8.000 0.020 . 1 . . . . 122 ASP H . 6541 1 1226 . 1 1 122 122 ASP HA H 1 4.315 0.020 . 1 . . . . 122 ASP HA . 6541 1 1227 . 1 1 122 122 ASP HB2 H 1 2.735 0.020 . 1 . . . . 122 ASP HB2 . 6541 1 1228 . 1 1 122 122 ASP C C 13 179.172 0.200 . 1 . . . . 122 ASP C . 6541 1 1229 . 1 1 122 122 ASP CA C 13 57.644 0.200 . 1 . . . . 122 ASP CA . 6541 1 1230 . 1 1 122 122 ASP CB C 13 40.314 0.200 . 1 . . . . 122 ASP CB . 6541 1 1231 . 1 1 122 122 ASP N N 15 119.691 0.200 . 1 . . . . 122 ASP N . 6541 1 1232 . 1 1 123 123 GLU H H 1 7.925 0.020 . 1 . . . . 123 GLU H . 6541 1 1233 . 1 1 123 123 GLU HA H 1 3.979 0.020 . 1 . . . . 123 GLU HA . 6541 1 1234 . 1 1 123 123 GLU HB2 H 1 2.087 0.020 . 1 . . . . 123 GLU HB2 . 6541 1 1235 . 1 1 123 123 GLU HG2 H 1 2.237 0.020 . 1 . . . . 123 GLU HG2 . 6541 1 1236 . 1 1 123 123 GLU C C 13 177.983 0.200 . 1 . . . . 123 GLU C . 6541 1 1237 . 1 1 123 123 GLU CA C 13 59.199 0.200 . 1 . . . . 123 GLU CA . 6541 1 1238 . 1 1 123 123 GLU CB C 13 29.026 0.200 . 1 . . . . 123 GLU CB . 6541 1 1239 . 1 1 123 123 GLU CG C 13 35.911 0.200 . 1 . . . . 123 GLU CG . 6541 1 1240 . 1 1 123 123 GLU N N 15 119.419 0.200 . 1 . . . . 123 GLU N . 6541 1 1241 . 1 1 124 124 MET H H 1 7.793 0.020 . 1 . . . . 124 MET H . 6541 1 1242 . 1 1 124 124 MET HA H 1 4.010 0.020 . 1 . . . . 124 MET HA . 6541 1 1243 . 1 1 124 124 MET HB2 H 1 2.235 0.020 . 1 . . . . 124 MET HB2 . 6541 1 1244 . 1 1 124 124 MET HG2 H 1 2.435 0.020 . 1 . . . . 124 MET HG2 . 6541 1 1245 . 1 1 124 124 MET HE1 H 1 1.829 0.020 . 1 . . . . 124 MET HE . 6541 1 1246 . 1 1 124 124 MET HE2 H 1 1.829 0.020 . 1 . . . . 124 MET HE . 6541 1 1247 . 1 1 124 124 MET HE3 H 1 1.829 0.020 . 1 . . . . 124 MET HE . 6541 1 1248 . 1 1 124 124 MET C C 13 179.275 0.200 . 1 . . . . 124 MET C . 6541 1 1249 . 1 1 124 124 MET CA C 13 59.404 0.200 . 1 . . . . 124 MET CA . 6541 1 1250 . 1 1 124 124 MET CB C 13 32.960 0.200 . 1 . . . . 124 MET CB . 6541 1 1251 . 1 1 124 124 MET CG C 13 31.907 0.200 . 1 . . . . 124 MET CG . 6541 1 1252 . 1 1 124 124 MET CE C 13 16.602 0.200 . 1 . . . . 124 MET CE . 6541 1 1253 . 1 1 124 124 MET N N 15 119.476 0.200 . 1 . . . . 124 MET N . 6541 1 1254 . 1 1 125 125 ILE H H 1 7.925 0.020 . 1 . . . . 125 ILE H . 6541 1 1255 . 1 1 125 125 ILE HA H 1 3.491 0.020 . 1 . . . . 125 ILE HA . 6541 1 1256 . 1 1 125 125 ILE HB H 1 2.061 0.020 . 1 . . . . 125 ILE HB . 6541 1 1257 . 1 1 125 125 ILE HG12 H 1 1.200 0.020 . 1 . . . . 125 ILE HG12 . 6541 1 1258 . 1 1 125 125 ILE HG21 H 1 0.686 0.020 . 1 . . . . 125 ILE HG2 . 6541 1 1259 . 1 1 125 125 ILE HG22 H 1 0.686 0.020 . 1 . . . . 125 ILE HG2 . 