data_17704 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 17704 _Entry.Title ; RAGEC2-S100A13 tetrameric complex ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2011-06-14 _Entry.Accession_date 2011-06-14 _Entry.Last_release_date 2015-06-26 _Entry.Original_release_date 2015-06-26 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.81 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Sandhya Rani . G. . 17704 2 Sepuru Mohan . K. . 17704 3 Chin Yu . . . 17704 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'not applicable' 'not applicable' . 17704 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'Receptor for Advanced Glycation End products' . 17704 S100A13 . 17704 'tetrameric complex' . 17704 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 17704 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 349 17704 '15N chemical shifts' 74 17704 '1H chemical shifts' 568 17704 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 . . 2015-06-26 . original BMRB . 17704 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 17704 _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 ; Interaction of S100A13 with Receptor for Advanced Glycation End products (RAGE) C2 domain ; _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev 'Not known' _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 . 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 Sandhya Rani . G. . 17704 1 2 Sepuru Mohan . K. . 17704 1 3 Chin Yu . . . 17704 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 17704 _Assembly.ID 1 _Assembly.Name 'RAGEC2-S100A13 tetrameric complex' _Assembly.BMRB_code . _Assembly.Number_of_components 4 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 entity_1_1 1 $entity_1 A . yes native no no . . . 17704 1 2 entity_1_2 1 $entity_1 D . yes native no no . . . 17704 1 3 entity_2_1 2 $entity_2 B . no native no no . . . 17704 1 4 entity_2_2 2 $entity_2 C . no native no no . . . 17704 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 17704 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity_1 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A,D _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; LEEVQLVVEPEGGAVAPGGT VTLTCEVPAQPSPQIHWMKD GVPLPLPPSPVLILPEIGPQ DQGTYSCVATHSSHGPQESR AVSISIIEPGEEG ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 93 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state . _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 9645.887 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 2ENS . "Solution Structure Of The Third Ig-Like Domain From Human Advanced Glycosylation End Product-Specific Receptor" . . . . . 95.70 96 100.00 100.00 3.92e-53 . . . . 17704 1 2 no PDB 2LE9 . "Ragec2-S100a13 Tetrameric Complex" . . . . . 100.00 93 100.00 100.00 7.62e-56 . . . . 17704 1 3 no PDB 4LP5 . "Crystal Structure Of The Full-length Human Rage Extracellular Domain (vc1c2 Fragment)" . . . . . 95.70 304 100.00 100.00 1.49e-51 . . . . 17704 1 4 no PDB 4P2Y . "Crystal Structure Of The Human Rage Ectodomain (fragment Vc1c2) In Complex With Mouse S100a6" . . . . . 95.70 304 100.00 100.00 1.49e-51 . . . . 17704 1 5 no DBJ BAA05958 . "receptor of advanced glycosylation end products of proteins [Homo sapiens]" . . . . . 100.00 404 100.00 100.00 1.16e-53 . . . . 17704 1 6 no DBJ BAA89369 . "advanced glycation endproducts receptor [Homo sapiens]" . . . . . 100.00 404 100.00 100.00 1.16e-53 . . . . 17704 1 7 no DBJ BAC65465 . "soluble form of receptor for advanced glycation endproducts [Homo sapiens]" . . . . . 100.00 347 100.00 100.00 4.68e-54 . . . . 17704 1 8 no DBJ BAC65466 . "N-terminal truncated form of receptor for advanced glycation endproducts [Homo sapiens]" . . . . . 100.00 303 100.00 100.00 1.39e-54 . . . . 17704 1 9 no DBJ BAG35995 . "unnamed protein product [Homo sapiens]" . . . . . 100.00 404 100.00 100.00 1.16e-53 . . . . 17704 1 10 no GB AAA03574 . "receptor for advanced glycosylation end products, partial [Homo sapiens]" . . . . . 100.00 404 100.00 100.00 1.11e-53 . . . . 17704 1 11 no GB AAB47491 . "receptor for advanced glycosylation end products [Homo sapiens]" . . . . . 