data_4453 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 4453 _Entry.Title ; Assignment of the 1H, 13C and 15N Resonances of the C-terminal EF-Hands of Alpha Actinin in a 14 kDa Complex with Z-Repeat 7 of Titin ; _Entry.Type . _Entry.Version_type original _Entry.Submission_date 1999-11-10 _Entry.Accession_date 1999-11-10 _Entry.Last_release_date 2000-03-22 _Entry.Original_release_date 2000-03-22 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 2.1 _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 R. Atkinson . Andrew . 4453 2 Catherine Joseph . . . 4453 3 Geoff Kelly . . . 4453 4 Frederick Muskett . W. . 4453 5 Thomas Frenkiel . A. . 4453 6 Annalisa Pastore . . . 4453 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 4453 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 455 4453 '13C chemical shifts' 291 4453 '15N chemical shifts' 68 4453 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 . . 2000-03-22 1999-11-10 original author . 4453 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 4453 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title ; Letter to the Editor: Assignment of the 1H, 13C and 15N resonances of the C-terminal EF-hands of alpha-actinin in a 14 kDa complex with Z-repeat 7 of titin ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biomol. NMR' _Citation.Journal_name_full . _Citation.Journal_volume 16 _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 277 _Citation.Page_last 278 _Citation.Year 2000 _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 R. Atkinson . Andrew . 4453 1 2 Catherine Joseph . . . 4453 1 3 Geoff Kelly . . . 4453 1 4 Frederick Muskett . W. . 4453 1 5 Thomas Frenkiel . A. . 4453 1 6 Annalisa Pastore . . . 4453 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID Alpha-Actinin 4453 1 Assignment 4453 1 EF-hand 4453 1 Titin 4453 1 Z-disk 4453 1 stop_ save_ save_reference_1 _Citation.Sf_category citations _Citation.Sf_framecode reference_1 _Citation.Entry_ID 4453 _Citation.ID 2 _Citation.Class 'reference citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code 92250531 _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title . _Citation.Status . _Citation.Type . _Citation.Journal_abbrev . _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _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 . _Citation.Page_last . _Citation.Year . _Citation.Details . save_ save_reference_2 _Citation.Sf_category citations _Citation.Sf_framecode reference_2 _Citation.Entry_ID 4453 _Citation.ID 3 _Citation.Class 'reference citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code 97092327 _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title . _Citation.Status . _Citation.Type . _Citation.Journal_abbrev . _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _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 . _Citation.Page_last . _Citation.Year . _Citation.Details . save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_actinin_titin _Assembly.Sf_category assembly _Assembly.Sf_framecode system_actinin_titin _Assembly.Entry_ID 4453 _Assembly.ID 1 _Assembly.Name 'alpha-actinin/titin complex' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state 'fully reduced' _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID complex 4453 1 stop_ 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 'alpha-actininC-terminal EF-hands' 1 $alpha-actinin . . . native . . . . . 4453 1 2 'titin Z-repeat 7' 2 $ZR7 . . . native . . . . . 4453 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'alpha-actinin/titin complex' system 4453 1 actinin/titin abbreviation 4453 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'Components of Z-disk in muscle sarcomere' 4453 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_alpha-actinin _Entity.Sf_category entity _Entity.Sf_framecode alpha-actinin _Entity.Entry_ID 4453 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'alpha-actinin C-terminal EF-hands' _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 ; GAMADTDTAEQVIASFRILA SDKPYILAEELRRELPPDQA QYCIKRMPAYSGPGSVPGAL DYAAFSSALYGESDL ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 75 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'fully reduced' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 8071.05 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details 'reported molecular mass is for unlabelled protein' _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-24 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 17626 . Act2-EF34 . . . . . 100.00 75 100.00 100.00 6.08e-45 . . . . 4453 1 2 no BMRB 17627 . Act2-EF34 . . . . . 100.00 75 100.00 100.00 6.08e-45 . . . . 4453 1 3 no BMRB 4454 . "alpha-actinin C-terminal EF-hands" . . . . . 100.00 75 100.00 100.00 6.08e-45 . . . . 4453 1 4 no PDB 1H8B . "Ef-Hands 3,4 From Alpha-Actinin Z-Repeat 7 From Titin" . . . . . 100.00 75 100.00 100.00 6.08e-45 . . . . 4453 1 5 no PDB 4D1E . "The Crystal Structure Of Human Muscle Alpha-actinin-2" . . . . . 96.00 876 100.00 100.00 1.12e-40 . . . . 4453 1 6 no DBJ BAB22865 . "unnamed protein product [Mus musculus]" . . . . . 96.00 225 97.22 97.22 2.48e-41 . . . . 4453 1 7 no DBJ BAD92758 . "actinin, alpha 2 variant [Homo sapiens]" . . . . . 96.00 664 100.00 100.00 1.56e-40 . . . . 4453 1 8 no DBJ BAG37672 . "unnamed protein product [Homo sapiens]" . . . . . 96.00 894 100.00 100.00 1.10e-40 . . . . 4453 1 9 no DBJ BAH11921 . "unnamed protein product [Homo sapiens]" . . . . . 96.00 803 98.61 98.61 2.68e-40 . . . . 4453 1 10 no DBJ BAH12587 . "unnamed protein product [Homo sapiens]" . . . . . 96.00 679 100.00 100.00 1.75e-40 . . . . 4453 1 11 no EMBL CAB61269 . "alpha-actinin 2 protein [Homo sapiens]" . . . . . 96.00 894 100.00 100.00 9.84e-41 . . . . 4453 1 12 no GB AAA51583 . "alpha-actinin [Homo sapiens]" . . . . . 96.00 894 100.00 100.00 9.84e-41 . . . . 4453 1 13 no GB AAF76325 . "alpha-actinin 2 [Mus musculus]" . . . . . 96.00 894 97.22 97.22 1.64e-39 . . . . 4453 1 14 no GB AAH47901 . "Actinin, alpha 2 [Homo sapiens]" . . . . . 96.00 894 100.00 100.00 9.84e-41 . . . . 4453 1 15 no GB AAH51770 . "Actinin, alpha 2 [Homo sapiens]" . . . . . 96.00 894 100.00 100.00 9.84e-41 . . . . 4453 1 16 no GB AAH89579 . "Actinin alpha 2 [Mus musculus]" . . . . . 96.00 894 97.22 97.22 1.75e-39 . . . . 4453 1 17 no REF NP_001029807 . "alpha-actinin-2 [Bos taurus]" . . . . . 96.00 894 98.61 98.61 3.51e-40 . . . . 4453 1 18 no REF NP_001094 . "alpha-actinin-2 isoform 1 [Homo sapiens]" . . . . . 96.00 894 100.00 100.00 9.84e-41 . . . . 4453 1 19 no REF NP_001163796 . "alpha-actinin-2 [Rattus norvegicus]" . . . . . 96.00 894 97.22 97.22 1.93e-39 . . . . 4453 1 20 no REF NP_001230595 . "alpha-actinin-2 [Sus scrofa]" . . . . . 96.00 894 98.61 98.61 3.80e-40 . . . . 4453 1 21 no REF NP_001265272 . "alpha-actinin-2 isoform 2 [Homo sapiens]" . . . . . 96.00 894 100.00 100.00 1.10e-40 . . . . 4453 1 22 no SP P35609 . "RecName: Full=Alpha-actinin-2; AltName: Full=Alpha-actinin skeletal muscle isoform 2; AltName: Full=F-actin cross-linking prote" . . . . . 96.00 894 100.00 100.00 9.84e-41 . . . . 4453 1 23 no SP Q3ZC55 . "RecName: Full=Alpha-actinin-2; AltName: Full=Alpha-actinin skeletal muscle isoform 2; AltName: Full=F-actin cross-linking prote" . . . . . 96.00 894 98.61 98.61 3.51e-40 . . . . 4453 1 24 no SP Q9JI91 . "RecName: Full=Alpha-actinin-2; AltName: Full=Alpha-actinin skeletal muscle isoform 2; AltName: Full=F-actin cross-linking prote" . . . . . 96.00 894 97.22 97.22 1.93e-39 . . . . 4453 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'alpha-actinin C-terminal EF-hands' common 4453 1 EF34 abbreviation 4453 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 . GLY . 4453 1 2 . ALA . 4453 1 3 . MET . 4453 1 4 . ALA . 4453 1 5 . ASP . 4453 1 6 . THR . 4453 1 7 . ASP . 4453 1 8 . THR . 4453 1 9 . ALA . 4453 1 10 . GLU . 4453 1 11 . GLN . 4453 1 12 . VAL . 4453 1 13 . ILE . 4453 1 14 . ALA . 4453 1 15 . SER . 4453 1 16 . PHE . 4453 1 17 . ARG . 4453 1 18 . ILE . 4453 1 19 . LEU . 4453 1 20 . ALA . 4453 1 21 . SER . 4453 1 22 . ASP . 4453 1 23 . LYS . 4453 1 24 . PRO . 4453 1 25 . TYR . 4453 1 26 . ILE . 4453 1 27 . LEU . 4453 1 28 . ALA . 4453 1 29 . GLU . 4453 1 30 . GLU . 4453 1 31 . LEU . 4453 1 32 . ARG . 4453 1 33 . ARG . 4453 1 34 . GLU . 4453 1 35 . LEU . 4453 1 36 . PRO . 4453 1 37 . PRO . 4453 1 38 . ASP . 4453 1 39 . GLN . 4453 1 40 . ALA . 4453 1 41 . GLN . 4453 1 42 . TYR . 4453 1 43 . CYS . 4453 1 44 . ILE . 4453 1 45 . LYS . 4453 1 46 . ARG . 4453 1 47 . MET . 4453 1 48 . PRO . 4453 1 49 . ALA . 4453 1 50 . TYR . 4453 1 51 . SER . 4453 1 52 . GLY . 4453 1 53 . PRO . 4453 1 54 . GLY . 4453 1 55 . SER . 4453 1 56 . VAL . 4453 1 57 . PRO . 4453 1 58 . GLY . 4453 1 59 . ALA . 4453 1 60 . LEU . 4453 1 61 . ASP . 4453 1 62 . TYR . 4453 1 63 . ALA . 4453 1 64 . ALA . 4453 1 65 . PHE . 4453 1 66 . SER . 4453 1 67 . SER . 4453 1 68 . ALA . 4453 1 69 . LEU . 4453 1 70 . TYR . 4453 1 71 . GLY . 4453 1 72 . GLU . 4453 1 73 . SER . 4453 1 74 . ASP . 4453 1 75 . LEU . 