6541 1 1260 . 1 1 125 125 ILE HG23 H 1 0.686 0.020 . 1 . . . . 125 ILE HG2 . 6541 1 1261 . 1 1 125 125 ILE HD11 H 1 0.673 0.020 . 1 . . . . 125 ILE HD1 . 6541 1 1262 . 1 1 125 125 ILE HD12 H 1 0.673 0.020 . 1 . . . . 125 ILE HD1 . 6541 1 1263 . 1 1 125 125 ILE HD13 H 1 0.673 0.020 . 1 . . . . 125 ILE HD1 . 6541 1 1264 . 1 1 125 125 ILE C C 13 177.140 0.200 . 1 . . . . 125 ILE C . 6541 1 1265 . 1 1 125 125 ILE CA C 13 63.973 0.200 . 1 . . . . 125 ILE CA . 6541 1 1266 . 1 1 125 125 ILE CB C 13 36.283 0.200 . 1 . . . . 125 ILE CB . 6541 1 1267 . 1 1 125 125 ILE CG1 C 13 27.821 0.200 . 1 . . . . 125 ILE CG1 . 6541 1 1268 . 1 1 125 125 ILE CG2 C 13 15.809 0.200 . 1 . . . . 125 ILE CG2 . 6541 1 1269 . 1 1 125 125 ILE CD1 C 13 10.521 0.200 . 1 . . . . 125 ILE CD1 . 6541 1 1270 . 1 1 125 125 ILE N N 15 118.429 0.200 . 1 . . . . 125 ILE N . 6541 1 1271 . 1 1 126 126 ARG H H 1 8.131 0.020 . 1 . . . . 126 ARG H . 6541 1 1272 . 1 1 126 126 ARG HA H 1 3.998 0.020 . 1 . . . . 126 ARG HA . 6541 1 1273 . 1 1 126 126 ARG HB3 H 1 1.830 0.020 . 1 . . . . 126 ARG HB3 . 6541 1 1274 . 1 1 126 126 ARG HG3 H 1 1.729 0.020 . 1 . . . . 126 ARG HG3 . 6541 1 1275 . 1 1 126 126 ARG HD2 H 1 3.176 0.020 . 1 . . . . 126 ARG HD2 . 6541 1 1276 . 1 1 126 126 ARG C C 13 179.407 0.200 . 1 . . . . 126 ARG C . 6541 1 1277 . 1 1 126 126 ARG CA C 13 59.673 0.200 . 1 . . . . 126 ARG CA . 6541 1 1278 . 1 1 126 126 ARG CB C 13 29.762 0.200 . 1 . . . . 126 ARG CB . 6541 1 1279 . 1 1 126 126 ARG CG C 13 27.345 0.200 . 1 . . . . 126 ARG CG . 6541 1 1280 . 1 1 126 126 ARG CD C 13 43.117 0.200 . 1 . . . . 126 ARG CD . 6541 1 1281 . 1 1 126 126 ARG N N 15 118.442 0.200 . 1 . . . . 126 ARG N . 6541 1 1282 . 1 1 127 127 GLU H H 1 7.907 0.020 . 1 . . . . 127 GLU H . 6541 1 1283 . 1 1 127 127 GLU HA H 1 3.981 0.020 . 1 . . . . 127 GLU HA . 6541 1 1284 . 1 1 127 127 GLU HB2 H 1 2.028 0.020 . 1 . . . . 127 GLU HB2 . 6541 1 1285 . 1 1 127 127 GLU HG2 H 1 2.245 0.020 . 1 . . . . 127 GLU HG2 . 6541 1 1286 . 1 1 127 127 GLU C C 13 177.300 0.200 . 1 . . . . 127 GLU C . 6541 1 1287 . 1 1 127 127 GLU CA C 13 58.393 0.200 . 1 . . . . 127 GLU CA . 6541 1 1288 . 1 1 127 127 GLU CB C 13 29.252 0.200 . 1 . . . . 127 GLU CB . 6541 1 1289 . 1 1 127 127 GLU CG C 13 35.455 0.200 . 1 . . . . 127 GLU CG . 6541 1 1290 . 1 1 127 127 GLU N N 15 116.056 0.200 . 1 . . . . 127 GLU N . 6541 1 1291 . 1 1 128 128 ALA H H 1 7.352 0.020 . 1 . . . . 128 ALA H . 6541 1 1292 . 1 1 128 128 ALA HA H 1 4.390 0.020 . 1 . . . . 128 ALA HA . 6541 1 1293 . 1 1 128 128 ALA HB1 H 1 1.383 0.020 . 1 . . . . 128 ALA HB . 6541 1 1294 . 1 1 128 128 ALA HB2 H 1 1.383 0.020 . 