100.00 404 100.00 100.00 1.16e-53 . . . . 17704 1 12 no GB AAH20669 . "Advanced glycosylation end product-specific receptor [Homo sapiens]" . . . . . 100.00 404 100.00 100.00 1.16e-53 . . . . 17704 1 13 no GB AAQ10686 . "advanced glycosylation end product-specific receptor variant sRAGE2, partial [Homo sapiens]" . . . . . 100.00 147 100.00 100.00 2.31e-55 . . . . 17704 1 14 no GB AAX07272 . "receptor for advanced glycosylation end-products [Homo sapiens]" . . . . . 100.00 404 100.00 100.00 1.16e-53 . . . . 17704 1 15 no REF NP_001127 . "advanced glycosylation end product-specific receptor isoform 1 precursor [Homo sapiens]" . . . . . 100.00 404 100.00 100.00 1.16e-53 . . . . 17704 1 16 no REF NP_001193858 . "advanced glycosylation end product-specific receptor isoform 2 precursor [Homo sapiens]" . . . . . 100.00 420 100.00 100.00 1.25e-53 . . . . 17704 1 17 no REF NP_001193861 . "advanced glycosylation end product-specific receptor isoform 3 precursor [Homo sapiens]" . . . . . 100.00 390 100.00 100.00 9.29e-54 . . . . 17704 1 18 no REF NP_001193863 . "advanced glycosylation end product-specific receptor isoform 4 precursor [Homo sapiens]" . . . . . 100.00 363 100.00 100.00 6.49e-54 . . . . 17704 1 19 no REF NP_001193869 . "advanced glycosylation end product-specific receptor isoform 6 precursor [Homo sapiens]" . . . . . 100.00 347 100.00 100.00 4.68e-54 . . . . 17704 1 20 no SP Q15109 . "RecName: Full=Advanced glycosylation end product-specific receptor; AltName: Full=Receptor for advanced glycosylation end produ" . . . . . 100.00 404 100.00 100.00 1.16e-53 . . . . 17704 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 5 LEU . 17704 1 2 6 GLU . 17704 1 3 7 GLU . 17704 1 4 8 VAL . 17704 1 5 9 GLN . 17704 1 6 10 LEU . 17704 1 7 11 VAL . 17704 1 8 12 VAL . 17704 1 9 13 GLU . 17704 1 10 14 PRO . 17704 1 11 15 GLU . 17704 1 12 16 GLY . 17704 1 13 17 GLY . 17704 1 14 18 ALA . 17704 1 15 19 VAL . 17704 1 16 20 ALA . 17704 1 17 21 PRO . 17704 1 18 22 GLY . 17704 1 19 23 GLY . 17704 1 20 24 THR . 17704 1 21 25 VAL . 17704 1 22 26 THR . 17704 1 23 27 LEU . 17704 1 24 28 THR . 17704 1 25 29 CYS . 17704 1 26 30 GLU . 17704 1 27 31 VAL . 17704 1 28 32 PRO . 17704 1 29 33 ALA . 17704 1 30 34 GLN . 17704 1 31 35 PRO . 17704 1 32 36 SER . 17704 1 33 37 PRO . 17704 1 34 38 GLN . 17704 1 35 39 ILE . 17704 1 36 40 HIS . 17704 1 37 41 TRP . 17704 1 38 42 MET . 17704 1 39 43 LYS . 17704 1 40 44 ASP . 17704 1 41 45 GLY . 17704 1 42 46 VAL . 17704 1 43 47 PRO . 17704 1 44 48 LEU . 17704 1 45 49 PRO . 17704 1 46 50 LEU . 17704 1 47 51 PRO . 17704 1 48 52 PRO . 17704 1 49 53 SER . 17704 1 50 54 PRO . 17704 1 51 55 VAL . 17704 1 52 56 LEU . 17704 1 53 57 ILE . 17704 1 54 58 LEU . 17704 1 55 59 PRO . 17704 1 56 60 GLU . 17704 1 57 61 ILE . 17704 1 58 62 GLY . 17704 1 59 63 PRO . 17704 1 60 64 GLN . 17704 1 61 65 ASP . 17704 1 62 66 GLN . 17704 1 63 67 GLY . 17704 1 64 68 THR . 17704 1 65 69 TYR . 17704 1 66 70 SER . 17704 1 67 71 CYS . 17704 1 68 72 VAL . 17704 1 69 73 ALA . 17704 1 70 74 THR . 17704 1 71 75 HIS . 17704 1 72 76 SER . 17704 1 73 77 SER . 17704 1 74 78 HIS . 17704 1 75 79 GLY . 17704 1 76 80 PRO . 17704 1 77 81 GLN . 17704 1 78 82 GLU . 17704 1 79 83 SER . 17704 1 80 84 ARG . 17704 1 81 85 ALA . 17704 1 82 86 VAL . 17704 1 83 87 SER . 17704 1 84 88 ILE . 17704 1 85 89 SER . 17704 1 86 90 ILE . 17704 1 87 91 ILE . 17704 1 88 92 GLU . 17704 1 89 93 PRO . 17704 1 90 94 GLY . 17704 1 91 95 GLU . 17704 1 92 96 GLU . 17704 1 93 97 GLY . 