4453 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 . GLY 1 1 4453 1 . ALA 2 2 4453 1 . MET 3 3 4453 1 . ALA 4 4 4453 1 . ASP 5 5 4453 1 . THR 6 6 4453 1 . ASP 7 7 4453 1 . THR 8 8 4453 1 . ALA 9 9 4453 1 . GLU 10 10 4453 1 . GLN 11 11 4453 1 . VAL 12 12 4453 1 . ILE 13 13 4453 1 . ALA 14 14 4453 1 . SER 15 15 4453 1 . PHE 16 16 4453 1 . ARG 17 17 4453 1 . ILE 18 18 4453 1 . LEU 19 19 4453 1 . ALA 20 20 4453 1 . SER 21 21 4453 1 . ASP 22 22 4453 1 . LYS 23 23 4453 1 . PRO 24 24 4453 1 . TYR 25 25 4453 1 . ILE 26 26 4453 1 . LEU 27 27 4453 1 . ALA 28 28 4453 1 . GLU 29 29 4453 1 . GLU 30 30 4453 1 . LEU 31 31 4453 1 . ARG 32 32 4453 1 . ARG 33 33 4453 1 . GLU 34 34 4453 1 . LEU 35 35 4453 1 . PRO 36 36 4453 1 . PRO 37 37 4453 1 . ASP 38 38 4453 1 . GLN 39 39 4453 1 . ALA 40 40 4453 1 . GLN 41 41 4453 1 . TYR 42 42 4453 1 . CYS 43 43 4453 1 . ILE 44 44 4453 1 . LYS 45 45 4453 1 . ARG 46 46 4453 1 . MET 47 47 4453 1 . PRO 48 48 4453 1 . ALA 49 49 4453 1 . TYR 50 50 4453 1 . SER 51 51 4453 1 . GLY 52 52 4453 1 . PRO 53 53 4453 1 . GLY 54 54 4453 1 . SER 55 55 4453 1 . VAL 56 56 4453 1 . PRO 57 57 4453 1 . GLY 58 58 4453 1 . ALA 59 59 4453 1 . LEU 60 60 4453 1 . ASP 61 61 4453 1 . TYR 62 62 4453 1 . ALA 63 63 4453 1 . ALA 64 64 4453 1 . PHE 65 65 4453 1 . SER 66 66 4453 1 . SER 67 67 4453 1 . ALA 68 68 4453 1 . LEU 69 69 4453 1 . TYR 70 70 4453 1 . GLY 71 71 4453 1 . GLU 72 72 4453 1 . SER 73 73 4453 1 . ASP 74 74 4453 1 . LEU 75 75 4453 1 stop_ save_ save_ZR7 _Entity.Sf_category entity _Entity.Sf_framecode ZR7 _Entity.Entry_ID 4453 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name 'titin Z-repeat 7' _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 ; GAMGKVGVGKKAEAVATVVA AVDQARVREPREPGLPEDSY AQQTTLEYGYKEH ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 53 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'not reported' _Entity.Src_method . _Entity.Parent_entity_ID 2 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 5659.33 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details 'reported molecular mass is for unlabelled protein' _Entity.DB_query_date 2008-08-19 _Entity.DB_query_revised_last_date 2008-08-19 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 . . EMBL CAA77028 . 'titin [Oryctolagus cuniculus]' . . . . . 94.34 2000 100.00 100.00 2.10e-12 . . . . 4453 2 . . PDB 1H8B . 'Ef-Hands 3,4 From Alpha-Actinin Z-Repeat 7 From Titin' . . . . . 100.00 53 100.00 100.00 9.26e-22 . . . . 4453 2 . . BMRB 4454 . 'titin Z-repeat 7' . . . . . 96.23 51 100.00 100.00 9.74e-21 . . . . 4453 2 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'titin Z-repeat 7' common 4453 2 ZR7 abbreviation 4453 2 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . GLY . 4453 2 2 . ALA . 4453 2 3 . MET . 4453 2 4 . GLY . 4453 2 5 . LYS . 4453 2 6 . VAL . 4453 2 7 . GLY . 4453 2 8 . VAL . 4453 2 9 . GLY . 4453 2 10 . LYS . 4453 2 11 . LYS . 4453 2 12 . ALA . 4453 2 13 . GLU . 4453 2 14 . ALA . 4453 2 15 . VAL . 4453 2 16 . ALA . 4453 2 17 . THR . 4453 2 18 . VAL . 4453 2 19 . VAL . 4453 2 20 . ALA . 4453 2 21 . ALA . 4453 2 22 . VAL . 4453 2 23 . ASP . 4453 2 24 . GLN . 4453 2 25 . ALA . 4453 2 26 . ARG . 4453 2 27 . VAL . 4453 2 28 . ARG . 4453 2 29 . GLU . 4453 2 30 . PRO . 4453 2 31 . ARG . 4453 2 32 . GLU . 4453 2 33 . PRO . 4453 2 34 . GLY . 4453 2 35 . LEU . 4453 2 36 . PRO . 4453 2 37 . GLU . 4453 2 38 . ASP . 4453 2 39 . SER . 4453 2 40 . TYR . 4453 2 41 . ALA . 4453 2 42 . GLN . 4453 2 43 . GLN . 4453 2 44 . THR . 4453 2 45 . THR . 4453 2 46 . LEU . 4453 2 47 . GLU . 4453 2 48 . TYR . 4453 2 49 . GLY . 4453 2 50 . TYR . 4453 2 51 . LYS . 4453 2 52 . GLU . 4453 2 53 . HIS . 4453 2 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 4453 2 . ALA 2 2 4453 2 . MET 3 3 4453 2 . GLY 4 4 4453 2 . LYS 5 5 4453 2 . VAL 6 6 4453 2 . GLY 7 7 4453 2 . VAL 8 8 4453 2 . GLY 9 9 4453 2 . LYS 10 10 4453 2 . LYS 11 11 4453 2 . ALA 12 12 4453 2 . GLU 13 13 4453 2 . ALA 14 14 4453 2 . VAL 15 15 4453 2 . ALA 16 16 4453 2 . THR 17 17 4453 2 . VAL 18 18 4453 2 . VAL 19 19 4453 2 . ALA 20 20 4453 2 . ALA 21 21 4453 2 . VAL 22 22 4453 2 . ASP 23 23 4453 2 . GLN 24 24 4453 2 . ALA 25 25 4453 2 . ARG 26 26 4453 2 . VAL 27 27 4453 2 . ARG 28 28 4453 2 . GLU 29 29 4453 2 . PRO 30 30 4453 2 . ARG 31 31 4453 2 . GLU 32 32 4453 2 . PRO 33 33 4453 2 . GLY 34 34 4453 2 . LEU 35 35 4453 2 . PRO 36 36 4453 2 . GLU 37 37 4453 2 . ASP 38 38 4453 2 . SER 39 39 4453 2 . TYR 40 40 4453 2 . ALA 41 41 4453 2 . GLN 42 42 4453 2 . GLN 43 43 4453 2 . THR 44 44 4453 2 . THR 45 45 4453 2 . LEU 46 46 4453 2 . GLU 47 47 4453 2 . TYR 48 48 4453 2 . GLY 49 49 4453 2 . TYR 50 50 4453 2 . LYS 51 51 4453 2 . GLU 52 52 4453 2 . HIS 53 53 4453 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 4453 _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 $alpha-actinin . 9606 organism . 'Homo sapiens' human . . Eukaryota Metazoa Homo sapiens . . . . 'skeletal muscle' . . . . . . . . . . . . . . . . 4453 1 2 2 $ZR7 . 9986 organism . 'Oryctolagus cuniculus' Rabbits . . Eukaryota Metazoa Oryctolagus cuniculus . . . . 'cardiac muscle' . . . . . . . . . . . . . . . . 4453 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 4453 _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 $alpha-actinin . 'recombinant technology' 'Escherichia coli' 'E. coli' . . Escherichia coli . . . . . . . . . . . . . . . . . . . . . . . 4453 1 2 2 $ZR7 . 'recombinant technology' 'Escherichia coli' 'E. coli' . . Escherichia coli . . . . . . . . . . . . . . . . . . . . . . . 4453 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_one _Sample.Sf_category sample _Sample.Sf_framecode sample_one _Sample.Entry_ID 4453 _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 'alpha-actinin C-terminal EF-hands' [U-15N] . . 1 $alpha-actinin . . . 0.5 1.0 mM . . . . 4453 1 2 'titin Z-repeat 7' . . . 2 $ZR7 . . . 0.5 1.0 mM . . . . 4453 1 3 'sodium phosphate' . . . . . . . 20 . . mM . . . . 4453 1 stop_ save_ save_sample_two _Sample.Sf_category sample _Sample.Sf_framecode sample_two _Sample.Entry_ID 4453 _Sample.ID 2 _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 'alpha-actinin C-terminal EF-hands' '[U-13C; U-15N]' . . 1 $alpha-actinin . . . 0.5 1.0 mM . . . . 4453 2 2 'titin Z-repeat 7' . . . 2 $ZR7 . . . 0.5 1.0 mM . . . . 4453 2 3 'sodium phosphate' . . . . . . . 20 . . mM . . . . 4453 2 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions _Sample_condition_list.Entry_ID 4453 _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 6.6 0.1 na 4453 1 temperature 300 0.5 K 4453 1 stop_ save_ ############################ # Computer software used # ############################ save_software_one _Software.Sf_category software _Software.Sf_framecode software_one _Software.Entry_ID 4453 _Software.ID 1 _Software.Name nmrPipe _Software.Version . _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 4453 1 stop_ save_ save_software_two _Software.Sf_category software _Software.Sf_framecode software_two _Software.Entry_ID 4453 _Software.ID 2 _Software.Name XEASY _Software.Version . _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID analysis 4453 2 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_one _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_one _NMR_spectrometer.Entry_ID 4453 _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_ save_NMR_spectrometer_two _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_two _NMR_spectrometer.Entry_ID 4453 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model UnityPlus _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_NMR_spectrometer_three _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_three _NMR_spectrometer.Entry_ID 4453 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model UnityPlus _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 4453 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 NMR_spectrometer_one Bruker DRX . 800 . . . 4453 1 2 NMR_spectrometer_two Varian UnityPlus . 500 . . . 4453 1 3 NMR_spectrometer_three Varian UnityPlus . 600 . . . 4453 1 stop_ save_ ############################# # NMR applied experiments # ############################# save_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list _Experiment_list.Entry_ID 4453 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' . . . . . . . . . . . . . . . . 1 $sample_conditions . . . . . . . . . . . . . . . . . . . . . 4453 1 2 '2D 1H-13C HSQC' . . . . . . . . . . . . . . . . 1 $sample_conditions . . . . . . . . . . . . . . . . . . . . . 4453 1 3 '3D HNCA' . . . . . . . . . . . . . . . . 1 $sample_conditions . . . . . . . . . . . . . . . . . . . . . 4453 1 4 '3D HN(CO)CA' . . . . . . . . . . . . . . . . 1 $sample_conditions . . . . . . . . . . . . . . . . . . . . . 4453 1 5 '3D HNCO' . . . . . . . . . . . . . . . . 1 $sample_conditions . . . . . . . . . . . . . . . . . . . . . 4453 1 6 '3D CBCANH' . . . . . . . . . . . . . . . . 1 $sample_conditions . . . . . . . . . . . . . . . . . . . . . 4453 1 7 '3D CBCA(CO)NH' . . . . . . . . . . . . . . . . 1 $sample_conditions . . . . . . . . . . . . . . . . . . . . . 4453 1 8 '3D HCCH-TOCSY' . . . . . . . . . . . . . . . . 1 $sample_conditions . . . . . . . . . . . . . . . . . . . . . 4453 1 9 '3D 1H-15N NOESY-HSQC' . . . . . . . . . . . . . . . . 1 $sample_conditions . . . . . . . . . . . . . . . . . . . . . 4453 1 10 '3D 1H-15N TOCSY-HSQC' . . . . . . . . . . . . . . . . 1 $sample_conditions . . . . . . . . . . . . . . . . . . . . . 4453 1 11 '3D 1H-13C NOESY-HSQC' . . . . . . . . . . . . . . . . 1 $sample_conditions . . . . . . . . . . . . . . . . . . . . . 4453 1 12 '3D HNHA' . . . . . . . . . . . . . . . . 1 $sample_conditions . . . . . . . . . . . . . . . . . . . . . 