1 . . . . 128 ALA HB . 6541 1 1295 . 1 1 128 128 ALA HB3 H 1 1.383 0.020 . 1 . . . . 128 ALA HB . 6541 1 1296 . 1 1 128 128 ALA C C 13 177.775 0.200 . 1 . . . . 128 ALA C . 6541 1 1297 . 1 1 128 128 ALA CA C 13 52.032 0.200 . 1 . . . . 128 ALA CA . 6541 1 1298 . 1 1 128 128 ALA CB C 13 20.661 0.200 . 1 . . . . 128 ALA CB . 6541 1 1299 . 1 1 128 128 ALA N N 15 119.117 0.200 . 1 . . . . 128 ALA N . 6541 1 1300 . 1 1 129 129 ASP H H 1 7.814 0.020 . 1 . . . . 129 ASP H . 6541 1 1301 . 1 1 129 129 ASP HA H 1 4.499 0.020 . 1 . . . . 129 ASP HA . 6541 1 1302 . 1 1 129 129 ASP HB2 H 1 2.460 0.020 . 1 . . . . 129 ASP HB2 . 6541 1 1303 . 1 1 129 129 ASP C C 13 176.121 0.200 . 1 . . . . 129 ASP C . 6541 1 1304 . 1 1 129 129 ASP CA C 13 54.011 0.200 . 1 . . . . 129 ASP CA . 6541 1 1305 . 1 1 129 129 ASP CB C 13 40.061 0.200 . 1 . . . . 129 ASP CB . 6541 1 1306 . 1 1 129 129 ASP N N 15 117.434 0.200 . 1 . . . . 129 ASP N . 6541 1 1307 . 1 1 130 130 ILE H H 1 8.384 0.020 . 1 . . . . 130 ILE H . 6541 1 1308 . 1 1 130 130 ILE HA H 1 3.907 0.020 . 1 . . . . 130 ILE HA . 6541 1 1309 . 1 1 130 130 ILE HB H 1 1.969 0.020 . 1 . . . . 130 ILE HB . 6541 1 1310 . 1 1 130 130 ILE HG12 H 1 1.285 0.020 . 1 . . . . 130 ILE HG12 . 6541 1 1311 . 1 1 130 130 ILE HG21 H 1 0.897 0.020 . 1 . . . . 130 ILE HG2 . 6541 1 1312 . 1 1 130 130 ILE HG22 H 1 0.897 0.020 . 1 . . . . 130 ILE HG2 . 6541 1 1313 . 1 1 130 130 ILE HG23 H 1 0.897 0.020 . 1 . . . . 130 ILE HG2 . 6541 1 1314 . 1 1 130 130 ILE HD11 H 1 0.834 0.020 . 1 . . . . 130 ILE HD1 . 6541 1 1315 . 1 1 130 130 ILE HD12 H 1 0.834 0.020 . 1 . . . . 130 ILE HD1 . 6541 1 1316 . 1 1 130 130 ILE HD13 H 1 0.834 0.020 . 1 . . . . 130 ILE HD1 . 6541 1 1317 . 1 1 130 130 ILE C C 13 177.879 0.200 . 1 . . . . 130 ILE C . 6541 1 1318 . 1 1 130 130 ILE CA C 13 63.314 0.200 . 1 . . . . 130 ILE CA . 6541 1 1319 . 1 1 130 130 ILE CB C 13 38.397 0.200 . 1 . . . . 130 ILE CB . 6541 1 1320 . 1 1 130 130 ILE CG1 C 13 27.351 0.200 . 1 . . . . 130 ILE CG1 . 6541 1 1321 . 1 1 130 130 ILE CG2 C 13 16.825 0.200 . 1 . . . . 130 ILE CG2 . 6541 1 1322 . 1 1 130 130 ILE CD1 C 13 11.746 0.200 . 1 . . . . 130 ILE CD1 . 6541 1 1323 . 1 1 130 130 ILE N N 15 127.886 0.200 . 1 . . . . 130 ILE N . 6541 1 1324 . 1 1 131 131 ASP H H 1 8.255 0.020 . 1 . . . . 131 ASP H . 6541 1 1325 . 1 1 131 131 ASP HA H 1 4.536 0.020 . 1 . . . . 131 ASP HA . 6541 1 1326 . 1 1 131 131 ASP HB2 H 1 3.052 0.020 . 1 . . . . 131 ASP HB2 . 6541 1 1327 . 1 1 131 131 ASP C C 13 178.314 0.200 . 1 . . . . 131 ASP C . 6541 1 1328 . 1 1 131 131 ASP CA C 13 53.769 0.200 . 1 . . . . 