17704 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 . LEU 1 1 17704 1 . GLU 2 2 17704 1 . GLU 3 3 17704 1 . VAL 4 4 17704 1 . GLN 5 5 17704 1 . LEU 6 6 17704 1 . VAL 7 7 17704 1 . VAL 8 8 17704 1 . GLU 9 9 17704 1 . PRO 10 10 17704 1 . GLU 11 11 17704 1 . GLY 12 12 17704 1 . GLY 13 13 17704 1 . ALA 14 14 17704 1 . VAL 15 15 17704 1 . ALA 16 16 17704 1 . PRO 17 17 17704 1 . GLY 18 18 17704 1 . GLY 19 19 17704 1 . THR 20 20 17704 1 . VAL 21 21 17704 1 . THR 22 22 17704 1 . LEU 23 23 17704 1 . THR 24 24 17704 1 . CYS 25 25 17704 1 . GLU 26 26 17704 1 . VAL 27 27 17704 1 . PRO 28 28 17704 1 . ALA 29 29 17704 1 . GLN 30 30 17704 1 . PRO 31 31 17704 1 . SER 32 32 17704 1 . PRO 33 33 17704 1 . GLN 34 34 17704 1 . ILE 35 35 17704 1 . HIS 36 36 17704 1 . TRP 37 37 17704 1 . MET 38 38 17704 1 . LYS 39 39 17704 1 . ASP 40 40 17704 1 . GLY 41 41 17704 1 . VAL 42 42 17704 1 . PRO 43 43 17704 1 . LEU 44 44 17704 1 . PRO 45 45 17704 1 . LEU 46 46 17704 1 . PRO 47 47 17704 1 . PRO 48 48 17704 1 . SER 49 49 17704 1 . PRO 50 50 17704 1 . VAL 51 51 17704 1 . LEU 52 52 17704 1 . ILE 53 53 17704 1 . LEU 54 54 17704 1 . PRO 55 55 17704 1 . GLU 56 56 17704 1 . ILE 57 57 17704 1 . GLY 58 58 17704 1 . PRO 59 59 17704 1 . GLN 60 60 17704 1 . ASP 61 61 17704 1 . GLN 62 62 17704 1 . GLY 63 63 17704 1 . THR 64 64 17704 1 . TYR 65 65 17704 1 . SER 66 66 17704 1 . CYS 67 67 17704 1 . VAL 68 68 17704 1 . ALA 69 69 17704 1 . THR 70 70 17704 1 . HIS 71 71 17704 1 . SER 72 72 17704 1 . SER 73 73 17704 1 . HIS 74 74 17704 1 . GLY 75 75 17704 1 . PRO 76 76 17704 1 . GLN 77 77 17704 1 . GLU 78 78 17704 1 . SER 79 79 17704 1 . ARG 80 80 17704 1 . ALA 81 81 17704 1 . VAL 82 82 17704 1 . SER 83 83 17704 1 . ILE 84 84 17704 1 . SER 85 85 17704 1 . ILE 86 86 17704 1 . ILE 87 87 17704 1 . GLU 88 88 17704 1 . PRO 89 89 17704 1 . GLY 90 90 17704 1 . GLU 91 91 17704 1 . GLU 92 92 17704 1 . GLY 93 93 17704 1 stop_ save_ save_entity_2 _Entity.Sf_category entity _Entity.Sf_framecode entity_2 _Entity.Entry_ID 17704 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name entity_2 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID B,C _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; AAEPLTELEESIETVVTTFF TFARQEGRKDSLSVNEFKEL VTQQLPHLLKDVGSLDEKMK SLDVNQDSELKFNEYWRLIG ELAKEIRKKKDLKIRKK ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 97 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state . _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 11359.112 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . ALA . 17704 2 2 . ALA . 17704 2 3 . GLU . 17704 2 4 . PRO . 17704 2 5 . LEU . 17704 2 6 . THR . 17704 2 7 . GLU . 17704 2 8 . LEU . 17704 2 9 . GLU . 17704 2 10 . GLU . 17704 2 11 . SER . 17704 2 12 . ILE . 17704 2 13 . GLU . 17704 2 14 . THR . 17704 2 15 . VAL . 17704 2 16 . VAL . 17704 2 17 . THR . 17704 2 18 . THR . 17704 2 19 . PHE . 17704 2 20 . PHE . 17704 2 21 . THR . 17704 2 22 . PHE . 17704 2 23 . ALA . 17704 2 24 . ARG . 17704 2 25 . GLN . 17704 2 26 . GLU . 17704 2 27 . GLY . 17704 2 28 . ARG . 17704 2 29 . LYS . 17704 2 30 . ASP . 17704 2 31 . SER . 17704 2 32 . LEU . 17704 2 33 . SER . 17704 2 34 . VAL . 17704 2 35 . ASN . 17704 2 36 . GLU . 17704 2 37 . PHE . 17704 2 38 . LYS . 17704 2 39 . GLU . 17704 2 40 . LEU . 17704 2 41 . VAL . 17704 2 42 . THR . 17704 2 43 . GLN . 17704 2 44 . GLN . 17704 2 45 . LEU . 17704 2 46 . PRO . 17704 2 47 . HIS . 17704 2 48 . LEU . 17704 2 49 . LEU . 17704 2 50 . LYS . 17704 2 51 . ASP . 17704 2 52 . VAL . 17704 2 53 . GLY . 17704 2 54 . SER . 17704 2 55 . LEU . 17704 2 56 . ASP . 17704 2 57 . GLU . 17704 2 58 . LYS . 17704 2 59 . MET . 17704 2 60 . LYS . 17704 2 61 . SER . 17704 2 62 . LEU . 17704 2 63 . ASP . 17704 2 64 . VAL . 17704 2 65 . ASN . 17704 2 66 . GLN . 17704 2 67 . ASP . 17704 2 68 . SER . 17704 2 69 . GLU . 17704 2 70 . LEU . 17704 2 71 . LYS . 17704 2 72 . PHE . 17704 2 73 . ASN . 17704 2 74 . GLU . 17704 2 75 . TYR . 17704 2 76 . TRP . 17704 2 77 . ARG . 17704 2 78 . LEU . 17704 2 79 . ILE . 17704 2 80 . GLY . 17704 2 81 . GLU . 17704 2 82 . LEU . 17704 2 83 . ALA . 17704 2 84 . LYS . 17704 2 85 . GLU . 17704 2 86 . ILE . 17704 2 87 . ARG . 17704 2 88 . LYS . 17704 2 89 . LYS . 17704 2 90 . LYS . 17704 2 91 . ASP . 17704 2 92 . LEU . 17704 2 93 . LYS . 17704 2 94 . ILE . 17704 2 95 . ARG . 17704 2 96 . LYS . 17704 2 97 . LYS . 