4453 1 13 '3D HNHB' . . . . . . . . . . . . . . . . 1 $sample_conditions . . . . . . . . . . . . . . . . . . . . . 4453 1 stop_ save_ save_NMR_spec_expt__0_1 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_1 _NMR_spec_expt.Entry_ID 4453 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name '2D 1H-15N HSQC' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_2 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_2 _NMR_spec_expt.Entry_ID 4453 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name '2D 1H-13C HSQC' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_3 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_3 _NMR_spec_expt.Entry_ID 4453 _NMR_spec_expt.ID 3 _NMR_spec_expt.Name '3D HNCA' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_4 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_4 _NMR_spec_expt.Entry_ID 4453 _NMR_spec_expt.ID 4 _NMR_spec_expt.Name '3D HN(CO)CA' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_5 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_5 _NMR_spec_expt.Entry_ID 4453 _NMR_spec_expt.ID 5 _NMR_spec_expt.Name '3D HNCO' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_6 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_6 _NMR_spec_expt.Entry_ID 4453 _NMR_spec_expt.ID 6 _NMR_spec_expt.Name '3D CBCANH' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_7 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_7 _NMR_spec_expt.Entry_ID 4453 _NMR_spec_expt.ID 7 _NMR_spec_expt.Name '3D CBCA(CO)NH' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_8 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_8 _NMR_spec_expt.Entry_ID 4453 _NMR_spec_expt.ID 8 _NMR_spec_expt.Name '3D HCCH-TOCSY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_9 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_9 _NMR_spec_expt.Entry_ID 4453 _NMR_spec_expt.ID 9 _NMR_spec_expt.Name '3D 1H-15N NOESY-HSQC' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_10 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_10 _NMR_spec_expt.Entry_ID 4453 _NMR_spec_expt.ID 10 _NMR_spec_expt.Name '3D 1H-15N TOCSY-HSQC' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_11 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_11 _NMR_spec_expt.Entry_ID 4453 _NMR_spec_expt.ID 11 _NMR_spec_expt.Name '3D 1H-13C NOESY-HSQC' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_12 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_12 _NMR_spec_expt.Entry_ID 4453 _NMR_spec_expt.ID 12 _NMR_spec_expt.Name '3D HNHA' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_13 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_13 _NMR_spec_expt.Entry_ID 4453 _NMR_spec_expt.ID 13 _NMR_spec_expt.Name '3D HNHB' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference _Chem_shift_reference.Entry_ID 4453 _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 H 1 DSS 'methyl protons' . . . . ppm 0.0 . direct 1.0 . . . . . . . . . 4453 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 4453 1 C 13 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . . . . . . . 4453 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chemical_shifts _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts _Assigned_chem_shift_list.Entry_ID 4453 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _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_one . 4453 1 . . 2 $sample_two . 4453 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 3 3 MET N N 15 119.6 0.05 . 1 . . . . . . . . 4453 1 2 . 1 1 3 3 MET H H 1 8.43 0.02 . 1 . . . . . . . . 4453 1 3 . 1 1 3 3 MET CA C 13 55.5 0.05 . 1 . . . . . . . . 4453 1 4 . 1 1 3 3 MET HA H 1 4.45 0.02 . 1 . . . . . . . . 4453 1 5 . 1 1 3 3 MET CB C 13 33.0 0.05 . 1 . . . . . . . . 4453 1 6 . 1 1 3 3 MET HB2 H 1 2.08 0.02 . 2 . . . . . . . . 4453 1 7 . 1 1 3 3 MET HB3 H 1 1.99 0.02 . 2 . . . . . . . . 4453 1 8 . 1 1 3 3 MET CG C 13 32.2 0.05 . 1 . . . . . . . . 4453 1 9 . 1 1 3 3 MET HG2 H 1 2.58 0.02 . 2 . . . . . . . . 4453 1 10 . 1 1 3 3 MET HG3 H 1 2.51 0.02 . 2 . . . . . . . . 4453 1 11 . 1 1 3 3 MET C C 13 175.9 0.05 . 1 . . . . . . . . 4453 1 12 . 1 1 4 4 ALA N N 15 124.9 0.05 . 1 . . . . . . . . 4453 1 13 . 1 1 4 4 ALA H H 1 8.29 0.02 . 1 . . . . . . . . 4453 1 14 . 1 1 4 4 ALA CA C 13 52.5 0.05 . 1 . . . . . . . . 4453 1 15 . 1 1 4 4 ALA HA H 1 3.74 0.02 . 1 . . . . . . . . 4453 1 16 . 1 1 4 4 ALA HB1 H 1 1.36 0.02 . 1 . . . . . . . . 4453 1 17 . 1 1 4 4 ALA HB2 H 1 1.36 0.02 . 1 . . . . . . . . 4453 1 18 . 1 1 4 4 ALA HB3 H 1 1.36 0.02 . 1 . . . . . . . . 4453 1 19 . 1 1 4 4 ALA CB C 13 19.3 0.05 . 1 . . . . . . . . 4453 1 20 . 1 1 4 4 ALA C C 13 177.4 0.05 . 1 . . . . . . . . 4453 1 21 . 1 1 5 5 ASP N N 15 119.6 0.05 . 1 . . . . . . . . 4453 1 22 . 1 1 5 5 ASP H H 1 8.29 0.02 . 1 . . . . . . . . 4453 1 23 . 1 1 5 5 ASP CA C 13 54.6 0.05 . 1 . . . . . . . . 4453 1 24 . 1 1 5 5 ASP HA H 1 4.61 0.02 . 1 . . . . . . . . 4453 1 25 . 1 1 5 5 ASP CB C 13 41.0 0.05 . 1 . . . . . . . . 4453 1 26 . 1 1 5 5 ASP HB2 H 1 2.73 0.02 . 2 . . . . . . . . 4453 1 27 . 1 1 5 5 ASP HB3 H 1 2.64 0.02 . 2 . . . . . . . . 4453 1 28 . 1 1 5 5 ASP C C 13 176.5 0.05 . 1 . . . . . . . . 4453 1 29 . 1 1 6 6 THR N N 15 112.9 0.05 . 1 . . . . . . . . 4453 1 30 . 1 1 6 6 THR H H 1 7.92 0.02 . 1 . . . . . . . . 4453 1 31 . 1 1 6 6 THR CA C 13 62.3 0.05 . 1 . . . . . . . . 4453 1 32 . 1 1 6 6 THR HA H 1 4.25 0.02 . 1 . . . . . . . . 4453 1 33 . 1 1 6 6 THR CB C 13 69.7 0.05 . 1 . . . . . . . . 4453 1 34 . 1 1 6 6 THR HB H 1 4.26 0.02 . 1 . . . . . . . . 4453 1 35 . 1 1 6 6 THR HG21 H 1 1.18 0.02 . 1 . . . . . . . . 4453 1 36 . 1 1 6 6 THR HG22 H 1 1.18 0.02 . 1 . . . . . . . . 4453 1 37 . 1 1 6 6 THR HG23 H 1 1.18 0.02 . 1 . . . . . . . . 4453 1 38 . 1 1 6 6 THR CG2 C 13 21.6 0.05 . 1 . . . . . . . . 4453 1 39 . 1 1 6 6 THR C C 13 174.7 0.05 . 1 . . . . . . . . 4453 1 40 . 1 1 7 7 ASP N N 15 123.1 0.05 . 1 . . . . . . . . 4453 1 41 . 1 1 7 7 ASP H H 1 8.28 0.02 . 1 . . . . . . . . 4453 1 42 . 1 1 7 7 ASP CA C 13 54.9 0.05 . 1 . . . . . . . . 4453 1 43 . 1 1 7 7 ASP HA H 1 4.68 0.02 . 1 . . . . . . . . 4453 1 44 . 1 1 7 7 ASP CB C 13 41.0 0.05 . 1 . . . . . . . . 4453 1 45 . 1 1 7 7 ASP HB2 H 1 2.66 0.02 . 1 . . . . . . . . 4453 1 46 . 1 1 7 7 ASP HB3 H 1 2.66 0.02 . 1 . . . . . . . . 4453 1 47 . 1 1 7 7 ASP C C 13 176.7 0.05 . 1 . . . . . . . . 4453 1 48 . 1 1 8 8 THR N N 15 114.2 0.05 . 1 . . . . . . . . 4453 1 49 . 1 1 8 8 THR H H 1 7.86 0.02 . 1 . . . . . . . . 4453 1 50 . 1 1 8 8 THR CA C 13 63.0 0.05 . 1 . . . . . . . . 4453 1 51 . 1 1 8 8 THR HA H 1 3.99 0.02 . 1 . . . . . . . . 4453 1 52 . 1 1 8 8 THR CB C 13 70.1 0.05 . 1 . . . . . . . . 4453 1 53 . 1 1 8 8 THR HB H 1 4.02 0.02 . 1 . . . . . . . . 4453 1 54 . 1 1 8 8 THR HG21 H 1 1.04 0.02 . 1 . . . . . . . . 4453 1 55 . 1 1 8 8 THR HG22 H 1 1.04 0.02 . 1 . . . . . . . . 4453 1 56 . 1 1 8 8 THR HG23 H 1 1.04 0.02 . 1 . . . . . . . . 4453 1 57 . 1 1 8 8 THR CG2 C 13 21.9 0.05 . 1 . . . . . . . . 4453 1 58 . 1 1 8 8 THR C C 13 175.1 0.05 . 1 . . . . . . . . 4453 1 59 . 1 1 9 9 ALA N N 15 122.8 0.05 . 1 . . . . . . . . 4453 1 60 . 1 1 9 9 ALA H H 1 8.19 0.02 . 1 . . . . . . . . 4453 1 61 . 1 1 9 9 ALA CA C 13 55.3 0.05 . 1 . . . . . . . . 4453 1 62 . 1 1 9 9 ALA HA H 1 3.77 0.02 . 1 . . . . . . . . 4453 1 63 . 1 1 9 9 ALA HB1 H 1 1.29 0.02 . 1 . . . . . . . . 4453 1 64 . 1 1 9 9 ALA HB2 H 1 1.29 0.02 . 1 . . . . . . . . 4453 1 65 . 1 1 9 9 ALA HB3 H 1 1.29 0.02 . 1 . . . . . . . . 4453 1 66 . 1 1 9 9 ALA CB C 13 18.1 0.05 . 1 . . . . . . . . 4453 1 67 . 1 1 9 9 ALA C C 13 179.3 0.05 . 1 . . . . . . . . 4453 1 68 . 1 1 10 10 GLU N N 15 116.3 0.05 . 1 . . . . . . . . 4453 1 69 . 1 1 10 10 GLU H H 1 8.11 0.02 . 1 . . . . . . . . 4453 1 70 . 1 1 10 10 GLU CA C 13 60.0 0.05 . 1 . . . . . . . . 4453 1 71 . 1 1 10 10 GLU HA H 1 3.95 0.02 . 1 . . . . . . . . 4453 1 72 . 1 1 10 10 GLU CB C 13 29.2 0.05 . 1 . . . . . . . . 4453 1 73 . 1 1 10 10 GLU HB2 H 1 2.08 0.02 . 2 . . . . . . . . 4453 1 74 . 1 1 10 10 GLU HB3 H 1 1.99 0.02 . 2 . . . . . . . . 4453 1 75 . 1 1 10 10 GLU CG C 13 36.3 0.05 . 1 . . . . . . . . 4453 1 76 . 1 1 10 10 GLU HG2 H 1 2.33 0.02 . 2 . . . . . . . . 4453 1 77 . 1 1 10 10 GLU HG3 H 1 2.29 0.02 . 2 . . . . . . . . 4453 1 78 . 1 1 10 10 GLU C C 13 179.3 0.05 . 1 . . . . . . . . 4453 1 79 . 1 1 11 11 GLN N N 15 118.8 0.05 . 1 . . . . . . . . 4453 1 80 . 1 1 11 11 GLN H H 1 7.84 0.02 . 1 . . . . . . . . 4453 1 81 . 1 1 11 11 GLN CA C 13 58.5 0.05 . 1 . . . . . . . . 4453 1 82 . 1 1 11 11 GLN HA H 1 4.17 0.02 . 1 . . . . . . . . 4453 1 83 . 1 1 11 11 GLN CB C 13 28.4 0.05 . 1 . . . . . . . . 4453 1 84 . 1 1 11 11 GLN HB2 H 1 2.19 0.02 . 2 . . . . . . . . 4453 1 85 . 1 1 11 11 GLN HB3 H 1 2.10 0.02 . 2 . . . . . . . . 4453 1 86 . 1 1 11 11 GLN CG C 13 34.3 0.05 . 1 . . . . . . . . 4453 1 87 . 1 1 11 11 GLN HG2 H 1 2.35 0.02 . 1 . . . . . . . . 4453 1 88 . 1 1 11 11 GLN HG3 H 1 2.35 0.02 . 1 . . . . . . . . 4453 1 89 . 1 1 11 11 GLN NE2 N 15 112.2 0.05 . 1 . . . . . . . . 4453 1 90 . 1 1 11 11 GLN HE21 H 1 7.42 0.02 . 2 . . . . . . . . 4453 1 91 . 1 1 11 11 GLN HE22 H 1 6.76 0.02 . 2 . . . . . . . . 4453 1 92 . 1 1 11 11 GLN C C 13 179.3 0.05 . 1 . . . . . . . . 4453 1 93 . 1 1 12 12 VAL N N 15 124.3 0.05 . 1 . . . . . . . . 4453 1 94 . 1 1 12 12 VAL H H 1 8.04 0.02 . 1 . . . . . . . . 4453 1 95 . 1 1 12 12 VAL CA C 13 67.5 0.05 . 1 . . . . . . . . 