131 ASP CA . 6541 1 1329 . 1 1 131 131 ASP CB C 13 39.680 0.200 . 1 . . . . 131 ASP CB . 6541 1 1330 . 1 1 131 131 ASP N N 15 116.747 0.200 . 1 . . . . 131 ASP N . 6541 1 1331 . 1 1 132 132 GLY H H 1 7.548 0.020 . 1 . . . . 132 GLY H . 6541 1 1332 . 1 1 132 132 GLY HA3 H 1 3.947 0.020 . 1 . . . . 132 GLY HA3 . 6541 1 1333 . 1 1 132 132 GLY C C 13 175.292 0.200 . 1 . . . . 132 GLY C . 6541 1 1334 . 1 1 132 132 GLY CA C 13 47.300 0.200 . 1 . . . . 132 GLY CA . 6541 1 1335 . 1 1 132 132 GLY N N 15 108.436 0.200 . 1 . . . . 132 GLY N . 6541 1 1336 . 1 1 133 133 ASP H H 1 8.308 0.020 . 1 . . . . 133 ASP H . 6541 1 1337 . 1 1 133 133 ASP HA H 1 4.459 0.020 . 1 . . . . 133 ASP HA . 6541 1 1338 . 1 1 133 133 ASP HB2 H 1 2.916 0.020 . 1 . . . . 133 ASP HB2 . 6541 1 1339 . 1 1 133 133 ASP C C 13 177.639 0.200 . 1 . . . . 133 ASP C . 6541 1 1340 . 1 1 133 133 ASP CA C 13 53.633 0.200 . 1 . . . . 133 ASP CA . 6541 1 1341 . 1 1 133 133 ASP CB C 13 39.965 0.200 . 1 . . . . 133 ASP CB . 6541 1 1342 . 1 1 133 133 ASP N N 15 120.799 0.200 . 1 . . . . 133 ASP N . 6541 1 1343 . 1 1 134 134 GLY H H 1 10.304 0.020 . 1 . . . . 134 GLY H . 6541 1 1344 . 1 1 134 134 GLY HA3 H 1 4.010 0.020 . 1 . . . . 134 GLY HA3 . 6541 1 1345 . 1 1 134 134 GLY C C 13 172.900 0.200 . 1 . . . . 134 GLY C . 6541 1 1346 . 1 1 134 134 GLY CA C 13 45.551 0.200 . 1 . . . . 134 GLY CA . 6541 1 1347 . 1 1 134 134 GLY N N 15 112.879 0.200 . 1 . . . . 134 GLY N . 6541 1 1348 . 1 1 135 135 GLN H H 1 7.938 0.020 . 1 . . . . 135 GLN H . 6541 1 1349 . 1 1 135 135 GLN HA H 1 4.835 0.020 . 1 . . . . 135 GLN HA . 6541 1 1350 . 1 1 135 135 GLN HB2 H 1 1.654 0.020 . 1 . . . . 135 GLN HB2 . 6541 1 1351 . 1 1 135 135 GLN HG2 H 1 1.894 0.020 . 1 . . . . 135 GLN HG2 . 6541 1 1352 . 1 1 135 135 GLN HE21 H 1 6.447 0.020 . 2 . . . . 135 GLN HE21 . 6541 1 1353 . 1 1 135 135 GLN HE22 H 1 5.845 0.020 . 2 . . . . 135 GLN HE22 . 6541 1 1354 . 1 1 135 135 GLN C C 13 174.755 0.200 . 1 . . . . 135 GLN C . 6541 1 1355 . 1 1 135 135 GLN CA C 13 53.124 0.200 . 1 . . . . 135 GLN CA . 6541 1 1356 . 1 1 135 135 GLN CB C 13 31.956 0.200 . 1 . . . . 135 GLN CB . 6541 1 1357 . 1 1 135 135 GLN CG C 13 32.727 0.200 . 1 . . . . 135 GLN CG . 6541 1 1358 . 1 1 135 135 GLN N N 15 115.492 0.200 . 1 . . . . 135 GLN N . 6541 1 1359 . 1 1 135 135 GLN NE2 N 15 108.617 0.200 . 1 . . . . 135 GLN NE2 . 6541 1 1360 . 1 1 136 136 VAL H H 1 9.106 0.020 . 1 . . . . 136 VAL H . 6541 1 1361 . 1 1 136 136 VAL HA H 1 5.184 0.020 . 1 . . . . 136 VAL HA . 6541 1 1362 . 1 1 136 136 VAL HB H 1 2.262 0.020 . 1 . . . . 136 VAL HB . 6541 1 1363 . 1 1 136 136 VAL HG21 H 1 0.852 0.020 . 