17704 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 . ALA 1 1 17704 2 . ALA 2 2 17704 2 . GLU 3 3 17704 2 . PRO 4 4 17704 2 . LEU 5 5 17704 2 . THR 6 6 17704 2 . GLU 7 7 17704 2 . LEU 8 8 17704 2 . GLU 9 9 17704 2 . GLU 10 10 17704 2 . SER 11 11 17704 2 . ILE 12 12 17704 2 . GLU 13 13 17704 2 . THR 14 14 17704 2 . VAL 15 15 17704 2 . VAL 16 16 17704 2 . THR 17 17 17704 2 . THR 18 18 17704 2 . PHE 19 19 17704 2 . PHE 20 20 17704 2 . THR 21 21 17704 2 . PHE 22 22 17704 2 . ALA 23 23 17704 2 . ARG 24 24 17704 2 . GLN 25 25 17704 2 . GLU 26 26 17704 2 . GLY 27 27 17704 2 . ARG 28 28 17704 2 . LYS 29 29 17704 2 . ASP 30 30 17704 2 . SER 31 31 17704 2 . LEU 32 32 17704 2 . SER 33 33 17704 2 . VAL 34 34 17704 2 . ASN 35 35 17704 2 . GLU 36 36 17704 2 . PHE 37 37 17704 2 . LYS 38 38 17704 2 . GLU 39 39 17704 2 . LEU 40 40 17704 2 . VAL 41 41 17704 2 . THR 42 42 17704 2 . GLN 43 43 17704 2 . GLN 44 44 17704 2 . LEU 45 45 17704 2 . PRO 46 46 17704 2 . HIS 47 47 17704 2 . LEU 48 48 17704 2 . LEU 49 49 17704 2 . LYS 50 50 17704 2 . ASP 51 51 17704 2 . VAL 52 52 17704 2 . GLY 53 53 17704 2 . SER 54 54 17704 2 . LEU 55 55 17704 2 . ASP 56 56 17704 2 . GLU 57 57 17704 2 . LYS 58 58 17704 2 . MET 59 59 17704 2 . LYS 60 60 17704 2 . SER 61 61 17704 2 . LEU 62 62 17704 2 . ASP 63 63 17704 2 . VAL 64 64 17704 2 . ASN 65 65 17704 2 . GLN 66 66 17704 2 . ASP 67 67 17704 2 . SER 68 68 17704 2 . GLU 69 69 17704 2 . LEU 70 70 17704 2 . LYS 71 71 17704 2 . PHE 72 72 17704 2 . ASN 73 73 17704 2 . GLU 74 74 17704 2 . TYR 75 75 17704 2 . TRP 76 76 17704 2 . ARG 77 77 17704 2 . LEU 78 78 17704 2 . ILE 79 79 17704 2 . GLY 80 80 17704 2 . GLU 81 81 17704 2 . LEU 82 82 17704 2 . ALA 83 83 17704 2 . LYS 84 84 17704 2 . GLU 85 85 17704 2 . ILE 86 86 17704 2 . ARG 87 87 17704 2 . LYS 88 88 17704 2 . LYS 89 89 17704 2 . LYS 90 90 17704 2 . ASP 91 91 17704 2 . LEU 92 92 17704 2 . LYS 93 93 17704 2 . ILE 94 94 17704 2 . ARG 95 95 17704 2 . LYS 96 96 17704 2 . LYS 97 97 17704 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 17704 _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.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.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity_1 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens BL21DE3 'pET 28a' . . . . . . . . . RAGEC2 . 17704 1 2 2 $entity_2 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens BL21DE3 pGEX-4T . . . . . . . . . S100A13 . 17704 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 17704 _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_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.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . pET28a . . . 17704 1 2 2 $entity_2 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . pGEX-4T . . . 17704 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 17704 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details '13C&15N labeled RAGEC2 and Unlabeled S100A13 (1:1)' _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 entity_1 '[U-100% 13C; U-100% 15N]' . . 1 $entity_1 . . 1.1 . . mM . . . . 17704 1 2 entity_2 'natural abundance' . . 2 $entity_2 . . 1.1 . . mM . . . . 17704 1 3 'sodium phosphate' 'natural abundance' . . . . . . 25 . . mM . . . . 17704 1 4 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 17704 1 5 DTT 'natural abundance' . . . . . . 1 . . mM . . . . 17704 1 6 'sodium azide' 'natural abundance' . . . . . . 0.02 . . mM . . . . 17704 1 7 H2O 'natural abundance' . . . . . . 90 . . % . . . . 17704 1 8 D2O 'natural abundance' . . . . . . 10 . . % . . . . 17704 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 17704 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details '13C &15N labeled S100A13 with Unlabeled RAGEC2 domain (1:1)' _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 entity_1 'natural abundance' . . 1 $entity_1 . . 1.2 . . mM . . . . 17704 2 2 entity_2 '[U-100% 13C; U-100% 15N]' . . 2 $entity_2 . . 1.2 . . mM . . . . 17704 2 3 'sodium phosphate' 'natural abundance' . . . . . . 25 . . mM . . . . 17704 2 4 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 17704 2 5 DTT 'natural abundance' . . . . . . 1 . . mM . . . . 17704 2 6 'sodium azide' 'natural abundance' . . . . . . 0.02 . . mM . . . . 17704 2 7 H2O 'natural abundance' . . . . . . 90 . . % . . . . 17704 2 8 D2O 'natural abundance' . . . . . . 