4453 1 96 . 1 1 12 12 VAL HA H 1 3.43 0.02 . 1 . . . . . . . . 4453 1 97 . 1 1 12 12 VAL CB C 13 32.2 0.05 . 1 . . . . . . . . 4453 1 98 . 1 1 12 12 VAL HB H 1 2.35 0.02 . 1 . . . . . . . . 4453 1 99 . 1 1 12 12 VAL HG11 H 1 1.19 0.02 . 2 . . . . . . . . 4453 1 100 . 1 1 12 12 VAL HG12 H 1 1.19 0.02 . 2 . . . . . . . . 4453 1 101 . 1 1 12 12 VAL HG13 H 1 1.19 0.02 . 2 . . . . . . . . 4453 1 102 . 1 1 12 12 VAL HG21 H 1 1.06 0.02 . 2 . . . . . . . . 4453 1 103 . 1 1 12 12 VAL HG22 H 1 1.06 0.02 . 2 . . . . . . . . 4453 1 104 . 1 1 12 12 VAL HG23 H 1 1.06 0.02 . 2 . . . . . . . . 4453 1 105 . 1 1 12 12 VAL CG1 C 13 22.4 0.05 . 1 . . . . . . . . 4453 1 106 . 1 1 12 12 VAL CG2 C 13 24.5 0.05 . 1 . . . . . . . . 4453 1 107 . 1 1 12 12 VAL C C 13 177.8 0.05 . 1 . . . . . . . . 4453 1 108 . 1 1 13 13 ILE N N 15 122.1 0.05 . 1 . . . . . . . . 4453 1 109 . 1 1 13 13 ILE H H 1 8.78 0.02 . 1 . . . . . . . . 4453 1 110 . 1 1 13 13 ILE CA C 13 67.7 0.05 . 1 . . . . . . . . 4453 1 111 . 1 1 13 13 ILE HA H 1 3.79 0.02 . 1 . . . . . . . . 4453 1 112 . 1 1 13 13 ILE CB C 13 38.1 0.05 . 1 . . . . . . . . 4453 1 113 . 1 1 13 13 ILE HB H 1 2.00 0.02 . 1 . . . . . . . . 4453 1 114 . 1 1 13 13 ILE HG21 H 1 1.15 0.02 . 1 . . . . . . . . 4453 1 115 . 1 1 13 13 ILE HG22 H 1 1.15 0.02 . 1 . . . . . . . . 4453 1 116 . 1 1 13 13 ILE HG23 H 1 1.15 0.02 . 1 . . . . . . . . 4453 1 117 . 1 1 13 13 ILE CG2 C 13 17.7 0.05 . 1 . . . . . . . . 4453 1 118 . 1 1 13 13 ILE CG1 C 13 32.7 0.05 . 1 . . . . . . . . 4453 1 119 . 1 1 13 13 ILE HG12 H 1 2.26 0.02 . 2 . . . . . . . . 4453 1 120 . 1 1 13 13 ILE HG13 H 1 1.08 0.02 . 2 . . . . . . . . 4453 1 121 . 1 1 13 13 ILE HD11 H 1 1.00 0.02 . 1 . . . . . . . . 4453 1 122 . 1 1 13 13 ILE HD12 H 1 1.00 0.02 . 1 . . . . . . . . 4453 1 123 . 1 1 13 13 ILE HD13 H 1 1.00 0.02 . 1 . . . . . . . . 4453 1 124 . 1 1 13 13 ILE CD1 C 13 13.4 0.05 . 1 . . . . . . . . 4453 1 125 . 1 1 13 13 ILE C C 13 177.6 0.05 . 1 . . . . . . . . 4453 1 126 . 1 1 14 14 ALA N N 15 119.8 0.05 . 1 . . . . . . . . 4453 1 127 . 1 1 14 14 ALA H H 1 8.09 0.02 . 1 . . . . . . . . 4453 1 128 . 1 1 14 14 ALA CA C 13 54.9 0.05 . 1 . . . . . . . . 4453 1 129 . 1 1 14 14 ALA HA H 1 4.01 0.02 . 1 . . . . . . . . 4453 1 130 . 1 1 14 14 ALA HB1 H 1 1.48 0.02 . 1 . . . . . . . . 4453 1 131 . 1 1 14 14 ALA HB2 H 1 1.48 0.02 . 1 . . . . . . . . 4453 1 132 . 1 1 14 14 ALA HB3 H 1 1.48 0.02 . 1 . . . . . . . . 4453 1 133 . 1 1 14 14 ALA CB C 13 18.1 0.05 . 1 . . . . . . . . 4453 1 134 . 1 1 14 14 ALA C C 13 180.7 0.05 . 1 . . . . . . . . 4453 1 135 . 1 1 15 15 SER N N 15 115.4 0.05 . 1 . . . . . . . . 4453 1 136 . 1 1 15 15 SER H H 1 7.66 0.02 . 1 . . . . . . . . 4453 1 137 . 1 1 15 15 SER CA C 13 63.0 0.05 . 1 . . . . . . . . 4453 1 138 . 1 1 15 15 SER HA H 1 4.17 0.02 . 1 . . . . . . . . 4453 1 139 . 1 1 15 15 SER CB C 13 62.6 0.05 . 1 . . . . . . . . 4453 1 140 . 1 1 15 15 SER HB2 H 1 3.92 0.02 . 1 . . . . . . . . 4453 1 141 . 1 1 15 15 SER HB3 H 1 3.92 0.02 . 1 . . . . . . . . 4453 1 142 . 1 1 15 15 SER C C 13 175.8 0.05 . 1 . . . . . . . . 4453 1 143 . 1 1 16 16 PHE N N 15 122.1 0.05 . 1 . . . . . . . . 4453 1 144 . 1 1 16 16 PHE H H 1 8.40 0.02 . 1 . . . . . . . . 4453 1 145 . 1 1 16 16 PHE CA C 13 63.2 0.05 . 1 . . . . . . . . 4453 1 146 . 1 1 16 16 PHE HA H 1 3.73 0.02 . 1 . . . . . . . . 4453 1 147 . 1 1 16 16 PHE CB C 13 40.2 0.05 . 1 . . . . . . . . 4453 1 148 . 1 1 16 16 PHE HB2 H 1 2.56 0.02 . 2 . . . . . . . . 4453 1 149 . 1 1 16 16 PHE HB3 H 1 1.72 0.02 . 2 . . . . . . . . 4453 1 150 . 1 1 16 16 PHE CD1 C 13 131.3 0.05 . 1 . . . . . . . . 4453 1 151 . 1 1 16 16 PHE HD1 H 1 7.08 0.02 . 1 . . . . . . . . 4453 1 152 . 1 1 16 16 PHE CE1 C 13 130.1 0.05 . 1 . . . . . . . . 4453 1 153 . 1 1 16 16 PHE HE1 H 1 7.18 0.02 . 1 . . . . . . . . 4453 1 154 . 1 1 16 16 PHE CZ C 13 131.3 0.05 . 1 . . . . . . . . 4453 1 155 . 1 1 16 16 PHE HZ H 1 7.31 0.02 . 1 . . . . . . . . 4453 1 156 . 1 1 16 16 PHE CE2 C 13 130.1 0.05 . 1 . . . . . . . . 4453 1 157 . 1 1 16 16 PHE HE2 H 1 7.18 0.02 . 1 . . . . . . . . 4453 1 158 . 1 1 16 16 PHE CD2 C 13 131.3 0.05 . 1 . . . . . . . . 4453 1 159 . 1 1 16 16 PHE HD2 H 1 7.08 0.02 . 1 . . . . . . . . 4453 1 160 . 1 1 16 16 PHE C C 13 177.3 0.05 . 1 . . . . . . . . 4453 1 161 . 1 1 17 17 ARG N N 15 119.0 0.05 . 1 . . . . . . . . 4453 1 162 . 1 1 17 17 ARG H H 1 8.21 0.02 . 1 . . . . . . . . 4453 1 163 . 1 1 17 17 ARG CA C 13 60.5 0.05 . 1 . . . . . . . . 4453 1 164 . 1 1 17 17 ARG HA H 1 3.56 0.02 . 1 . . . . . . . . 4453 1 165 . 1 1 17 17 ARG CB C 13 29.4 0.05 . 1 . . . . . . . . 4453 1 166 . 1 1 17 17 ARG HB2 H 1 1.99 0.02 . 2 . . . . . . . . 4453 1 167 . 1 1 17 17 ARG HB3 H 1 1.89 0.02 . 2 . . . . . . . . 4453 1 168 . 1 1 17 17 ARG CG C 13 28.6 0.05 . 1 . . . . . . . . 4453 1 169 . 1 1 17 17 ARG HG2 H 1 1.73 0.02 . 2 . . . . . . . . 4453 1 170 . 1 1 17 17 ARG HG3 H 1 1.50 0.02 . 2 . . . . . . . . 4453 1 171 . 1 1 17 17 ARG CD C 13 44.1 0.05 . 1 . . . . . . . . 4453 1 172 . 1 1 17 17 ARG HD2 H 1 3.18 0.02 . 1 . . . . . . . . 4453 1 173 . 1 1 17 17 ARG HD3 H 1 3.18 0.02 . 1 . . . . . . . . 4453 1 174 . 1 1 17 17 ARG C C 13 178.7 0.05 . 1 . . . . . . . . 4453 1 175 . 1 1 18 18 ILE N N 15 119.1 0.05 . 1 . . . . . . . . 4453 1 176 . 1 1 18 18 ILE H H 1 7.25 0.02 . 1 . . . . . . . . 4453 1 177 . 1 1 18 18 ILE CA C 13 64.8 0.05 . 1 . . . . . . . . 4453 1 178 . 1 1 18 18 ILE HA H 1 3.78 0.02 . 1 . . . . . . . . 4453 1 179 . 1 1 18 18 ILE CB C 13 37.7 0.05 . 1 . . . . . . . . 4453 1 180 . 1 1 18 18 ILE HB H 1 1.99 0.02 . 1 . . . . . . . . 4453 1 181 . 1 1 18 18 ILE HG21 H 1 0.76 0.02 . 1 . . . . . . . . 4453 1 182 . 1 1 18 18 ILE HG22 H 1 0.76 0.02 . 1 . . . . . . . . 4453 1 183 . 1 1 18 18 ILE HG23 H 1 0.76 0.02 . 1 . . . . . . . . 4453 1 184 . 1 1 18 18 ILE CG2 C 13 17.0 0.05 . 1 . . . . . . . . 4453 1 185 . 1 1 18 18 ILE CG1 C 13 29.4 0.05 . 1 . . . . . . . . 4453 1 186 . 1 1 18 18 ILE HG12 H 1 1.76 0.02 . 2 . . . . . . . . 4453 1 187 . 1 1 18 18 ILE HG13 H 1 1.13 0.02 . 2 . . . . . . . . 4453 1 188 . 1 1 18 18 ILE HD11 H 1 0.82 0.02 . 1 . . . . . . . . 4453 1 189 . 1 1 18 18 ILE HD12 H 1 0.82 0.02 . 1 . . . . . . . . 4453 1 190 . 1 1 18 18 ILE HD13 H 1 0.82 0.02 . 1 . . . . . . . . 4453 1 191 . 1 1 18 18 ILE CD1 C 13 13.9 0.05 . 1 . . . . . . . . 4453 1 192 . 1 1 18 18 ILE C C 13 180.7 0.05 . 1 . . . . . . . . 4453 1 193 . 1 1 19 19 LEU N N 15 121.5 0.05 . 1 . . . . . . . . 4453 1 194 . 1 1 19 19 LEU H H 1 7.63 0.02 . 1 . . . . . . . . 4453 1 195 . 1 1 19 19 LEU CA C 13 57.6 0.05 . 1 . . . . . . . . 4453 1 196 . 1 1 19 19 LEU HA H 1 3.91 0.02 . 1 . . . . . . . . 4453 1 197 . 1 1 19 19 LEU CB C 13 40.1 0.05 . 1 . . . . . . . . 4453 1 198 . 1 1 19 19 LEU HB2 H 1 1.91 0.02 . 2 . . . . . . . . 4453 1 199 . 1 1 19 19 LEU HB3 H 1 1.18 0.02 . 2 . . . . . . . . 4453 1 200 . 1 1 19 19 LEU CG C 13 26.0 0.05 . 1 . . . . . . . . 4453 1 201 . 1 1 19 19 LEU HG H 1 1.89 0.02 . 1 . . . . . . . . 4453 1 202 . 1 1 19 19 LEU HD11 H 1 0.72 0.02 . 2 . . . . . . . . 4453 1 203 . 1 1 19 19 LEU HD12 H 1 0.72 0.02 . 2 . . . . . . . . 4453 1 204 . 1 1 19 19 LEU HD13 H 1 0.72 0.02 . 2 . . . . . . . . 4453 1 205 . 1 1 19 19 LEU HD21 H 1 0.58 0.02 . 2 . . . . . . . . 4453 1 206 . 1 1 19 19 LEU HD22 H 1 0.58 0.02 . 2 . . . . . . . . 4453 1 207 . 1 1 19 19 LEU HD23 H 1 0.58 0.02 . 2 . . . . . . . . 4453 1 208 . 1 1 19 19 LEU CD1 C 13 22.4 0.05 . 1 . . . . . . . . 4453 1 209 . 1 1 19 19 LEU CD2 C 13 25.5 0.05 . 1 . . . . . . . . 4453 1 210 . 1 1 19 19 LEU C C 13 176.7 0.05 . 1 . . . . . . . . 4453 1 211 . 1 1 20 20 ALA N N 15 119.8 0.05 . 1 . . . . . . . . 4453 1 212 . 1 1 20 20 ALA H H 1 8.11 0.02 . 1 . . . . . . . . 4453 1 213 . 1 1 20 20 ALA CA C 13 51.2 0.05 . 1 . . . . . . . . 4453 1 214 . 1 1 20 20 ALA HA H 1 4.32 0.02 . 1 . . . . . . . . 4453 1 215 . 1 1 20 20 ALA HB1 H 1 1.44 0.02 . 1 . . . . . . . . 4453 1 216 . 1 1 20 20 ALA HB2 H 1 1.44 0.02 . 1 . . . . . . . . 4453 1 217 . 1 1 20 20 ALA HB3 H 1 1.44 0.02 . 1 . . . . . . . . 4453 1 218 . 1 1 20 20 ALA CB C 13 19.1 0.05 . 1 . . . . . . . . 4453 1 219 . 1 1 20 20 ALA C C 13 178.6 0.05 . 1 . . . . . . . . 4453 1 220 . 1 1 21 21 SER N N 15 116.6 0.05 . 1 . . . . . . . . 4453 1 221 . 1 1 21 21 SER H H 1 8.08 0.02 . 1 . . . . . . . . 4453 1 222 . 1 1 21 21 SER CA C 13 59.4 0.05 . 1 . . . . . . . . 4453 1 223 . 1 1 21 21 SER HA H 1 4.04 0.02 . 1 . . . . . . . . 4453 1 224 . 1 1 21 21 SER CB C 13 61.2 0.05 . 1 . . . . . . . . 4453 1 225 . 1 1 21 21 SER HB2 H 1 3.98 0.02 . 1 . . . . . . . . 4453 1 226 . 1 1 21 21 SER HB3 H 1 3.98 0.02 . 1 . . . . . . . . 4453 1 227 . 1 1 21 21 SER C C 13 174.2 0.05 . 1 . . . . . . . . 4453 1 228 . 1 1 22 22 ASP N N 15 111.4 0.05 . 1 . . . . . . . . 4453 1 229 . 1 1 22 22 ASP H H 1 8.67 0.02 . 1 . . . . . . . . 4453 1 230 . 1 1 22 22 ASP CA C 13 56.0 0.05 . 1 . . . . . . . . 4453 1 231 . 1 1 22 22 ASP HA H 1 4.08 0.02 . 1 . . . . . . . . 4453 1 232 . 1 1 22 22 ASP CB C 13 40.1 0.05 . 1 . . . . . . . . 4453 1 233 . 1 1 22 22 ASP HB2 H 1 2.94 0.02 . 2 . . . . . . . . 4453 1 234 . 1 1 22 22 ASP HB3 H 1 2.70 0.02 . 2 . . . . . . . . 4453 1 235 . 1 1 22 22 ASP C C 13 175.6 0.05 . 1 . . . . . . . . 4453 1 236 . 1 1 23 23 LYS N N 15 118.7 0.05 . 1 . . . . . . . . 4453 1 237 . 1 1 23 23 LYS H H 1 7.11 0.02 . 1 . . . . . . . . 4453 1 238 . 1 1 23 23 LYS CA C 13 55.8 0.05 . 1 . . . . . . . . 4453 1 239 . 1 1 23 23 LYS HA H 1 4.39 0.02 . 