1 . . . . 136 VAL HG2 . 6541 1 1364 . 1 1 136 136 VAL HG22 H 1 0.852 0.020 . 1 . . . . 136 VAL HG2 . 6541 1 1365 . 1 1 136 136 VAL HG23 H 1 0.852 0.020 . 1 . . . . 136 VAL HG2 . 6541 1 1366 . 1 1 136 136 VAL C C 13 175.877 0.200 . 1 . . . . 136 VAL C . 6541 1 1367 . 1 1 136 136 VAL CA C 13 61.678 0.200 . 1 . . . . 136 VAL CA . 6541 1 1368 . 1 1 136 136 VAL CB C 13 33.311 0.200 . 1 . . . . 136 VAL CB . 6541 1 1369 . 1 1 136 136 VAL CG2 C 13 21.660 0.200 . 1 . . . . 136 VAL CG2 . 6541 1 1370 . 1 1 136 136 VAL N N 15 125.413 0.200 . 1 . . . . 136 VAL N . 6541 1 1371 . 1 1 137 137 ASN H H 1 9.525 0.020 . 1 . . . . 137 ASN H . 6541 1 1372 . 1 1 137 137 ASN HA H 1 5.197 0.020 . 1 . . . . 137 ASN HA . 6541 1 1373 . 1 1 137 137 ASN HB2 H 1 3.285 0.020 . 1 . . . . 137 ASN HB2 . 6541 1 1374 . 1 1 137 137 ASN HD21 H 1 7.186 0.020 . 2 . . . . 137 ASN HD21 . 6541 1 1375 . 1 1 137 137 ASN HD22 H 1 6.798 0.020 . 2 . . . . 137 ASN HD22 . 6541 1 1376 . 1 1 137 137 ASN C C 13 174.926 0.200 . 1 . . . . 137 ASN C . 6541 1 1377 . 1 1 137 137 ASN CA C 13 51.139 0.200 . 1 . . . . 137 ASN CA . 6541 1 1378 . 1 1 137 137 ASN CB C 13 38.031 0.200 . 1 . . . . 137 ASN CB . 6541 1 1379 . 1 1 137 137 ASN N N 15 128.942 0.200 . 1 . . . . 137 ASN N . 6541 1 1380 . 1 1 137 137 ASN ND2 N 15 108.462 0.200 . 1 . . . . 137 ASN ND2 . 6541 1 1381 . 1 1 138 138 TYR H H 1 8.402 0.020 . 1 . . . . 138 TYR H . 6541 1 1382 . 1 1 138 138 TYR HA H 1 3.423 0.020 . 1 . . . . 138 TYR HA . 6541 1 1383 . 1 1 138 138 TYR HB3 H 1 2.378 0.020 . 1 . . . . 138 TYR HB3 . 6541 1 1384 . 1 1 138 138 TYR HE1 H 1 6.496 0.020 . 1 . . . . 138 TYR HE1 . 6541 1 1385 . 1 1 138 138 TYR HE2 H 1 6.496 0.020 . 1 . . . . 138 TYR HE2 . 6541 1 1386 . 1 1 138 138 TYR C C 13 176.108 0.200 . 1 . . . . 138 TYR C . 6541 1 1387 . 1 1 138 138 TYR CA C 13 62.796 0.200 . 1 . . . . 138 TYR CA . 6541 1 1388 . 1 1 138 138 TYR CB C 13 37.281 0.200 . 1 . . . . 138 TYR CB . 6541 1 1389 . 1 1 138 138 TYR CE1 C 13 117.907 0.200 . 1 . . . . 138 TYR CE1 . 6541 1 1390 . 1 1 138 138 TYR N N 15 118.326 0.200 . 1 . . . . 138 TYR N . 6541 1 1391 . 1 1 139 139 GLU H H 1 8.040 0.020 . 1 . . . . 139 GLU H . 6541 1 1392 . 1 1 139 139 GLU HA H 1 3.642 0.020 . 1 . . . . 139 GLU HA . 6541 1 1393 . 1 1 139 139 GLU HB2 H 1 2.063 0.020 . 1 . . . . 139 GLU HB2 . 6541 1 1394 . 1 1 139 139 GLU HG2 H 1 2.342 0.020 . 1 . . . . 139 GLU HG2 . 6541 1 1395 . 1 1 139 139 GLU C C 13 180.590 0.200 . 1 . . . . 139 GLU C . 6541 1 1396 . 1 1 139 139 GLU CA C 13 60.352 0.200 . 1 . . . . 139 GLU CA . 6541 1 1397 . 1 1 139 139 GLU CB C 13 28.566 0.200 . 1 . . . . 