10 . . % . . . . 17704 2 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 17704 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 100 . mM 17704 1 pH 6.5 . pH 17704 1 pressure 1 . atm 17704 1 temperature 298 . K 17704 1 stop_ save_ ############################ # Computer software used # ############################ save_ARIA _Software.Sf_category software _Software.Sf_framecode ARIA _Software.Entry_ID 17704 _Software.ID 1 _Software.Name ARIA _Software.Version '1.2 & 2.2' _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID "Linge, O'Donoghue and Nilges" . . 17704 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 17704 1 'structure solution' 17704 1 stop_ save_ save_CNS _Software.Sf_category software _Software.Sf_framecode CNS _Software.Entry_ID 17704 _Software.ID 2 _Software.Name CNS _Software.Version 1.2 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Brunger, Adams, Clore, Gros, Nilges and Read' . . 17704 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 17704 2 'structure solution' 17704 2 stop_ save_ save_HADDOCK _Software.Sf_category software _Software.Sf_framecode HADDOCK _Software.Entry_ID 17704 _Software.ID 3 _Software.Name HADDOCK _Software.Version 2.0 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Alexandre Bonvin' ; Alexandre Bonvin, Utrecht University Bijvoet Center for Biomolecular Research Padualaan 8, 3584 CH Utrecht, the Netherlands ; http://www.nmr.chem.uu.nl/haddock/ 17704 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'complex structure' 17704 3 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 17704 _Software.ID 4 _Software.Name SPARKY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 17704 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 17704 4 'chemical shift calculation' 17704 4 'peak picking' 17704 4 stop_ save_ save_VNMR _Software.Sf_category software _Software.Sf_framecode VNMR _Software.Entry_ID 17704 _Software.ID 5 _Software.Name VNMR _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Varian . . 17704 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 17704 5 processing 17704 5 stop_ save_ save_TALOS _Software.Sf_category software _Software.Sf_framecode TALOS _Software.Entry_ID 17704 _Software.ID 6 _Software.Name TALOS _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Cornilescu, Delaglio and Bax' . . 17704 6 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'dihedral angles' 17704 6 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 17704 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 17704 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Varian INOVA . 700 . . . 17704 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 17704 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17704 1 2 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17704 1 3 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17704 1 4 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17704 1 5 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17704 1 6 '3D C(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17704 1 7 '3D H(CCO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17704 1 8 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17704 1 9 '3D HBHA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17704 1 10 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17704 1 11 '3D 1H-13C NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17704 1 12 '3D 13C-Filter NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17704 1 13 '2D 1H-15N HSQC' no . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17704 1 14 '3D HNCA' no . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17704 1 15 '3D HN(CO)CA' no . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17704 1 16 '3D HNCACB' no . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17704 1 17 '3D CBCA(CO)NH' no . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17704 1 18 '3D C(CO)NH' no . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17704 1 19 '3D H(CCO)NH' no . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17704 1 20 '3D HBHA(CO)NH' no . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17704 1 21 '3D 1H-15N NOESY' no . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17704 1 22 '3D 1H-13C NOESY' no . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17704 1 23 '3D HNCO' no . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17704 1 24 '13C Filter NOESY' no . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17704 1 25 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17704 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 17704 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 dioxane 'methyl carbon' . . . . ppm 66.5 external direct 1 . . . . . . . . . 17704 1 H 1 TSP protons . . . . ppm 0 internal direct 1 . . . . . . . . . 17704 1 N 15 'ammonium chloride' nitrogen . . . . ppm 75 external direct 1 . . . . . . . . . 17704 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 17704 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 17704 1 2 '3D HNCA' . . . 17704 1 3 '3D HN(CO)CA' . . . 17704 1 4 '3D HNCACB' . . . 17704 1 5 '3D CBCA(CO)NH' . . . 17704 1 6 '3D C(CO)NH' . . . 17704 1 7 '3D H(CCO)NH' . . . 17704 1 8 '3D HCCH-TOCSY' . . . 17704 1 9 '3D HBHA(CO)NH' . . . 17704 1 25 '3D HNCO' . . . 17704 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 LEU HA H 1 4.223 0.0 . 1 . . . A 5 LEU HA . 17704 1 2 . 1 1 1 1 LEU HB2 H 1 1.437 0.0 . 2 . . . A 5 LEU HB2 . 17704 1 3 . 1 1 1 1 LEU HB3 H 1 1.437 0.0 . 2 . . . A 5 LEU HB3 . 17704 1 4 . 1 1 1 1 LEU HD11 H 1 0.686 0.0 . 2 . . . A 5 LEU HD11 . 17704 1 5 . 1 1 1 1 LEU HD12 H 1 0.686 0.0 . 2 . . . A 5 LEU HD12 . 17704 1 6 . 1 1 1 1 LEU HD13 H 1 0.686 0.0 . 2 . . . A 5 LEU HD13 . 17704 1 7 . 1 1 1 1 LEU HD21 H 1 0.734 0.0 . 2 . . . A 5 LEU HD21 . 17704 1 8 . 1 1 1 1 LEU HD22 H 1 0.734 0.0 . 2 . . . A 5 LEU HD22 . 17704 1 9 . 1 1 1 1 LEU HD23 H 1 0.734 0.0 . 2 . . . A 5 LEU HD23 . 17704 1 10 . 1 1 1 1 LEU H H 1 7.89 0.0 . 1 . . . A 5 LEU H1 . 17704 1 11 . 1 1 1 1 LEU C C 13 174.63 0.0 . 1 . . . A 5 LEU C . 17704 1 12 . 1 1 1 1 LEU CA C 13 52.545 0.0 . 1 . . . A 5 LEU CA . 17704 1 13 . 1 1 1 1 LEU CB C 13 39.872 0.0 . 1 . . . A 5 LEU CB . 17704 1 14 . 1 1 1 1 LEU CG C 13 24.241 0.0 . 1 . . . A 5 LEU CG . 17704 1 15 . 1 1 1 1 LEU CD1 C 13 20.74 0.0 . 2 . . . A 5 LEU CD1 . 17704 1 16 . 1 1 1 1 LEU CD2 C 13 22.202 0.0 . 2 . . . A 5 LEU CD2 . 17704 1 17 . 1 1 1 1 LEU N N 15 121.5 0.0 . 1 . . . A 5 LEU N . 17704 1 18 . 1 1 2 2 GLU H H 1 8.326 0.0 . 1 . . . A 6 GLU H . 17704 1 19 . 1 1 2 2 GLU HA H 1 4.173 0.0 . 1 . . . A 6 GLU HA . 17704 1 20 . 1 1 2 2 GLU HB2 H 1 1.786 0.0 . 2 . . . A 6 GLU HB2 . 17704 1 21 . 1 1 2 2 GLU HB3 H 1 1.952 0.0 . 2 . . . A 6 GLU HB3 . 17704 1 22 . 1 1 2 2 GLU HG2 H 1 2.164 0.0 . 2 . . . A 6 GLU HG2 . 17704 1 23 . 1 1 2 2 GLU HG3 H 1 2.164 0.0 . 2 . . . A 6 GLU HG3 . 17704 1 24 . 1 1 2 2 GLU C C 13 173.543 0.0 . 1 . . . A 6 GLU C . 17704 1 25 . 1 1 2 2 GLU CA C 13 53.261 0.0 . 1 . . . A 6 GLU CA . 17704 1 26 . 1 1 2 2 GLU CB C 13 27.508 0.0 . 1 . . . A 6 GLU CB . 17704 1 27 . 1 1 2 2 GLU CG C 13 33.875 0.0 . 1 . . . A 6 GLU CG . 17704 1 28 . 1 1 2 2 GLU N N 15 120.7 0.0 . 1 . . . A 6 GLU N . 17704 1 29 . 1 1 3 3 GLU H H 1 8.223 0.0 . 1 . . . A 7 GLU H . 17704 1 30 . 1 1 3 3 GLU HA H 1 4.052 0.0 . 1 . . . A 7 GLU HA . 17704 1 31 . 1 1 3 3 GLU HB2 H 1 1.784 0.0 . 2 . . . A 7 GLU HB2 . 17704 1 32 . 1 1 3 3 GLU HB3 H 1 1.905 0.0 . 2 . . . A 7 GLU HB3 . 17704 1 33 . 1 1 3 3 GLU C C 13 173.007 0.0 . 1 . . . A 7 GLU C . 17704 1 34 . 1 1 3 3 GLU CA C 13 54.749 0.0 . 1 . . . A 7 GLU CA . 17704 1 35 . 1 1 3 3 GLU CB C 13 28.252 0.0 . 1 . . . A 7 GLU CB . 17704 1 36 . 1 1 3 3 GLU CG C 13 33.977 0.0 . 1 . . . A 7 GLU CG . 17704 1 37 . 1 1 3 3 GLU N N 15 121.2 0.0 . 1 . . . A 7 GLU N . 17704 1 38 . 1 1 4 4 VAL H H 1 7.742 0.0 . 1 . . . A 8 VAL H . 17704 1 39 . 1 1 4 4 VAL HA H 1 4.192 0.0 . 1 . . . A 8 VAL HA . 17704 1 40 . 1 1 4 4 VAL HB H 1 1.52 0.0 . 1 . . . A 8 VAL HB . 17704 1 41 . 1 1 4 4 VAL HG11 H 1 0.702 0.0 . 2 . . . A 8 VAL HG11 . 17704 1 42 . 1 1 4 4 VAL HG21 H 1 0.638 0.0 . 2 . . . A 8 VAL HG11 . 17704 1 43 . 