1 . . . . . . . . 4453 1 240 . 1 1 23 23 LYS CB C 13 31.9 0.05 . 1 . . . . . . . . 4453 1 241 . 1 1 23 23 LYS HB2 H 1 2.17 0.02 . 2 . . . . . . . . 4453 1 242 . 1 1 23 23 LYS HB3 H 1 0.63 0.02 . 2 . . . . . . . . 4453 1 243 . 1 1 24 24 PRO CA C 13 63.3 0.05 . 1 . . . . . . . . 4453 1 244 . 1 1 24 24 PRO HA H 1 4.39 0.02 . 1 . . . . . . . . 4453 1 245 . 1 1 24 24 PRO CB C 13 31.5 0.05 . 1 . . . . . . . . 4453 1 246 . 1 1 24 24 PRO C C 13 171.7 0.05 . 1 . . . . . . . . 4453 1 247 . 1 1 25 25 TYR N N 15 114.0 0.05 . 1 . . . . . . . . 4453 1 248 . 1 1 25 25 TYR H H 1 6.43 0.02 . 1 . . . . . . . . 4453 1 249 . 1 1 25 25 TYR CA C 13 54.6 0.05 . 1 . . . . . . . . 4453 1 250 . 1 1 25 25 TYR HA H 1 4.58 0.02 . 1 . . . . . . . . 4453 1 251 . 1 1 25 25 TYR CB C 13 40.4 0.05 . 1 . . . . . . . . 4453 1 252 . 1 1 25 25 TYR HB2 H 1 2.85 0.02 . 2 . . . . . . . . 4453 1 253 . 1 1 25 25 TYR HB3 H 1 1.53 0.02 . 2 . . . . . . . . 4453 1 254 . 1 1 25 25 TYR HH H 1 9.46 0.02 . 1 . . . . . . . . 4453 1 255 . 1 1 25 25 TYR C C 13 171.1 0.05 . 1 . . . . . . . . 4453 1 256 . 1 1 26 26 ILE N N 15 116.8 0.05 . 1 . . . . . . . . 4453 1 257 . 1 1 26 26 ILE H H 1 9.03 0.02 . 1 . . . . . . . . 4453 1 258 . 1 1 26 26 ILE CA C 13 59.1 0.05 . 1 . . . . . . . . 4453 1 259 . 1 1 26 26 ILE HA H 1 5.06 0.02 . 1 . . . . . . . . 4453 1 260 . 1 1 26 26 ILE CB C 13 44.0 0.05 . 1 . . . . . . . . 4453 1 261 . 1 1 26 26 ILE HB H 1 1.58 0.02 . 1 . . . . . . . . 4453 1 262 . 1 1 26 26 ILE HG21 H 1 0.80 0.02 . 1 . . . . . . . . 4453 1 263 . 1 1 26 26 ILE HG22 H 1 0.80 0.02 . 1 . . . . . . . . 4453 1 264 . 1 1 26 26 ILE HG23 H 1 0.80 0.02 . 1 . . . . . . . . 4453 1 265 . 1 1 26 26 ILE CG2 C 13 17.0 0.05 . 1 . . . . . . . . 4453 1 266 . 1 1 26 26 ILE CG1 C 13 30.6 0.05 . 1 . . . . . . . . 4453 1 267 . 1 1 26 26 ILE HG12 H 1 2.08 0.02 . 2 . . . . . . . . 4453 1 268 . 1 1 26 26 ILE HG13 H 1 1.58 0.02 . 2 . . . . . . . . 4453 1 269 . 1 1 26 26 ILE HD11 H 1 0.75 0.02 . 1 . . . . . . . . 4453 1 270 . 1 1 26 26 ILE HD12 H 1 0.75 0.02 . 1 . . . . . . . . 4453 1 271 . 1 1 26 26 ILE HD13 H 1 0.75 0.02 . 1 . . . . . . . . 4453 1 272 . 1 1 26 26 ILE CD1 C 13 14.1 0.05 . 1 . . . . . . . . 4453 1 273 . 1 1 26 26 ILE C C 13 172.4 0.05 . 1 . . . . . . . . 4453 1 274 . 1 1 27 27 LEU N N 15 124.7 0.05 . 1 . . . . . . . . 4453 1 275 . 1 1 27 27 LEU H H 1 8.84 0.02 . 1 . . . . . . . . 4453 1 276 . 1 1 27 27 LEU CA C 13 53.2 0.05 . 1 . . . . . . . . 4453 1 277 . 1 1 27 27 LEU HA H 1 5.10 0.02 . 1 . . . . . . . . 4453 1 278 . 1 1 27 27 LEU CB C 13 44.1 0.05 . 1 . . . . . . . . 4453 1 279 . 1 1 27 27 LEU HB2 H 1 1.94 0.02 . 2 . . . . . . . . 4453 1 280 . 1 1 27 27 LEU HB3 H 1 1.69 0.02 . 2 . . . . . . . . 4453 1 281 . 1 1 27 27 LEU CG C 13 27.5 0.05 . 1 . . . . . . . . 4453 1 282 . 1 1 27 27 LEU HG H 1 1.68 0.02 . 1 . . . . . . . . 4453 1 283 . 1 1 27 27 LEU HD11 H 1 1.02 0.02 . 2 . . . . . . . . 4453 1 284 . 1 1 27 27 LEU HD12 H 1 1.02 0.02 . 2 . . . . . . . . 4453 1 285 . 1 1 27 27 LEU HD13 H 1 1.02 0.02 . 2 . . . . . . . . 4453 1 286 . 1 1 27 27 LEU HD21 H 1 0.89 0.02 . 2 . . . . . . . . 4453 1 287 . 1 1 27 27 LEU HD22 H 1 0.89 0.02 . 2 . . . . . . . . 4453 1 288 . 1 1 27 27 LEU HD23 H 1 0.89 0.02 . 2 . . . . . . . . 4453 1 289 . 1 1 27 27 LEU CD1 C 13 25.5 0.05 . 1 . . . . . . . . 4453 1 290 . 1 1 27 27 LEU CD2 C 13 22.4 0.05 . 1 . . . . . . . . 4453 1 291 . 1 1 27 27 LEU C C 13 179.3 0.05 . 1 . . . . . . . . 4453 1 292 . 1 1 28 28 ALA N N 15 126.7 0.05 . 1 . . . . . . . . 4453 1 293 . 1 1 28 28 ALA H H 1 9.74 0.02 . 1 . . . . . . . . 4453 1 294 . 1 1 28 28 ALA CA C 13 56.3 0.05 . 1 . . . . . . . . 4453 1 295 . 1 1 28 28 ALA HA H 1 3.88 0.02 . 1 . . . . . . . . 4453 1 296 . 1 1 28 28 ALA HB1 H 1 1.46 0.02 . 1 . . . . . . . . 4453 1 297 . 1 1 28 28 ALA HB2 H 1 1.46 0.02 . 1 . . . . . . . . 4453 1 298 . 1 1 28 28 ALA HB3 H 1 1.46 0.02 . 1 . . . . . . . . 4453 1 299 . 1 1 28 28 ALA CB C 13 17.8 0.05 . 1 . . . . . . . . 4453 1 300 . 1 1 28 28 ALA C C 13 179.6 0.05 . 1 . . . . . . . . 4453 1 301 . 1 1 29 29 GLU N N 15 114.2 0.05 . 1 . . . . . . . . 4453 1 302 . 1 1 29 29 GLU H H 1 9.22 0.02 . 1 . . . . . . . . 4453 1 303 . 1 1 29 29 GLU CA C 13 59.4 0.05 . 1 . . . . . . . . 4453 1 304 . 1 1 29 29 GLU HA H 1 4.00 0.02 . 1 . . . . . . . . 4453 1 305 . 1 1 29 29 GLU CB C 13 29.2 0.05 . 1 . . . . . . . . 4453 1 306 . 1 1 29 29 GLU HB2 H 1 2.07 0.02 . 2 . . . . . . . . 4453 1 307 . 1 1 29 29 GLU HB3 H 1 1.99 0.02 . 2 . . . . . . . . 4453 1 308 . 1 1 29 29 GLU CG C 13 36.3 0.05 . 1 . . . . . . . . 4453 1 309 . 1 1 29 29 GLU HG2 H 1 2.32 0.02 . 2 . . . . . . . . 4453 1 310 . 1 1 29 29 GLU HG3 H 1 2.26 0.02 . 2 . . . . . . . . 4453 1 311 . 1 1 29 29 GLU C C 13 179.1 0.05 . 1 . . . . . . . . 4453 1 312 . 1 1 30 30 GLU N N 15 118.5 0.05 . 1 . . . . . . . . 4453 1 313 . 1 1 30 30 GLU H H 1 7.07 0.02 . 1 . . . . . . . . 4453 1 314 . 1 1 30 30 GLU CA C 13 59.0 0.05 . 1 . . . . . . . . 4453 1 315 . 1 1 30 30 GLU HA H 1 4.01 0.02 . 1 . . . . . . . . 4453 1 316 . 1 1 30 30 GLU CB C 13 29.3 0.05 . 1 . . . . . . . . 4453 1 317 . 1 1 30 30 GLU HB2 H 1 2.65 0.02 . 2 . . . . . . . . 4453 1 318 . 1 1 30 30 GLU HB3 H 1 1.90 0.02 . 2 . . . . . . . . 4453 1 319 . 1 1 30 30 GLU CG C 13 38.1 0.05 . 1 . . . . . . . . 4453 1 320 . 1 1 30 30 GLU HG2 H 1 2.29 0.02 . 1 . . . . . . . . 4453 1 321 . 1 1 30 30 GLU HG3 H 1 2.29 0.02 . 1 . . . . . . . . 4453 1 322 . 1 1 30 30 GLU C C 13 178.4 0.05 . 1 . . . . . . . . 4453 1 323 . 1 1 31 31 LEU N N 15 118.9 0.05 . 1 . . . . . . . . 4453 1 324 . 1 1 31 31 LEU H H 1 7.51 0.02 . 1 . . . . . . . . 4453 1 325 . 1 1 31 31 LEU CA C 13 58.7 0.05 . 1 . . . . . . . . 4453 1 326 . 1 1 31 31 LEU HA H 1 3.87 0.02 . 1 . . . . . . . . 4453 1 327 . 1 1 31 31 LEU CB C 13 42.3 0.05 . 1 . . . . . . . . 4453 1 328 . 1 1 31 31 LEU HB2 H 1 2.21 0.02 . 2 . . . . . . . . 4453 1 329 . 1 1 31 31 LEU HB3 H 1 1.15 0.02 . 2 . . . . . . . . 4453 1 330 . 1 1 31 31 LEU CG C 13 26.8 0.05 . 1 . . . . . . . . 4453 1 331 . 1 1 31 31 LEU HG H 1 1.65 0.02 . 1 . . . . . . . . 4453 1 332 . 1 1 31 31 LEU HD11 H 1 0.95 0.02 . 2 . . . . . . . . 4453 1 333 . 1 1 31 31 LEU HD12 H 1 0.95 0.02 . 2 . . . . . . . . 4453 1 334 . 1 1 31 31 LEU HD13 H 1 0.95 0.02 . 2 . . . . . . . . 4453 1 335 . 1 1 31 31 LEU HD21 H 1 0.75 0.02 . 2 . . . . . . . . 4453 1 336 . 1 1 31 31 LEU HD22 H 1 0.75 0.02 . 2 . . . . . . . . 4453 1 337 . 1 1 31 31 LEU HD23 H 1 0.75 0.02 . 2 . . . . . . . . 4453 1 338 . 1 1 31 31 LEU CD1 C 13 25.5 0.05 . 1 . . . . . . . . 4453 1 339 . 1 1 31 31 LEU CD2 C 13 27.8 0.05 . 1 . . . . . . . . 4453 1 340 . 1 1 31 31 LEU C C 13 178.0 0.05 . 1 . . . . . . . . 4453 1 341 . 1 1 32 32 ARG N N 15 113.7 0.05 . 1 . . . . . . . . 4453 1 342 . 1 1 32 32 ARG H H 1 8.14 0.02 . 1 . . . . . . . . 4453 1 343 . 1 1 32 32 ARG CA C 13 58.5 0.05 . 1 . . . . . . . . 4453 1 344 . 1 1 32 32 ARG HA H 1 3.89 0.02 . 1 . . . . . . . . 4453 1 345 . 1 1 32 32 ARG CB C 13 30.4 0.05 . 1 . . . . . . . . 4453 1 346 . 1 1 32 32 ARG HB2 H 1 1.73 0.02 . 1 . . . . . . . . 4453 1 347 . 1 1 32 32 ARG HB3 H 1 1.73 0.02 . 1 . . . . . . . . 4453 1 348 . 1 1 32 32 ARG CG C 13 28.8 0.05 . 1 . . . . . . . . 4453 1 349 . 1 1 32 32 ARG HG2 H 1 1.76 0.02 . 2 . . . . . . . . 4453 1 350 . 1 1 32 32 ARG HG3 H 1 1.44 0.02 . 2 . . . . . . . . 4453 1 351 . 1 1 32 32 ARG CD C 13 43.3 0.05 . 1 . . . . . . . . 4453 1 352 . 1 1 32 32 ARG HD2 H 1 3.16 0.02 . 2 . . . . . . . . 4453 1 353 . 1 1 32 32 ARG HD3 H 1 3.11 0.02 . 2 . . . . . . . . 4453 1 354 . 1 1 32 32 ARG C C 13 178.0 0.05 . 1 . . . . . . . . 4453 1 355 . 1 1 33 33 ARG N N 15 116.8 0.05 . 1 . . . . . . . . 4453 1 356 . 1 1 33 33 ARG H H 1 7.48 0.02 . 1 . . . . . . . . 4453 1 357 . 1 1 33 33 ARG CA C 13 58.5 0.05 . 1 . . . . . . . . 4453 1 358 . 1 1 33 33 ARG HA H 1 4.16 0.02 . 1 . . . . . . . . 4453 1 359 . 1 1 33 33 ARG CB C 13 31.3 0.05 . 1 . . . . . . . . 4453 1 360 . 1 1 33 33 ARG HB2 H 1 1.95 0.02 . 1 . . . . . . . . 4453 1 361 . 1 1 33 33 ARG HB3 H 1 1.95 0.02 . 1 . . . . . . . . 4453 1 362 . 1 1 33 33 ARG CG C 13 27.5 0.05 . 1 . . . . . . . . 4453 1 363 . 1 1 33 33 ARG HG2 H 1 1.71 0.02 . 2 . . . . . . . . 4453 1 364 . 1 1 33 33 ARG HG3 H 1 1.53 0.02 . 2 . . . . . . . . 4453 1 365 . 1 1 33 33 ARG CD C 13 43.8 0.05 . 1 . . . . . . . . 4453 1 366 . 1 1 33 33 ARG HD2 H 1 3.23 0.02 . 1 . . . . . . . . 4453 1 367 . 1 1 33 33 ARG HD3 H 1 3.23 0.02 . 1 . . . . . . . . 4453 1 368 . 1 1 33 33 ARG C C 13 178.2 0.05 . 1 . . . . . . . . 4453 1 369 . 1 1 34 34 GLU N N 15 112.8 0.05 . 1 . . . . . . . . 4453 1 370 . 1 1 34 34 GLU H H 1 7.57 0.02 . 1 . . . . . . . . 4453 1 371 . 1 1 34 34 GLU CA C 13 56.1 0.05 . 1 . . . . . . . . 4453 1 372 . 1 1 34 34 GLU HA H 1 4.70 0.02 . 1 . . . . . . . . 4453 1 373 . 1 1 34 34 GLU CB C 13 31.4 0.05 . 1 . . . . . . . . 4453 1 374 . 1 1 34 34 GLU HB2 H 1 2.18 0.02 . 2 . . . . . . . . 4453 1 375 . 1 1 34 34 GLU HB3 H 1 1.55 0.02 . 2 . . . . . . . . 4453 1 376 . 1 1 34 34 GLU CG C 13 34.3 0.05 . 1 . . . . . . . . 4453 1 377 . 1 1 34 34 GLU HG2 H 1 2.71 0.02 . 2 . . . . . . . . 4453 1 378 . 1 1 34 34 GLU HG3 H 1 2.27 0.02 . 2 . . . . . . . . 4453 1 379 . 1 1 34 34 GLU C C 13 176.8 0.05 . 1 . . . . . . . . 4453 1 380 . 1 1 35 35 LEU N N 15 116.9 0.05 . 1 . . . . . . . . 4453 1 381 . 1 1 35 35 LEU H H 1 7.81 0.02 . 1 . . . . . . . . 4453 1 382 . 1 1 35 35 LEU CA C 13 51.8 0.05 . 1 . . . . . . . . 4453 1 383 . 1 1 35 35 LEU HA H 1 4.91 0.02 . 