139 GLU CB . 6541 1 1398 . 1 1 139 139 GLU CG C 13 36.774 0.200 . 1 . . . . 139 GLU CG . 6541 1 1399 . 1 1 139 139 GLU N N 15 118.323 0.200 . 1 . . . . 139 GLU N . 6541 1 1400 . 1 1 140 140 GLU H H 1 8.712 0.020 . 1 . . . . 140 GLU H . 6541 1 1401 . 1 1 140 140 GLU HA H 1 4.014 0.020 . 1 . . . . 140 GLU HA . 6541 1 1402 . 1 1 140 140 GLU HB2 H 1 2.531 0.020 . 1 . . . . 140 GLU HB2 . 6541 1 1403 . 1 1 140 140 GLU HG2 H 1 2.425 0.020 . 1 . . . . 140 GLU HG2 . 6541 1 1404 . 1 1 140 140 GLU C C 13 179.360 0.200 . 1 . . . . 140 GLU C . 6541 1 1405 . 1 1 140 140 GLU CA C 13 58.439 0.200 . 1 . . . . 140 GLU CA . 6541 1 1406 . 1 1 140 140 GLU CB C 13 29.485 0.200 . 1 . . . . 140 GLU CB . 6541 1 1407 . 1 1 140 140 GLU CG C 13 36.690 0.200 . 1 . . . . 140 GLU CG . 6541 1 1408 . 1 1 140 140 GLU N N 15 119.793 0.200 . 1 . . . . 140 GLU N . 6541 1 1409 . 1 1 141 141 PHE H H 1 8.922 0.020 . 1 . . . . 141 PHE H . 6541 1 1410 . 1 1 141 141 PHE HA H 1 3.979 0.020 . 1 . . . . 141 PHE HA . 6541 1 1411 . 1 1 141 141 PHE HB3 H 1 3.357 0.020 . 1 . . . . 141 PHE HB3 . 6541 1 1412 . 1 1 141 141 PHE HE1 H 1 7.111 0.020 . 1 . . . . 141 PHE HE1 . 6541 1 1413 . 1 1 141 141 PHE HE2 H 1 7.111 0.020 . 1 . . . . 141 PHE HE2 . 6541 1 1414 . 1 1 141 141 PHE C C 13 176.828 0.200 . 1 . . . . 141 PHE C . 6541 1 1415 . 1 1 141 141 PHE CA C 13 61.555 0.200 . 1 . . . . 141 PHE CA . 6541 1 1416 . 1 1 141 141 PHE CB C 13 39.434 0.200 . 1 . . . . 141 PHE CB . 6541 1 1417 . 1 1 141 141 PHE CE1 C 13 131.328 0.200 . 1 . . . . 141 PHE CE1 . 6541 1 1418 . 1 1 141 141 PHE N N 15 124.588 0.200 . 1 . . . . 141 PHE N . 6541 1 1419 . 1 1 142 142 VAL H H 1 8.487 0.020 . 1 . . . . 142 VAL H . 6541 1 1420 . 1 1 142 142 VAL HA H 1 3.119 0.020 . 1 . . . . 142 VAL HA . 6541 1 1421 . 1 1 142 142 VAL HB H 1 1.843 0.020 . 1 . . . . 142 VAL HB . 6541 1 1422 . 1 1 142 142 VAL HG21 H 1 0.478 0.020 . 1 . . . . 142 VAL HG2 . 6541 1 1423 . 1 1 142 142 VAL HG22 H 1 0.478 0.020 . 1 . . . . 142 VAL HG2 . 6541 1 1424 . 1 1 142 142 VAL HG23 H 1 0.478 0.020 . 1 . . . . 142 VAL HG2 . 6541 1 1425 . 1 1 142 142 VAL C C 13 179.535 0.200 . 1 . . . . 142 VAL C . 6541 1 1426 . 1 1 142 142 VAL CA C 13 67.011 0.200 . 1 . . . . 142 VAL CA . 6541 1 1427 . 1 1 142 142 VAL CB C 13 31.203 0.200 . 1 . . . . 142 VAL CB . 6541 1 1428 . 1 1 142 142 VAL CG2 C 13 22.203 0.200 . 1 . . . . 142 VAL CG2 . 6541 1 1429 . 1 1 142 142 VAL N N 15 119.468 0.200 . 1 . . . . 142 VAL N . 6541 1 1430 . 1 1 143 143 GLN H H 1 7.362 0.020 . 1 . . . . 143 GLN H . 6541 1 1431 . 1 1 143 143 GLN HA H 1 3.877 0.020 . 1 . . . . 143 GLN HA . 6541 1 1432 . 