1 1 4 4 VAL HG12 H 1 0.702 0.0 . 2 . . . A 8 VAL HG12 . 17704 1 44 . 1 1 4 4 VAL HG22 H 1 0.638 0.0 . 2 . . . A 8 VAL HG12 . 17704 1 45 . 1 1 4 4 VAL HG13 H 1 0.702 0.0 . 2 . . . A 8 VAL HG13 . 17704 1 46 . 1 1 4 4 VAL HG23 H 1 0.638 0.0 . 2 . . . A 8 VAL HG13 . 17704 1 47 . 1 1 4 4 VAL C C 13 172.43 0.0 . 1 . . . A 8 VAL C . 17704 1 48 . 1 1 4 4 VAL CA C 13 59.316 0.0 . 1 . . . A 8 VAL CA . 17704 1 49 . 1 1 4 4 VAL CB C 13 30.482 0.0 . 1 . . . A 8 VAL CB . 17704 1 50 . 1 1 4 4 VAL CG1 C 13 19.352 0.0 . 2 . . . A 8 VAL CG1 . 17704 1 51 . 1 1 4 4 VAL CG2 C 13 19.284 0.0 . 2 . . . A 8 VAL CG2 . 17704 1 52 . 1 1 4 4 VAL N N 15 119.727 0.0 . 1 . . . A 8 VAL N . 17704 1 53 . 1 1 5 5 GLN H H 1 8.943 0.0 . 1 . . . A 9 GLN H . 17704 1 54 . 1 1 5 5 GLN HA H 1 4.471 0.0 . 1 . . . A 9 GLN HA . 17704 1 55 . 1 1 5 5 GLN HB2 H 1 1.886 0.0 . 2 . . . A 9 GLN HB2 . 17704 1 56 . 1 1 5 5 GLN HB3 H 1 1.966 0.0 . 2 . . . A 9 GLN HB3 . 17704 1 57 . 1 1 5 5 GLN HG2 H 1 2.182 0.0 . 2 . . . A 9 GLN HG2 . 17704 1 58 . 1 1 5 5 GLN HG3 H 1 2.182 0.0 . 2 . . . A 9 GLN HG3 . 17704 1 59 . 1 1 5 5 GLN C C 13 170.512 0.0 . 1 . . . A 9 GLN C . 17704 1 60 . 1 1 5 5 GLN CA C 13 51.39 0.0 . 1 . . . A 9 GLN CA . 17704 1 61 . 1 1 5 5 GLN CB C 13 28.61 0.0 . 1 . . . A 9 GLN CB . 17704 1 62 . 1 1 5 5 GLN CG C 13 30.899 0.0 . 1 . . . A 9 GLN CG . 17704 1 63 . 1 1 5 5 GLN N N 15 126.6 0.0 . 1 . . . A 9 GLN N . 17704 1 64 . 1 1 6 6 LEU H H 1 8.563 0.0 . 1 . . . A 10 LEU H . 17704 1 65 . 1 1 6 6 LEU HA H 1 5.299 0.0 . 1 . . . A 10 LEU HA . 17704 1 66 . 1 1 6 6 LEU HB2 H 1 1.519 0.0 . 2 . . . A 10 LEU HB2 . 17704 1 67 . 1 1 6 6 LEU HB3 H 1 1.667 0.0 . 2 . . . A 10 LEU HB3 . 17704 1 68 . 1 1 6 6 LEU HG H 1 1.429 0.0 . 1 . . . A 10 LEU HG . 17704 1 69 . 1 1 6 6 LEU HD11 H 1 1.162 0.0 . 2 . . . A 10 LEU HD11 . 17704 1 70 . 1 1 6 6 LEU HD12 H 1 1.162 0.0 . 2 . . . A 10 LEU HD12 . 17704 1 71 . 1 1 6 6 LEU HD13 H 1 1.162 0.0 . 2 . . . A 10 LEU HD13 . 17704 1 72 . 1 1 6 6 LEU HD21 H 1 0.915 0.0 . 2 . . . A 10 LEU HD21 . 17704 1 73 . 1 1 6 6 LEU HD22 H 1 0.915 0.0 . 2 . . . A 10 LEU HD22 . 17704 1 74 . 1 1 6 6 LEU HD23 H 1 0.915 0.0 . 2 . . . A 10 LEU HD23 . 17704 1 75 . 1 1 6 6 LEU C C 13 172.944 0.0 . 1 . . . A 10 LEU C . 17704 1 76 . 1 1 6 6 LEU CA C 13 50.99 0.0 . 1 . . . A 10 LEU CA . 17704 1 77 . 1 1 6 6 LEU CB C 13 42.022 0.0 . 1 . . . A 10 LEU CB . 17704 1 78 . 1 1 6 6 LEU CG C 13 25.376 0.0 . 1 . . . A 10 LEU CG . 17704 1 79 . 1 1 6 6 LEU CD1 C 13 23.378 0.0 . 2 . . . A 10 LEU CD1 . 17704 1 80 . 1 1 6 6 LEU CD2 C 13 24.996 0.0 . 2 . . . A 10 LEU CD2 . 17704 1 81 . 1 1 6 6 LEU N N 15 125.7 0.0 . 1 . . . A 10 LEU N . 17704 1 82 . 1 1 7 7 VAL H H 1 9.17 0.0 . 1 . . . A 11 VAL H . 17704 1 83 . 1 1 7 7 VAL HA H 1 4.238 0.0 . 1 . . . A 11 VAL HA . 17704 1 84 . 1 1 7 7 VAL HB H 1 1.922 0.0 . 1 . . . A 11 VAL HB . 17704 1 85 . 1 1 7 7 VAL HG11 H 1 0.84 0.0 . 2 . . . A 11 VAL HG11 . 17704 1 86 . 1 1 7 7 VAL HG12 H 1 0.84 0.0 . 2 . . . A 11 VAL HG12 . 17704 1 87 . 1 1 7 7 VAL HG13 H 1 0.84 0.0 . 2 . . . A 11 VAL HG13 . 17704 1 88 . 1 1 7 7 VAL HG21 H 1 0.824 0.0 . 2 . . . A 11 VAL HG21 . 17704 1 89 . 1 1 7 7 VAL HG22 H 1 0.824 0.0 . 2 . . . A 11 VAL HG22 . 17704 1 90 . 1 1 7 7 VAL HG23 H 1 0.824 0.0 . 2 . . . A 11 VAL HG23 . 17704 1 91 . 1 1 7 7 VAL C C 13 171.544 0.0 . 1 . . . A 11 VAL C . 17704 1 92 . 1 1 7 7 VAL CA C 13 58.358 0.0 . 1 . . . A 11 VAL CA . 17704 1 93 . 1 1 7 7 VAL CB C 13 31.618 0.0 . 1 . . . A 11 VAL CB . 17704 1 94 . 1 1 7 7 VAL CG1 C 13 18.668 0.0 . 2 . . . A 11 VAL CG1 . 17704 1 95 . 1 1 7 7 VAL CG2 C 13 18.122 0.0 . 2 . . . A 11 VAL CG2 . 17704 1 96 . 1 1 7 7 VAL N N 15 129.3 0.0 . 1 . . . A 11 VAL N . 17704 1 97 . 1 1 8 8 VAL H H 1 8.426 0.0 . 1 . . . A 12 VAL H . 17704 1 98 . 1 1 8 8 VAL HA H 1 4.78 0.0 . 1 . . . A 12 VAL HA . 17704 1 99 . 1 1 8 8 VAL HB H 1 1.757 0.0 . 1 . . . A 12 VAL HB . 17704 1 100 . 1 1 8 8 VAL HG11 H 1 0.74 0.0 . 2 . . . A 12 VAL HG11 . 17704 1 101 . 1 1 8 8 VAL HG12 H 1 0.74 0.0 . 2 . . . A 12 VAL HG12 . 17704 1 102 . 1 1 8 8 VAL HG13 H 1 0.74 0.0 . 2 . . . A 12 VAL HG13 . 17704 1 103 . 1 1 8 8 VAL HG21 H 1 0.767 0.0 . 