1 . . . . . . . . 4453 1 384 . 1 1 35 35 LEU CB C 13 42.8 0.05 . 1 . . . . . . . . 4453 1 385 . 1 1 35 35 LEU HB2 H 1 1.89 0.02 . 2 . . . . . . . . 4453 1 386 . 1 1 35 35 LEU HB3 H 1 1.29 0.02 . 2 . . . . . . . . 4453 1 387 . 1 1 35 35 LEU CG C 13 27.5 0.05 . 1 . . . . . . . . 4453 1 388 . 1 1 35 35 LEU HG H 1 1.69 0.02 . 1 . . . . . . . . 4453 1 389 . 1 1 35 35 LEU HD11 H 1 0.81 0.02 . 2 . . . . . . . . 4453 1 390 . 1 1 35 35 LEU HD12 H 1 0.81 0.02 . 2 . . . . . . . . 4453 1 391 . 1 1 35 35 LEU HD13 H 1 0.81 0.02 . 2 . . . . . . . . 4453 1 392 . 1 1 35 35 LEU HD21 H 1 0.79 0.02 . 2 . . . . . . . . 4453 1 393 . 1 1 35 35 LEU HD22 H 1 0.79 0.02 . 2 . . . . . . . . 4453 1 394 . 1 1 35 35 LEU HD23 H 1 0.79 0.02 . 2 . . . . . . . . 4453 1 395 . 1 1 35 35 LEU CD1 C 13 27.3 0.05 . 1 . . . . . . . . 4453 1 396 . 1 1 35 35 LEU CD2 C 13 24.2 0.05 . 1 . . . . . . . . 4453 1 397 . 1 1 37 37 PRO CA C 13 66.3 0.05 . 1 . . . . . . . . 4453 1 398 . 1 1 37 37 PRO HA H 1 4.23 0.02 . 1 . . . . . . . . 4453 1 399 . 1 1 37 37 PRO CB C 13 32.2 0.05 . 1 . . . . . . . . 4453 1 400 . 1 1 37 37 PRO C C 13 178.9 0.05 . 1 . . . . . . . . 4453 1 401 . 1 1 38 38 ASP N N 15 117.3 0.05 . 1 . . . . . . . . 4453 1 402 . 1 1 38 38 ASP H H 1 8.86 0.02 . 1 . . . . . . . . 4453 1 403 . 1 1 38 38 ASP CA C 13 57.9 0.05 . 1 . . . . . . . . 4453 1 404 . 1 1 38 38 ASP HA H 1 4.34 0.02 . 1 . . . . . . . . 4453 1 405 . 1 1 38 38 ASP CB C 13 39.9 0.05 . 1 . . . . . . . . 4453 1 406 . 1 1 38 38 ASP HB2 H 1 2.50 0.02 . 2 . . . . . . . . 4453 1 407 . 1 1 38 38 ASP HB3 H 1 2.44 0.02 . 2 . . . . . . . . 4453 1 408 . 1 1 38 38 ASP C C 13 179.1 0.05 . 1 . . . . . . . . 4453 1 409 . 1 1 39 39 GLN N N 15 119.5 0.05 . 1 . . . . . . . . 4453 1 410 . 1 1 39 39 GLN H H 1 8.16 0.02 . 1 . . . . . . . . 4453 1 411 . 1 1 39 39 GLN CA C 13 61.2 0.05 . 1 . . . . . . . . 4453 1 412 . 1 1 39 39 GLN HA H 1 3.98 0.02 . 1 . . . . . . . . 4453 1 413 . 1 1 39 39 GLN CB C 13 26.5 0.05 . 1 . . . . . . . . 4453 1 414 . 1 1 39 39 GLN HB2 H 1 2.26 0.02 . 2 . . . . . . . . 4453 1 415 . 1 1 39 39 GLN HB3 H 1 1.67 0.02 . 2 . . . . . . . . 4453 1 416 . 1 1 39 39 GLN CG C 13 35.5 0.05 . 1 . . . . . . . . 4453 1 417 . 1 1 39 39 GLN HG2 H 1 2.57 0.02 . 1 . . . . . . . . 4453 1 418 . 1 1 39 39 GLN HG3 H 1 2.57 0.02 . 1 . . . . . . . . 4453 1 419 . 1 1 39 39 GLN NE2 N 15 114.3 0.05 . 1 . . . . . . . . 4453 1 420 . 1 1 39 39 GLN HE21 H 1 9.13 0.02 . 2 . . . . . . . . 4453 1 421 . 1 1 39 39 GLN HE22 H 1 6.71 0.02 . 2 . . . . . . . . 4453 1 422 . 1 1 39 39 GLN C C 13 178.1 0.05 . 1 . . . . . . . . 4453 1 423 . 1 1 40 40 ALA N N 15 122.8 0.05 . 1 . . . . . . . . 4453 1 424 . 1 1 40 40 ALA H H 1 8.89 0.02 . 1 . . . . . . . . 4453 1 425 . 1 1 40 40 ALA CA C 13 56.6 0.05 . 1 . . . . . . . . 4453 1 426 . 1 1 40 40 ALA HA H 1 3.77 0.02 . 1 . . . . . . . . 4453 1 427 . 1 1 40 40 ALA HB1 H 1 1.29 0.02 . 1 . . . . . . . . 4453 1 428 . 1 1 40 40 ALA HB2 H 1 1.29 0.02 . 1 . . . . . . . . 4453 1 429 . 1 1 40 40 ALA HB3 H 1 1.29 0.02 . 1 . . . . . . . . 4453 1 430 . 1 1 40 40 ALA CB C 13 18.4 0.05 . 1 . . . . . . . . 4453 1 431 . 1 1 40 40 ALA C C 13 179.1 0.05 . 1 . . . . . . . . 4453 1 432 . 1 1 41 41 GLN N N 15 115.2 0.05 . 1 . . . . . . . . 4453 1 433 . 1 1 41 41 GLN H H 1 8.33 0.02 . 1 . . . . . . . . 4453 1 434 . 1 1 41 41 GLN CA C 13 58.7 0.05 . 1 . . . . . . . . 4453 1 435 . 1 1 41 41 GLN HA H 1 3.92 0.02 . 1 . . . . . . . . 4453 1 436 . 1 1 41 41 GLN CB C 13 28.0 0.05 . 1 . . . . . . . . 4453 1 437 . 1 1 41 41 GLN HB2 H 1 2.21 0.02 . 2 . . . . . . . . 4453 1 438 . 1 1 41 41 GLN HB3 H 1 2.11 0.02 . 2 . . . . . . . . 4453 1 439 . 1 1 41 41 GLN CG C 13 33.7 0.05 . 1 . . . . . . . . 4453 1 440 . 1 1 41 41 GLN HG2 H 1 2.47 0.02 . 1 . . . . . . . . 4453 1 441 . 1 1 41 41 GLN HG3 H 1 2.47 0.02 . 1 . . . . . . . . 4453 1 442 . 1 1 41 41 GLN NE2 N 15 111.3 0.05 . 1 . . . . . . . . 4453 1 443 . 1 1 41 41 GLN HE21 H 1 7.38 0.02 . 2 . . . . . . . . 4453 1 444 . 1 1 41 41 GLN HE22 H 1 6.86 0.02 . 2 . . . . . . . . 4453 1 445 . 1 1 41 41 GLN C C 13 177.8 0.05 . 1 . . . . . . . . 4453 1 446 . 1 1 42 42 TYR N N 15 119.7 0.05 . 1 . . . . . . . . 4453 1 447 . 1 1 42 42 TYR H H 1 7.56 0.02 . 1 . . . . . . . . 4453 1 448 . 1 1 42 42 TYR CA C 13 62.1 0.05 . 1 . . . . . . . . 4453 1 449 . 1 1 42 42 TYR HA H 1 4.01 0.02 . 1 . . . . . . . . 4453 1 450 . 1 1 42 42 TYR CB C 13 38.7 0.05 . 1 . . . . . . . . 4453 1 451 . 1 1 42 42 TYR HB2 H 1 3.12 0.02 . 2 . . . . . . . . 4453 1 452 . 1 1 42 42 TYR HB3 H 1 3.02 0.02 . 2 . . . . . . . . 4453 1 453 . 1 1 42 42 TYR CD1 C 13 133.4 0.05 . 1 . . . . . . . . 4453 1 454 . 1 1 42 42 TYR HD1 H 1 7.17 0.02 . 1 . . . . . . . . 4453 1 455 . 1 1 42 42 TYR CE1 C 13 117.6 0.05 . 1 . . . . . . . . 4453 1 456 . 1 1 42 42 TYR HE1 H 1 6.82 0.02 . 1 . . . . . . . . 4453 1 457 . 1 1 42 42 TYR CE2 C 13 117.6 0.05 . 1 . . . . . . . . 4453 1 458 . 1 1 42 42 TYR HE2 H 1 6.82 0.02 . 1 . . . . . . . . 4453 1 459 . 1 1 42 42 TYR CD2 C 13 133.4 0.05 . 1 . . . . . . . . 4453 1 460 . 1 1 42 42 TYR HD2 H 1 7.17 0.02 . 1 . . . . . . . . 4453 1 461 . 1 1 42 42 TYR C C 13 177.1 0.05 . 1 . . . . . . . . 4453 1 462 . 1 1 43 43 CYS N N 15 114.5 0.05 . 1 . . . . . . . . 4453 1 463 . 1 1 43 43 CYS H H 1 7.70 0.02 . 1 . . . . . . . . 4453 1 464 . 1 1 43 43 CYS CA C 13 64.0 0.05 . 1 . . . . . . . . 4453 1 465 . 1 1 43 43 CYS HA H 1 3.55 0.02 . 1 . . . . . . . . 4453 1 466 . 1 1 43 43 CYS CB C 13 27.9 0.05 . 1 . . . . . . . . 4453 1 467 . 1 1 43 43 CYS HB2 H 1 3.15 0.02 . 2 . . . . . . . . 4453 1 468 . 1 1 43 43 CYS HB3 H 1 2.35 0.02 . 2 . . . . . . . . 4453 1 469 . 1 1 43 43 CYS C C 13 175.8 0.05 . 1 . . . . . . . . 4453 1 470 . 1 1 44 44 ILE N N 15 119.6 0.05 . 1 . . . . . . . . 4453 1 471 . 1 1 44 44 ILE H H 1 8.29 0.02 . 1 . . . . . . . . 4453 1 472 . 1 1 44 44 ILE CA C 13 65.6 0.05 . 1 . . . . . . . . 4453 1 473 . 1 1 44 44 ILE HA H 1 3.25 0.02 . 1 . . . . . . . . 4453 1 474 . 1 1 44 44 ILE CB C 13 38.4 0.05 . 1 . . . . . . . . 4453 1 475 . 1 1 44 44 ILE HB H 1 1.65 0.02 . 1 . . . . . . . . 4453 1 476 . 1 1 44 44 ILE HG21 H 1 0.81 0.02 . 1 . . . . . . . . 4453 1 477 . 1 1 44 44 ILE HG22 H 1 0.81 0.02 . 1 . . . . . . . . 4453 1 478 . 1 1 44 44 ILE HG23 H 1 0.81 0.02 . 1 . . . . . . . . 4453 1 479 . 1 1 44 44 ILE CG2 C 13 17.2 0.05 . 1 . . . . . . . . 4453 1 480 . 1 1 44 44 ILE CG1 C 13 31.7 0.05 . 1 . . . . . . . . 4453 1 481 . 1 1 44 44 ILE HG12 H 1 1.79 0.02 . 2 . . . . . . . . 4453 1 482 . 1 1 44 44 ILE HG13 H 1 0.65 0.02 . 2 . . . . . . . . 4453 1 483 . 1 1 44 44 ILE HD11 H 1 0.78 0.02 . 1 . . . . . . . . 4453 1 484 . 1 1 44 44 ILE HD12 H 1 0.78 0.02 . 1 . . . . . . . . 4453 1 485 . 1 1 44 44 ILE HD13 H 1 0.78 0.02 . 1 . . . . . . . . 4453 1 486 . 1 1 44 44 ILE CD1 C 13 14.1 0.05 . 1 . . . . . . . . 4453 1 487 . 1 1 44 44 ILE C C 13 177.0 0.05 . 1 . . . . . . . . 4453 1 488 . 1 1 45 45 LYS N N 15 115.8 0.05 . 1 . . . . . . . . 4453 1 489 . 1 1 45 45 LYS H H 1 7.57 0.02 . 1 . . . . . . . . 4453 1 490 . 1 1 45 45 LYS CA C 13 58.0 0.05 . 1 . . . . . . . . 4453 1 491 . 1 1 45 45 LYS HA H 1 4.05 0.02 . 1 . . . . . . . . 4453 1 492 . 1 1 45 45 LYS CB C 13 32.9 0.05 . 1 . . . . . . . . 4453 1 493 . 1 1 45 45 LYS HB2 H 1 1.78 0.02 . 2 . . . . . . . . 4453 1 494 . 1 1 45 45 LYS HB3 H 1 1.73 0.02 . 2 . . . . . . . . 4453 1 495 . 1 1 45 45 LYS CG C 13 25.2 0.05 . 1 . . . . . . . . 4453 1 496 . 1 1 45 45 LYS HG2 H 1 1.44 0.02 . 2 . . . . . . . . 4453 1 497 . 1 1 45 45 LYS HG3 H 1 1.37 0.02 . 2 . . . . . . . . 4453 1 498 . 1 1 45 45 LYS CD C 13 29.1 0.05 . 1 . . . . . . . . 4453 1 499 . 1 1 45 45 LYS HD2 H 1 1.61 0.02 . 1 . . . . . . . . 4453 1 500 . 1 1 45 45 LYS HD3 H 1 1.61 0.02 . 1 . . . . . . . . 4453 1 501 . 1 1 45 45 LYS CE C 13 42.0 0.05 . 1 . . . . . . . . 4453 1 502 . 1 1 45 45 LYS HE2 H 1 2.89 0.02 . 1 . . . . . . . . 4453 1 503 . 1 1 45 45 LYS HE3 H 1 2.89 0.02 . 1 . . . . . . . . 4453 1 504 . 1 1 45 45 LYS C C 13 178.1 0.05 . 1 . . . . . . . . 4453 1 505 . 1 1 46 46 ARG N N 15 114.6 0.05 . 1 . . . . . . . . 4453 1 506 . 1 1 46 46 ARG H H 1 7.19 0.02 . 1 . . . . . . . . 4453 1 507 . 1 1 46 46 ARG CA C 13 55.8 0.05 . 1 . . . . . . . . 4453 1 508 . 1 1 46 46 ARG HA H 1 4.32 0.02 . 1 . . . . . . . . 4453 1 509 . 1 1 46 46 ARG CB C 13 32.3 0.05 . 1 . . . . . . . . 4453 1 510 . 1 1 46 46 ARG HB2 H 1 1.88 0.02 . 2 . . . . . . . . 4453 1 511 . 1 1 46 46 ARG HB3 H 1 1.37 0.02 . 2 . . . . . . . . 4453 1 512 . 1 1 46 46 ARG CG C 13 27.0 0.05 . 1 . . . . . . . . 4453 1 513 . 1 1 46 46 ARG HG2 H 1 1.22 0.02 . 2 . . . . . . . . 4453 1 514 . 1 1 46 46 ARG HG3 H 1 1.08 0.02 . 2 . . . . . . . . 4453 1 515 . 1 1 46 46 ARG CD C 13 42.2 0.05 . 1 . . . . . . . . 4453 1 516 . 1 1 46 46 ARG HD2 H 1 2.88 0.02 . 2 . . . . . . . . 4453 1 517 . 1 1 46 46 ARG HD3 H 1 2.62 0.02 . 2 . . . . . . . . 4453 1 518 . 1 1 46 46 ARG C C 13 177.0 0.05 . 1 . . . . . . . . 4453 1 519 . 1 1 47 47 MET N N 15 122.1 0.05 . 1 . . . . . . . . 4453 1 520 . 1 1 47 47 MET H H 1 8.00 0.02 . 1 . . . . . . . . 4453 1 521 . 1 1 47 47 MET CA C 13 56.0 0.05 . 1 . . . . . . . . 4453 1 522 . 1 1 47 47 MET HA H 1 4.21 0.02 . 1 . . . . . . . . 4453 1 523 . 1 1 47 47 MET CB C 13 34.3 0.05 . 1 . . . . . . . . 4453 1 524 . 1 1 47 47 MET HB2 H 1 2.13 0.02 . 2 . . . . . . . . 4453 1 525 . 1 1 47 47 MET HB3 H 1 1.69 0.02 . 2 . . . . . . . . 4453 1 526 . 1 1 47 47 MET CG C 13 32.7 0.05 . 1 . . . . . . . . 4453 1 527 . 1 1 47 47 MET HG2 H 1 1.71 0.02 . 