1 1 143 143 GLN HB2 H 1 2.079 0.020 . 1 . . . . 143 GLN HB2 . 6541 1 1433 . 1 1 143 143 GLN HG2 H 1 2.354 0.020 . 1 . . . . 143 GLN HG2 . 6541 1 1434 . 1 1 143 143 GLN HE21 H 1 7.392 0.020 . 2 . . . . 143 GLN HE21 . 6541 1 1435 . 1 1 143 143 GLN HE22 H 1 6.695 0.020 . 2 . . . . 143 GLN HE22 . 6541 1 1436 . 1 1 143 143 GLN C C 13 177.899 0.200 . 1 . . . . 143 GLN C . 6541 1 1437 . 1 1 143 143 GLN CA C 13 58.794 0.200 . 1 . . . . 143 GLN CA . 6541 1 1438 . 1 1 143 143 GLN CB C 13 27.800 0.200 . 1 . . . . 143 GLN CB . 6541 1 1439 . 1 1 143 143 GLN CG C 13 33.637 0.200 . 1 . . . . 143 GLN CG . 6541 1 1440 . 1 1 143 143 GLN N N 15 118.091 0.200 . 1 . . . . 143 GLN N . 6541 1 1441 . 1 1 143 143 GLN NE2 N 15 111.739 0.200 . 1 . . . . 143 GLN NE2 . 6541 1 1442 . 1 1 144 144 MET H H 1 7.914 0.020 . 1 . . . . 144 MET H . 6541 1 1443 . 1 1 144 144 MET HA H 1 4.076 0.020 . 1 . . . . 144 MET HA . 6541 1 1444 . 1 1 144 144 MET HB2 H 1 2.044 0.020 . 1 . . . . 144 MET HB2 . 6541 1 1445 . 1 1 144 144 MET HG2 H 1 2.295 0.020 . 1 . . . . 144 MET HG2 . 6541 1 1446 . 1 1 144 144 MET HE1 H 1 1.989 0.020 . 1 . . . . 144 MET HE . 6541 1 1447 . 1 1 144 144 MET HE2 H 1 1.989 0.020 . 1 . . . . 144 MET HE . 6541 1 1448 . 1 1 144 144 MET HE3 H 1 1.989 0.020 . 1 . . . . 144 MET HE . 6541 1 1449 . 1 1 144 144 MET C C 13 177.954 0.200 . 1 . . . . 144 MET C . 6541 1 1450 . 1 1 144 144 MET CA C 13 58.343 0.200 . 1 . . . . 144 MET CA . 6541 1 1451 . 1 1 144 144 MET CB C 13 33.025 0.200 . 1 . . . . 144 MET CB . 6541 1 1452 . 1 1 144 144 MET CG C 13 30.975 0.200 . 1 . . . . 144 MET CG . 6541 1 1453 . 1 1 144 144 MET CE C 13 16.755 0.200 . 1 . . . . 144 MET CE . 6541 1 1454 . 1 1 144 144 MET N N 15 119.591 0.200 . 1 . . . . 144 MET N . 6541 1 1455 . 1 1 145 145 MET H H 1 7.816 0.020 . 1 . . . . 145 MET H . 6541 1 1456 . 1 1 145 145 MET HA H 1 4.280 0.020 . 1 . . . . 145 MET HA . 6541 1 1457 . 1 1 145 145 MET HB2 H 1 1.590 0.020 . 1 . . . . 145 MET HB2 . 6541 1 1458 . 1 1 145 145 MET HG2 H 1 1.635 0.020 . 1 . . . . 145 MET HG2 . 6541 1 1459 . 1 1 145 145 MET HE1 H 1 1.787 0.020 . 1 . . . . 145 MET HE . 6541 1 1460 . 1 1 145 145 MET HE2 H 1 1.787 0.020 . 1 . . . . 145 MET HE . 6541 1 1461 . 1 1 145 145 MET HE3 H 1 1.787 0.020 . 1 . . . . 145 MET HE . 6541 1 1462 . 1 1 145 145 MET C C 13 177.500 0.200 . 1 . . . . 145 MET C . 6541 1 1463 . 1 1 145 145 MET CA C 13 55.285 0.200 . 1 . . . . 145 MET CA . 6541 1 1464 . 1 1 145 145 MET CB C 13 31.741 0.200 . 1 . . . . 145 MET CB . 6541 1 1465 . 1 1 145 145 MET CG C 13 31.767 0.200 . 1 . . . . 145 MET CG . 6541 1 1466 . 1 1 145 145 MET CE C 13 16.600 0.200 . 1 . . . . 145 MET CE . 6541 1 1467 . 1 1 145 145 MET N N 15 114.764 0.200 . 1 . . . . 145 MET N . 6541 1 1468 . 1 1 146 146 THR H H 1 7.551 0.020 . 1 . . . . 146 THR H . 6541 1 1469 . 1 1 146 146 THR HA H 1 4.291 0.020 . 1 . . . . 146 THR HA . 6541 1 1470 . 1 1 146 146 THR HB H 1 4.219 0.020 . 1 . . . . 146 THR HB . 6541 1 1471 . 1 1 146 146 THR HG21 H 1 1.124 0.020 . 1 . . . . 146 THR HG2 . 6541 1 1472 . 1 1 146 146 THR HG22 H 1 1.124 0.020 . 1 . . . . 146 THR HG2 . 6541 1 1473 . 1 1 146 146 THR HG23 H 1 1.124 0.020 . 1 . . . . 146 THR HG2 . 6541 1 1474 . 1 1 146 146 THR C C 13 174.272 0.200 . 1 . . . . 146 THR C . 6541 1 1475 . 1 1 146 146 THR CA C 13 62.573 0.200 . 1 . . . . 146 THR CA . 6541 1 1476 . 1 1 146 146 THR CB C 13 70.160 0.200 . 1 . . . . 146 THR CB . 6541 1 1477 . 1 1 146 146 THR CG2 C 13 20.780 0.200 . 1 . . . . 146 THR CG2 . 6541 1 1478 . 1 1 146 146 THR N N 15 111.346 0.200 . 1 . . . . 146 THR N . 6541 1 1479 . 1 1 147 147 ALA H H 1 7.697 0.020 . 1 . . . . 147 ALA H . 6541 1 1480 . 1 1 147 147 ALA HA H 1 4.291 0.020 . 1 . . . . 147 ALA HA . 6541 1 1481 . 1 1 147 147 ALA HB1 H 1 1.354 0.020 . 1 . . . . 147 ALA HB . 6541 1 1482 . 1 1 147 147 ALA HB2 H 1 1.354 0.020 . 1 . . . . 147 ALA HB . 6541 1 1483 . 1 1 147 147 ALA HB3 H 1 1.354 0.020 . 1 . . . . 147 ALA HB . 6541 1 1484 . 1 1 147 147 ALA C C 13 176.660 0.200 . 1 . . . . 147 ALA C . 6541 1 1485 . 1 1 147 147 ALA CA C 13 52.780 0.200 . 1 . . . . 147 ALA CA . 6541 1 1486 . 1 1 147 147 ALA CB C 13 18.579 0.200 . 1 . . . . 147 ALA CB . 6541 1 1487 . 1 1 147 147 ALA N N 15 126.416 0.200 . 1 . . . . 147 ALA N . 6541 1 1488 . 1 1 148 148 LYS H H 1 7.661 0.020 . 1 . . . . 148 LYS H . 6541 1 1489 . 1 1 148 148 LYS HA H 1 4.113 0.020 . 1 . . . . 148 LYS HA . 6541 1 1490 . 1 1 148 148 LYS HB3 H 1 1.776 0.020 . 1 . . . . 148 LYS HB3 . 6541 1 1491 . 1 1 148 148 LYS HG3 H 1 1.347 0.020 . 1 . . . . 148 LYS HG3 . 6541 1 1492 . 1 1 148 148 LYS HD3 H 1 1.612 0.020 . 1 . . . . 148 LYS HD3 . 6541 1 1493 . 1 1 148 148 LYS HE2 H 1 2.934 0.020 . 1 . . . . 148 LYS HE2 . 6541 1 1494 . 1 1 148 148 LYS C C 13 178.918 0.200 . 1 . . . . 148 LYS C . 6541 1 1495 . 1 1 148 148 LYS CA C 13 57.478 0.200 . 1 . . . . 148 LYS CA . 6541 1 1496 . 1 1 148 148 LYS CB C 13 33.235 0.200 . 1 . . . . 148 LYS CB . 6541 1 1497 . 1 1 148 148 LYS CG C 13 24.110 0.200 . 1 . . . . 148 LYS CG . 6541 1 1498 . 1 1 148 148 LYS CD C 13 28.510 0.200 . 1 . . . . 148 LYS CD . 6541 1 1499 . 1 1 148 148 LYS CE C 13 41.935 0.200 . 1 . . . . 148 LYS CE . 6541 1 1500 . 1 1 148 148 LYS N N 15 125.503 0.200 . 1 . . . . 148 LYS N . 6541 1 stop_ save_