2 . . . . . . . . 4453 1 528 . 1 1 47 47 MET HG3 H 1 1.56 0.02 . 2 . . . . . . . . 4453 1 529 . 1 1 48 48 PRO CD C 13 50.2 0.05 . 1 . . . . . . . . 4453 1 530 . 1 1 48 48 PRO CA C 13 61.5 0.05 . 1 . . . . . . . . 4453 1 531 . 1 1 48 48 PRO HA H 1 4.59 0.02 . 1 . . . . . . . . 4453 1 532 . 1 1 48 48 PRO CB C 13 32.2 0.05 . 1 . . . . . . . . 4453 1 533 . 1 1 48 48 PRO HB2 H 1 2.35 0.02 . 2 . . . . . . . . 4453 1 534 . 1 1 48 48 PRO HB3 H 1 2.00 0.02 . 2 . . . . . . . . 4453 1 535 . 1 1 48 48 PRO CG C 13 27.5 0.05 . 1 . . . . . . . . 4453 1 536 . 1 1 48 48 PRO HG2 H 1 2.13 0.02 . 2 . . . . . . . . 4453 1 537 . 1 1 48 48 PRO HG3 H 1 2.02 0.02 . 2 . . . . . . . . 4453 1 538 . 1 1 48 48 PRO HD2 H 1 4.10 0.02 . 2 . . . . . . . . 4453 1 539 . 1 1 48 48 PRO HD3 H 1 3.80 0.02 . 2 . . . . . . . . 4453 1 540 . 1 1 48 48 PRO C C 13 175.2 0.05 . 1 . . . . . . . . 4453 1 541 . 1 1 49 49 ALA N N 15 122.0 0.05 . 1 . . . . . . . . 4453 1 542 . 1 1 49 49 ALA H H 1 8.47 0.02 . 1 . . . . . . . . 4453 1 543 . 1 1 49 49 ALA CA C 13 52.6 0.05 . 1 . . . . . . . . 4453 1 544 . 1 1 49 49 ALA HA H 1 4.38 0.02 . 1 . . . . . . . . 4453 1 545 . 1 1 49 49 ALA HB1 H 1 1.33 0.02 . 1 . . . . . . . . 4453 1 546 . 1 1 49 49 ALA HB2 H 1 1.33 0.02 . 1 . . . . . . . . 4453 1 547 . 1 1 49 49 ALA HB3 H 1 1.33 0.02 . 1 . . . . . . . . 4453 1 548 . 1 1 49 49 ALA CB C 13 18.8 0.05 . 1 . . . . . . . . 4453 1 549 . 1 1 49 49 ALA C C 13 178.0 0.05 . 1 . . . . . . . . 4453 1 550 . 1 1 50 50 TYR N N 15 122.3 0.05 . 1 . . . . . . . . 4453 1 551 . 1 1 50 50 TYR H H 1 8.30 0.02 . 1 . . . . . . . . 4453 1 552 . 1 1 50 50 TYR CA C 13 57.4 0.05 . 1 . . . . . . . . 4453 1 553 . 1 1 50 50 TYR HA H 1 4.62 0.02 . 1 . . . . . . . . 4453 1 554 . 1 1 50 50 TYR CB C 13 41.0 0.05 . 1 . . . . . . . . 4453 1 555 . 1 1 50 50 TYR HB2 H 1 2.73 0.02 . 2 . . . . . . . . 4453 1 556 . 1 1 50 50 TYR HB3 H 1 2.64 0.02 . 2 . . . . . . . . 4453 1 557 . 1 1 50 50 TYR CD1 C 13 133.1 0.05 . 1 . . . . . . . . 4453 1 558 . 1 1 50 50 TYR HD1 H 1 7.10 0.02 . 1 . . . . . . . . 4453 1 559 . 1 1 50 50 TYR CE1 C 13 118.1 0.05 . 1 . . . . . . . . 4453 1 560 . 1 1 50 50 TYR HE1 H 1 6.78 0.02 . 1 . . . . . . . . 4453 1 561 . 1 1 50 50 TYR CE2 C 13 118.1 0.05 . 1 . . . . . . . . 4453 1 562 . 1 1 50 50 TYR HE2 H 1 6.78 0.02 . 1 . . . . . . . . 4453 1 563 . 1 1 50 50 TYR CD2 C 13 133.1 0.05 . 1 . . . . . . . . 4453 1 564 . 1 1 50 50 TYR HD2 H 1 7.10 0.02 . 1 . . . . . . . . 4453 1 565 . 1 1 51 51 SER CA C 13 56.6 0.05 . 1 . . . . . . . . 4453 1 566 . 1 1 51 51 SER HA H 1 4.45 0.02 . 1 . . . . . . . . 4453 1 567 . 1 1 51 51 SER CB C 13 64.1 0.05 . 1 . . . . . . . . 4453 1 568 . 1 1 51 51 SER HB2 H 1 3.77 0.02 . 2 . . . . . . . . 4453 1 569 . 1 1 51 51 SER HB3 H 1 3.58 0.02 . 2 . . . . . . . . 4453 1 570 . 1 1 51 51 SER C C 13 173.4 0.05 . 1 . . . . . . . . 4453 1 571 . 1 1 52 52 GLY N N 15 106.9 0.05 . 1 . . . . . . . . 4453 1 572 . 1 1 52 52 GLY H H 1 5.15 0.02 . 1 . . . . . . . . 4453 1 573 . 1 1 52 52 GLY CA C 13 44.7 0.05 . 1 . . . . . . . . 4453 1 574 . 1 1 52 52 GLY HA2 H 1 4.03 0.02 . 2 . . . . . . . . 4453 1 575 . 1 1 52 52 GLY HA3 H 1 3.50 0.02 . 2 . . . . . . . . 4453 1 576 . 1 1 54 54 GLY CA C 13 45.7 0.05 . 1 . . . . . . . . 4453 1 577 . 1 1 54 54 GLY HA2 H 1 4.21 0.02 . 2 . . . . . . . . 4453 1 578 . 1 1 54 54 GLY HA3 H 1 3.86 0.02 . 2 . . . . . . . . 4453 1 579 . 1 1 54 54 GLY C C 13 174.0 0.05 . 1 . . . . . . . . 4453 1 580 . 1 1 55 55 SER N N 15 111.7 0.05 . 1 . . . . . . . . 4453 1 581 . 1 1 55 55 SER H H 1 7.59 0.02 . 1 . . . . . . . . 4453 1 582 . 1 1 55 55 SER CA C 13 59.8 0.05 . 1 . . . . . . . . 4453 1 583 . 1 1 55 55 SER HA H 1 3.52 0.02 . 1 . . . . . . . . 4453 1 584 . 1 1 55 55 SER CB C 13 62.8 0.05 . 1 . . . . . . . . 4453 1 585 . 1 1 55 55 SER HB2 H 1 3.83 0.02 . 2 . . . . . . . . 4453 1 586 . 1 1 55 55 SER HB3 H 1 3.73 0.02 . 2 . . . . . . . . 4453 1 587 . 1 1 55 55 SER C C 13 173.3 0.05 . 1 . . . . . . . . 4453 1 588 . 1 1 56 56 VAL N N 15 114.3 0.05 . 1 . . . . . . . . 4453 1 589 . 1 1 56 56 VAL H H 1 6.25 0.02 . 1 . . . . . . . . 4453 1 590 . 1 1 56 56 VAL CA C 13 57.8 0.05 . 1 . . . . . . . . 4453 1 591 . 1 1 56 56 VAL HA H 1 4.73 0.02 . 1 . . . . . . . . 4453 1 592 . 1 1 56 56 VAL CB C 13 33.2 0.05 . 1 . . . . . . . . 4453 1 593 . 1 1 56 56 VAL HB H 1 2.20 0.02 . 1 . . . . . . . . 4453 1 594 . 1 1 56 56 VAL HG11 H 1 0.95 0.02 . 2 . . . . . . . . 4453 1 595 . 1 1 56 56 VAL HG12 H 1 0.95 0.02 . 2 . . . . . . . . 4453 1 596 . 1 1 56 56 VAL HG13 H 1 0.95 0.02 . 2 . . . . . . . . 4453 1 597 . 1 1 56 56 VAL HG21 H 1 0.52 0.02 . 2 . . . . . . . . 4453 1 598 . 1 1 56 56 VAL HG22 H 1 0.52 0.02 . 2 . . . . . . . . 4453 1 599 . 1 1 56 56 VAL HG23 H 1 0.52 0.02 . 2 . . . . . . . . 4453 1 600 . 1 1 56 56 VAL CG1 C 13 21.9 0.05 . 1 . . . . . . . . 4453 1 601 . 1 1 56 56 VAL CG2 C 13 18.0 0.05 . 1 . . . . . . . . 4453 1 602 . 1 1 57 57 PRO CD C 13 50.5 0.05 . 1 . . . . . . . . 4453 1 603 . 1 1 57 57 PRO CA C 13 64.3 0.05 . 1 . . . . . . . . 4453 1 604 . 1 1 57 57 PRO HA H 1 4.28 0.02 . 1 . . . . . . . . 4453 1 605 . 1 1 57 57 PRO CB C 13 31.9 0.05 . 1 . . . . . . . . 4453 1 606 . 1 1 57 57 PRO HB2 H 1 2.28 0.02 . 2 . . . . . . . . 4453 1 607 . 1 1 57 57 PRO HB3 H 1 1.90 0.02 . 2 . . . . . . . . 4453 1 608 . 1 1 57 57 PRO HG2 H 1 2.11 0.02 . 2 . . . . . . . . 4453 1 609 . 1 1 57 57 PRO HG3 H 1 1.82 0.02 . 2 . . . . . . . . 4453 1 610 . 1 1 57 57 PRO HD2 H 1 3.75 0.02 . 2 . . . . . . . . 4453 1 611 . 1 1 57 57 PRO HD3 H 1 3.57 0.02 . 2 . . . . . . . . 4453 1 612 . 1 1 57 57 PRO C C 13 177.5 0.05 . 1 . . . . . . . . 4453 1 613 . 1 1 58 58 GLY N N 15 112.2 0.05 . 1 . . . . . . . . 4453 1 614 . 1 1 58 58 GLY H H 1 8.57 0.02 . 1 . . . . . . . . 4453 1 615 . 1 1 58 58 GLY CA C 13 44.8 0.05 . 1 . . . . . . . . 4453 1 616 . 1 1 58 58 GLY HA2 H 1 4.21 0.02 . 2 . . . . . . . . 4453 1 617 . 1 1 58 58 GLY HA3 H 1 3.66 0.02 . 2 . . . . . . . . 4453 1 618 . 1 1 58 58 GLY C C 13 174.3 0.05 . 1 . . . . . . . . 4453 1 619 . 1 1 59 59 ALA N N 15 121.7 0.05 . 1 . . . . . . . . 4453 1 620 . 1 1 59 59 ALA H H 1 7.78 0.02 . 1 . . . . . . . . 4453 1 621 . 1 1 59 59 ALA CA C 13 53.6 0.05 . 1 . . . . . . . . 4453 1 622 . 1 1 59 59 ALA HA H 1 3.91 0.02 . 1 . . . . . . . . 4453 1 623 . 1 1 59 59 ALA HB1 H 1 1.01 0.02 . 1 . . . . . . . . 4453 1 624 . 1 1 59 59 ALA HB2 H 1 1.01 0.02 . 1 . . . . . . . . 4453 1 625 . 1 1 59 59 ALA HB3 H 1 1.01 0.02 . 1 . . . . . . . . 4453 1 626 . 1 1 59 59 ALA CB C 13 20.2 0.05 . 1 . . . . . . . . 4453 1 627 . 1 1 59 59 ALA C C 13 177.5 0.05 . 1 . . . . . . . . 4453 1 628 . 1 1 60 60 LEU N N 15 126.3 0.05 . 1 . . . . . . . . 4453 1 629 . 1 1 60 60 LEU H H 1 9.34 0.02 . 1 . . . . . . . . 4453 1 630 . 1 1 60 60 LEU CA C 13 54.5 0.05 . 1 . . . . . . . . 4453 1 631 . 1 1 60 60 LEU HA H 1 4.87 0.02 . 1 . . . . . . . . 4453 1 632 . 1 1 60 60 LEU CB C 13 43.8 0.05 . 1 . . . . . . . . 4453 1 633 . 1 1 60 60 LEU HB2 H 1 1.99 0.02 . 2 . . . . . . . . 4453 1 634 . 1 1 60 60 LEU HB3 H 1 1.05 0.02 . 2 . . . . . . . . 4453 1 635 . 1 1 60 60 LEU CG C 13 26.0 0.05 . 1 . . . . . . . . 4453 1 636 . 1 1 60 60 LEU HG H 1 2.07 0.02 . 1 . . . . . . . . 4453 1 637 . 1 1 60 60 LEU HD11 H 1 0.70 0.02 . 2 . . . . . . . . 4453 1 638 . 1 1 60 60 LEU HD12 H 1 0.70 0.02 . 2 . . . . . . . . 4453 1 639 . 1 1 60 60 LEU HD13 H 1 0.70 0.02 . 2 . . . . . . . . 4453 1 640 . 1 1 60 60 LEU HD21 H 1 0.63 0.02 . 2 . . . . . . . . 4453 1 641 . 1 1 60 60 LEU HD22 H 1 0.63 0.02 . 2 . . . . . . . . 4453 1 642 . 1 1 60 60 LEU HD23 H 1 0.63 0.02 . 2 . . . . . . . . 4453 1 643 . 1 1 60 60 LEU CD1 C 13 26.0 0.05 . 1 . . . . . . . . 4453 1 644 . 1 1 60 60 LEU CD2 C 13 22.4 0.05 . 1 . . . . . . . . 4453 1 645 . 1 1 60 60 LEU C C 13 176.3 0.05 . 1 . . . . . . . . 4453 1 646 . 1 1 61 61 ASP N N 15 121.7 0.05 . 1 . . . . . . . . 4453 1 647 . 1 1 61 61 ASP H H 1 9.06 0.02 . 1 . . . . . . . . 4453 1 648 . 1 1 61 61 ASP CA C 13 52.1 0.05 . 1 . . . . . . . . 4453 1 649 . 1 1 61 61 ASP HA H 1 4.74 0.02 . 1 . . . . . . . . 4453 1 650 . 1 1 61 61 ASP CB C 13 41.2 0.05 . 1 . . . . . . . . 4453 1 651 . 1 1 61 61 ASP HB2 H 1 3.20 0.02 . 2 . . . . . . . . 4453 1 652 . 1 1 61 61 ASP HB3 H 1 2.11 0.02 . 2 . . . . . . . . 4453 1 653 . 1 1 61 61 ASP C C 13 175.0 0.05 . 1 . . . . . . . . 4453 1 654 . 1 1 62 62 TYR N N 15 122.8 0.05 . 1 . . . . . . . . 4453 1 655 . 1 1 62 62 TYR H H 1 7.10 0.02 . 1 . . . . . . . . 4453 1 656 . 1 1 62 62 TYR CA C 13 58.4 0.05 . 1 . . . . . . . . 4453 1 657 . 1 1 62 62 TYR HA H 1 4.09 0.02 . 1 . . . . . . . . 4453 1 658 . 1 1 62 62 TYR CB C 13 36.9 0.05 . 1 . . . . . . . . 4453 1 659 . 1 1 62 62 TYR HB2 H 1 2.21 0.02 . 2 . . . . . . . . 4453 1 660 . 1 1 62 62 TYR HB3 H 1 2.00 0.02 . 2 . . . . . . . . 4453 1 661 . 1 1 62 62 TYR CD1 C 13 133.0 0.05 . 1 . . . . . . . . 4453 1 662 . 1 1 62 62 TYR HD1 H 1 6.66 0.02 . 1 . . . . . . . . 4453 1 663 . 1 1 62 62 TYR CE1 C 13 118.5 0.05 . 1 . . . . . . . . 4453 1 664 . 1 1 62 62 TYR HE1 H 1 6.62 0.02 . 1 . . . . . . . . 4453 1 665 . 1 1 62 62 TYR CE2 C 13 118.5 0.05 . 1 . . . . . . . . 4453 1 666 . 1 1 62 62 TYR HE2 H 1 6.62 0.02 . 1 . . . . . . . . 4453 1 667 . 1 1 62 62 TYR CD2 C 13 133.0 0.05 . 1 . . . . . . . . 4453 1 668 . 1 1 62 62 TYR HD2 H 1 6.66 0.02 . 1 . . . . . . . . 4453 1 669 . 1 1 62 62 TYR C C 13 178.0 0.05 . 1 . . . . . . . . 4453 1 670 . 1 1 63 63 ALA N N 15 133.5 0.05 . 1 . . . . . . . . 4453 1 671 . 1 1 63 63 ALA H H 1 8.46 0.02 . 1 . . . . . . . . 4453 1 672 . 1 1 63 63 ALA CA C 13 55.9 0.05 . 1 . . . . . . . . 4453 1 673 . 1 1 63 63 ALA HA H 1 4.22 0.02 . 1 . . . . . . . . 4453 1 674 . 1 1 63 63 ALA HB1 H 1 1.44 0.02 . 1 . . . . . . . . 4453 1 675 . 1 1 63 63 ALA HB2 H 1 1.44 0.02 . 1 . . . . . . . . 4453 1 676 . 1 1 63 63 ALA HB3 H 1 1.44 0.02 . 1 . . . . . . . . 4453 1 677 . 1 1 63 63 ALA CB C 13 17.3 0.05 . 1 . . . . . . . . 4453 1 678 . 1 1 63 63 ALA C C 13 179.2 0.05 . 1 . . . . . . . . 4453 1 679 . 1 1 64 64 ALA N N 15 122.8 0.05 . 1 . . . . . . . . 4453 1 680 . 1 1 64 64 ALA H H 1 7.83 0.02 . 1 . . . . . . . . 4453 1 681 . 1 1 64 64 ALA CA C 13 54.5 0.05 . 1 . . . . . . . . 4453 1 682 . 1 1 64 64 ALA HA H 1 4.09 0.02 . 1 . . . . . . . . 4453 1 683 . 1 1 64 64 ALA HB1 H 1 1.35 0.02 . 1 . . . . . . . . 4453 1 684 . 1 1 64 64 ALA HB2 H 1 1.35 0.02 . 1 . . . . . . . . 4453 1 685 . 1 1 64 64 ALA HB3 H 1 1.35 0.02 . 1 . . . . . . . . 4453 1 686 . 1 1 64 64 ALA CB C 13 18.7 0.05 . 1 . . . . . . . . 4453 1 687 . 1 1 64 64 ALA C C 13 181.1 0.05 . 1 . . . . . . . . 4453 1 688 . 1 1 65 65 PHE N N 15 116.8 0.05 . 1 . . . . . . . . 4453 1 689 . 1 1 65 65 PHE H H 1 7.38 0.02 . 1 . . . . . . . . 4453 1 690 . 1 1 65 65 PHE CA C 13 59.8 0.05 . 1 . . . . . . . . 4453 1 691 . 1 1 65 65 PHE HA H 1 4.41 0.02 . 1 . . . . . . . . 4453 1 692 . 1 1 65 65 PHE CB C 13 41.5 0.05 . 1 . . . . . . . . 4453 1 693 . 1 1 65 65 PHE HB2 H 1 3.21 0.02 . 2 . . . . . . . . 4453 1 694 . 1 1 65 65 PHE HB3 H 1 3.00 0.02 . 2 . . . . . . . . 4453 1 695 . 1 1 65 65 PHE CD1 C 13 132.5 0.05 . 1 . . . . . . . . 4453 1 696 . 1 1 65 65 PHE HD1 H 1 7.13 0.02 . 1 . . . . . . . . 4453 1 697 . 1 1 65 65 PHE CE1 C 13 129.9 0.05 . 1 . . . . . . . . 4453 1 698 . 1 1 65 65 PHE HE1 H 1 7.42 0.02 . 1 . . . . . . . . 4453 1 699 . 1 1 65 65 PHE CZ C 13 130.9 0.05 . 1 . . . . . . . . 4453 1 700 . 1 1 65 65 PHE HZ H 1 7.31 0.02 . 1 . . . . . . . . 4453 1 701 . 1 1 65 65 PHE CE2 C 13 129.9 0.05 . 1 . . . . . . . . 4453 1 702 . 1 1 65 65 PHE HE2 H 1 7.42 0.02 . 1 . . . . . . . . 4453 1 703 . 1 1 65 65 PHE CD2 C 13 132.5 0.05 . 1 . . . . . . . . 4453 1 704 . 1 1 65 65 PHE HD2 H 1 7.13 0.02 . 1 . . . . . . . . 4453 1 705 . 1 1 65 65 PHE C C 13 176.1 0.05 . 1 . . . . . . . . 4453 1 706 . 1 1 66 66 SER N N 15 115.4 0.05 . 1 . . . . . . . . 4453 1 707 . 1 1 66 66 SER H H 1 8.13 0.02 . 1 . . . . . . . . 4453 1 708 . 1 1 66 66 SER CA C 13 63.2 0.05 . 1 . . . . . . . . 4453 1 709 . 1 1 66 66 SER HA H 1 4.01 0.02 . 1 . . . . . . . . 4453 1 710 . 1 1 66 66 SER CB C 13 64.2 0.05 . 1 . . . . . . . . 4453 1 711 . 1 1 66 66 SER HB2 H 1 3.82 0.02 . 1 . . . . . . . . 4453 1 712 . 1 1 66 66 SER HB3 H 1 3.82 0.02 . 1 . . . . . . . . 4453 1 713 . 1 1 66 66 SER C C 13 175.7 0.05 . 1 . . . . . . . . 4453 1 714 . 1 1 67 67 SER N N 15 115.2 0.05 . 1 . . . . . . . . 4453 1 715 . 1 1 67 67 SER H H 1 8.04 0.02 . 1 . . . . . . . . 4453 1 716 . 1 1 67 67 SER CA C 13 61.9 0.05 . 1 . . . . . . . . 4453 1 717 . 1 1 67 67 SER HA H 1 4.16 0.02 . 1 . . . . . . . . 4453 1 718 . 1 1 67 67 SER CB C 13 62.7 0.05 . 1 . . . . . . . . 4453 1 719 . 1 1 67 67 SER HB2 H 1 3.91 0.02 . 1 . . . . . . . . 4453 1 720 . 1 1 67 67 SER HB3 H 1 3.91 0.02 . 1 . . . . . . . . 4453 1 721 . 1 1 67 67 SER C C 13 176.4 0.05 . 1 . . . . . . . . 4453 1 722 . 1 1 68 68 ALA N N 15 123.0 0.05 . 1 . . . . . . . . 4453 1 723 . 1 1 68 68 ALA H H 1 7.46 0.02 . 1 . . . . . . . . 4453 1 724 . 1 1 68 68 ALA CA C 13 53.9 0.05 . 1 . . . . . . . . 4453 1 725 . 1 1 68 68 ALA HA H 1 4.26 0.02 . 1 . . . . . . . . 4453 1 726 . 1 1 68 68 ALA HB1 H 1 1.44 0.02 . 1 . . . . . . . . 4453 1 727 . 1 1 68 68 ALA HB2 H 1 1.44 0.02 . 1 . . . . . . . . 4453 1 728 . 1 1 68 68 ALA HB3 H 1 1.44 0.02 . 1 . . . . . . . . 4453 1 729 . 1 1 68 68 ALA CB C 13 18.0 0.05 . 1 . . . . . . . . 4453 1 730 . 1 1 68 68 ALA C C 13 179.6 0.05 . 1 . . . . . . . . 4453 1 731 . 1 1 69 69 LEU N N 15 118.7 0.05 . 1 . . . . . . . . 4453 1 732 . 1 1 69 69 LEU H H 1 7.43 0.02 . 1 . . . . . . . . 4453 1 733 . 1 1 69 69 LEU CA C 13 57.0 0.05 . 1 . . . . . . . . 4453 1 734 . 1 1 69 69 LEU HA H 1 3.81 0.02 . 1 . . . . . . . . 4453 1 735 . 1 1 69 69 LEU CB C 13 41.8 0.05 . 1 . . . . . . . . 4453 1 736 . 1 1 69 69 LEU HB2 H 1 1.57 0.02 . 2 . . . . . . . . 4453 1 737 . 1 1 69 69 LEU HB3 H 1 0.97 0.02 . 2 . . . . . . . . 4453 1 738 . 1 1 69 69 LEU CG C 13 25.7 0.05 . 1 . . . . . . . . 4453 1 739 . 1 1 69 69 LEU HG H 1 1.33 0.02 . 1 . . . . . . . . 4453 1 740 . 1 1 69 69 LEU HD11 H 1 0.65 0.02 . 2 . . . . . . . . 4453 1 741 . 1 1 69 69 LEU HD12 H 1 0.65 0.02 . 2 . . . . . . . . 4453 1 742 . 1 1 69 69 LEU HD13 H 1 0.65 0.02 . 2 . . . . . . . . 4453 1 743 . 1 1 69 69 LEU HD21 H 1 0.50 0.02 . 2 . . . . . . . . 4453 1 744 . 1 1 69 69 LEU HD22 H 1 0.50 0.02 . 2 . . . . . . . . 4453 1 745 . 1 1 69 69 LEU HD23 H 1 0.50 0.02 . 2 . . . . . . . . 4453 1 746 . 1 1 69 69 LEU CD1 C 13 25.2 0.05 . 1 . . . . . . . . 4453 1 747 . 1 1 69 69 LEU CD2 C 13 22.9 0.05 . 1 . . . . . . . . 4453 1 748 . 1 1 69 69 LEU C C 13 177.7 0.05 . 1 . . . . . . . . 4453 1 749 . 1 1 70 70 TYR N N 15 115.4 0.05 . 1 . . . . . . . . 4453 1 750 . 1 1 70 70 TYR H H 1 7.26 0.02 . 1 . . . . . . . . 4453 1 751 . 1 1 70 70 TYR CA C 13 58.5 0.05 . 1 . . . . . . . . 4453 1 752 . 1 1 70 70 TYR HA H 1 4.51 0.02 . 1 . . . . . . . . 4453 1 753 . 1 1 70 70 TYR CB C 13 39.3 0.05 . 1 . . . . . . . . 4453 1 754 . 1 1 70 70 TYR HB2 H 1 3.34 0.02 . 2 . . . . . . . . 4453 1 755 . 1 1 70 70 TYR HB3 H 1 2.65 0.02 . 2 . . . . . . . . 4453 1 756 . 1 1 70 70 TYR CD1 C 13 133.2 0.05 . 1 . . . . . . . . 4453 1 757 . 1 1 70 70 TYR HD1 H 1 7.22 0.02 . 1 . . . . . . . . 4453 1 758 . 1 1 70 70 TYR CE1 C 13 118.0 0.05 . 1 . . . . . . . . 4453 1 759 . 1 1 70 70 TYR HE1 H 1 6.65 0.02 . 1 . . . . . . . . 4453 1 760 . 1 1 70 70 TYR CE2 C 13 118.0 0.05 . 1 . . . . . . . . 4453 1 761 . 1 1 70 70 TYR HE2 H 1 6.65 0.02 . 1 . . . . . . . . 4453 1 762 . 1 1 70 70 TYR CD2 C 13 133.2 0.05 . 1 . . . . . . . . 4453 1 763 . 1 1 70 70 TYR HD2 H 1 7.24 0.02 . 1 . . . . . . . . 4453 1 764 . 1 1 70 70 TYR C C 13 176.0 0.05 . 1 . . . . . . . . 4453 1 765 . 1 1 71 71 GLY N N 15 108.6 0.05 . 1 . . . . . . . . 4453 1 766 . 1 1 71 71 GLY H H 1 7.78 0.02 . 1 . . . . . . . . 4453 1 767 . 1 1 71 71 GLY CA C 13 45.6 0.05 . 1 . . . . . . . . 4453 1 768 . 1 1 71 71 GLY HA2 H 1 4.08 0.02 . 2 . . . . . . . . 4453 1 769 . 1 1 71 71 GLY HA3 H 1 3.96 0.02 . 2 . . . . . . . . 4453 1 770 . 1 1 71 71 GLY C C 13 174.0 0.05 . 1 . . . . . . . . 4453 1 771 . 1 1 72 72 GLU N N 15 120.2 0.05 . 1 . . . . . . . . 4453 1 772 . 1 1 72 72 GLU H H 1 8.25 0.02 . 1 . . . . . . . . 4453 1 773 . 1 1 72 72 GLU CA C 13 56.4 0.05 . 1 . . . . . . . . 4453 1 774 . 1 1 72 72 GLU HA H 1 4.37 0.02 . 1 . . . . . . . . 4453 1 775 . 1 1 72 72 GLU CB C 13 30.4 0.05 . 1 . . . . . . . . 4453 1 776 . 1 1 72 72 GLU HB2 H 1 2.08 0.02 . 2 . . . . . . . . 4453 1 777 . 1 1 72 72 GLU HB3 H 1 1.91 0.02 . 2 . . . . . . . . 4453 1 778 . 1 1 72 72 GLU CG C 13 36.3 0.05 . 1 . . . . . . . . 4453 1 779 . 1 1 72 72 GLU HG2 H 1 2.29 0.02 . 2 . . . . . . . . 4453 1 780 . 1 1 72 72 GLU HG3 H 1 2.25 0.02 . 2 . . . . . . . . 4453 1 781 . 1 1 72 72 GLU C C 13 176.5 0.05 . 1 . . . . . . . . 4453 1 782 . 1 1 73 73 SER N N 15 116.4 0.05 . 1 . . . . . . . . 4453 1 783 . 1 1 73 73 SER H H 1 8.27 0.02 . 1 . . . . . . . . 4453 1 784 . 1 1 73 73 SER CA C 13 58.3 0.05 . 1 . . . . . . . . 4453 1 785 . 1 1 73 73 SER HA H 1 4.47 0.02 . 1 . . . . . . . . 4453 1 786 . 1 1 73 73 SER CB C 13 64.3 0.05 . 1 . . . . . . . . 4453 1 787 . 1 1 73 73 SER HB2 H 1 3.84 0.02 . 1 . . . . . . . . 4453 1 788 . 1 1 73 73 SER HB3 H 1 3.84 0.02 . 1 . . . . . . . . 4453 1 789 . 1 1 73 73 SER C C 13 174.0 0.05 . 1 . . . . . . . . 4453 1 790 . 1 1 74 74 ASP N N 15 123.0 0.05 . 1 . . . . . . . . 4453 1 791 . 1 1 74 74 ASP H H 1 8.41 0.02 . 1 . . . . . . . . 4453 1 792 . 1 1 74 74 ASP CA C 13 54.4 0.05 . 1 . . . . . . . . 4453 1 793 . 1 1 74 74 ASP HA H 1 4.65 0.02 . 1 . . . . . . . . 4453 1 794 . 1 1 74 74 ASP CB C 13 41.0 0.05 . 1 . . . . . . . . 4453 1 795 . 1 1 74 74 ASP HB2 H 1 2.72 0.02 . 2 . . . . . . . . 4453 1 796 . 1 1 74 74 ASP HB3 H 1 2.58 0.02 . 2 . . . . . . . . 4453 1 797 . 1 1 74 74 ASP C C 13 175.1 0.05 . 1 . . . . . . . . 4453 1 798 . 1 1 75 75 LEU N N 15 127.4 0.05 . 1 . . . . . . . . 4453 1 799 . 1 1 75 75 LEU H H 1 7.72 0.02 . 1 . . . . . . . . 4453 1 800 . 1 1 75 75 LEU CA C 13 56.8 0.05 . 1 . . . . . . . . 4453 1 801 . 1 1 75 75 LEU HA H 1 4.15 0.02 . 1 . . . . . . . . 4453 1 802 . 1 1 75 75 LEU CB C 13 43.5 0.05 . 1 . . . . . . . . 4453 1 803 . 1 1 75 75 LEU HB2 H 1 1.55 0.02 . 1 . . . . . . . . 4453 1 804 . 1 1 75 75 LEU HB3 H 1 1.55 0.02 . 1 . . . . . . . . 4453 1 805 . 1 1 75 75 LEU CG C 13 27.5 0.05 . 1 . . . . . . . . 4453 1 806 . 1 1 75 75 LEU HG H 1 1.48 0.02 . 1 . . . . . . . . 4453 1 807 . 1 1 75 75 LEU HD11 H 1 0.89 0.02 . 2 . . . . . . . . 4453 1 808 . 1 1 75 75 LEU HD12 H 1 0.89 0.02 . 2 . . . . . . . . 4453 1 809 . 1 1 75 75 LEU HD13 H 1 0.89 0.02 . 2 . . . . . . . . 4453 1 810 . 1 1 75 75 LEU HD21 H 1 0.84 0.02 . 2 . . . . . . . . 4453 1 811 . 1 1 75 75 LEU HD22 H 1 0.84 0.02 . 2 . . . . . . . . 4453 1 812 . 1 1 75 75 LEU HD23 H 1 0.84 0.02 . 2 . . . . . . . . 4453 1 813 . 1 1 75 75 LEU CD1 C 13 25.2 0.05 . 1 . . . . . . . . 4453 1 814 . 1 1 75 75 LEU CD2 C 13 23.7 0.05 . 1 . . . . . . . . 4453 1 stop_ save_