2 . . . A 12 VAL HG21 . 17704 1 104 . 1 1 8 8 VAL HG22 H 1 0.767 0.0 . 2 . . . A 12 VAL HG22 . 17704 1 105 . 1 1 8 8 VAL HG23 H 1 0.767 0.0 . 2 . . . A 12 VAL HG23 . 17704 1 106 . 1 1 8 8 VAL C C 13 170.588 0.0 . 1 . . . A 12 VAL C . 17704 1 107 . 1 1 8 8 VAL CA C 13 57.256 0.0 . 1 . . . A 12 VAL CA . 17704 1 108 . 1 1 8 8 VAL CB C 13 32.368 0.0 . 1 . . . A 12 VAL CB . 17704 1 109 . 1 1 8 8 VAL CG1 C 13 19.699 0.0 . 2 . . . A 12 VAL CG1 . 17704 1 110 . 1 1 8 8 VAL CG2 C 13 17.539 0.0 . 2 . . . A 12 VAL CG2 . 17704 1 111 . 1 1 8 8 VAL N N 15 126.1 0.0 . 1 . . . A 12 VAL N . 17704 1 112 . 1 1 9 9 GLU H H 1 8.395 0.0 . 1 . . . A 13 GLU H . 17704 1 113 . 1 1 9 9 GLU HA H 1 4.533 0.0 . 1 . . . A 13 GLU HA . 17704 1 114 . 1 1 9 9 GLU HB2 H 1 1.74 0.0 . 2 . . . A 13 GLU HB2 . 17704 1 115 . 1 1 9 9 GLU HB3 H 1 1.909 0.0 . 2 . . . A 13 GLU HB3 . 17704 1 116 . 1 1 9 9 GLU C C 13 170.981 0.0 . 1 . . . A 13 GLU C . 17704 1 117 . 1 1 9 9 GLU CA C 13 49.995 0.0 . 1 . . . A 13 GLU CA . 17704 1 118 . 1 1 9 9 GLU CB C 13 30.497 0.0 . 1 . . . A 13 GLU CB . 17704 1 119 . 1 1 9 9 GLU CG C 13 33.482 0.0 . 1 . . . A 13 GLU CG . 17704 1 120 . 1 1 9 9 GLU N N 15 127.1 0.0 . 1 . . . A 13 GLU N . 17704 1 121 . 1 1 10 10 PRO HA H 1 4.65 0.0 . 1 . . . A 14 PRO HA . 17704 1 122 . 1 1 10 10 PRO HB3 H 1 2.411 0.0 . 2 . . . A 14 PRO HB3 . 17704 1 123 . 1 1 10 10 PRO HG2 H 1 1.888 0.0 . 2 . . . A 14 PRO HG2 . 17704 1 124 . 1 1 10 10 PRO HG3 H 1 1.723 0.0 . 2 . . . A 14 PRO HG3 . 17704 1 125 . 1 1 10 10 PRO C C 13 173.816 0.0 . 1 . . . A 14 PRO C . 17704 1 126 . 1 1 10 10 PRO CA C 13 60.053 0.0 . 1 . . . A 14 PRO CA . 17704 1 127 . 1 1 10 10 PRO CB C 13 31.937 0.0 . 1 . . . A 14 PRO CB . 17704 1 128 . 1 1 10 10 PRO CG C 13 22.995 0.0 . 1 . . . A 14 PRO CG . 17704 1 129 . 1 1 10 10 PRO CD C 13 47.876 0.0 . 1 . . . A 14 PRO CD . 17704 1 130 . 1 1 11 11 GLU H H 1 8.591 0.0 . 1 . . . A 15 GLU H . 17704 1 131 . 1 1 11 11 GLU HA H 1 4.055 0.0 . 1 . . . A 15 GLU HA . 17704 1 132 . 1 1 11 11 GLU HB2 H 1 1.934 0.0 . 2 . . . A 15 GLU HB2 . 17704 1 133 . 1 1 11 11 GLU HB3 H 1 2.068 0.0 . 2 . . . A 15 GLU HB3 . 17704 1 134 . 1 1 11 11 GLU HG2 H 1 2.273 0.0 . 2 . . . A 15 GLU HG2 . 17704 1 135 . 1 1 11 11 GLU HG3 H 1 2.273 0.0 . 2 . . . A 15 GLU HG3 . 17704 1 136 . 1 1 11 11 GLU C C 13 175.216 0.0 . 1 . . . A 15 GLU C . 17704 1 137 . 1 1 11 11 GLU CA C 13 56.004 0.0 . 1 . . . A 15 GLU CA . 17704 1 138 . 1 1 11 11 GLU CB C 13 27.122 0.0 . 1 . . . A 15 GLU CB . 17704 1 139 . 1 1 11 11 GLU CG C 13 33.379 0.0 . 1 . . . A 15 GLU CG . 17704 1 140 . 1 1 11 11 GLU N N 15 121.5 0.0 . 1 . . . A 15 GLU N . 17704 1 141 . 1 1 12 12 GLY H H 1 8.588 0.0 . 1 . . . A 16 GLY H . 17704 1 142 . 1 1 12 12 GLY HA2 H 1 4.102 0.0 . 2 . . . A 16 GLY HA2 . 17704 1 143 . 1 1 12 12 GLY HA3 H 1 3.771 0.0 . 2 . . . A 16 GLY HA3 . 17704 1 144 . 1 1 12 12 GLY C C 13 173.065 0.0 . 1 . . . A 16 GLY C . 17704 1 145 . 1 1 12 12 GLY CA C 13 42.275 0.0 . 1 . . . A 16 GLY CA . 17704 1 146 . 1 1 12 12 GLY N N 15 110.9 0.0 . 1 . . . A 16 GLY N . 17704 1 147 . 1 1 13 13 GLY H H 1 8.134 0.0 . 1 . . . A 17 GLY H . 17704 1 148 . 1 1 13 13 GLY HA2 H 1 4.102 0.0 . 2 . . . A 17 GLY HA2 . 17704 1 149 . 1 1 13 13 GLY HA3 H 1 3.203 0.0 . 2 . . . A 17 GLY HA3 . 17704 1 150 . 1 1 13 13 GLY C C 13 167.573 0.0 . 1 . . . A 17 GLY C . 17704 1 151 . 1 1 13 13 GLY CA C 13 43.34 0.0 . 1 . . . A 17 GLY CA . 17704 1 152 . 1 1 13 13 GLY N N 15 107.2 0.0 . 1 . . . A 17 GLY N . 17704 1 153 . 1 1 14 14 ALA H H 1 7.217 0.0 . 1 . . . A 18 ALA H . 17704 1 154 . 1 1 14 14 ALA HA H 1 5.296 0.0 . 1 . . . A 18 ALA HA . 17704 1 155 . 1 1 14 14 ALA HB1 H 1 1.042 0.0 . 1 . . . A 18 ALA HB1 . 17704 1 156 . 1 1 14 14 ALA HB2 H 1 1.042 0.0 . 1 . . . A 18 ALA HB2 . 17704 1 157 . 1 1 14 14 ALA HB3 H 1 1.042 0.0 . 1 . . . A 18 ALA HB3 . 17704 1 158 . 1 1 14 14 ALA C C 13 174.238 0.0 . 1 . . . A 18 ALA C . 17704 1 159 . 1 1 14 14 ALA CA C 13 47.26 0.0 . 1 . . . A 18 ALA CA . 17704 1 160 . 1 1 14 14 ALA N N 15 120.2 0.0 . 1 . . . A 18 ALA N . 17704 1 161 . 1 1 15 15 VAL H H 1 8.24 0.0 . 1 . . . A 19 VAL H . 17704 1 162 . 1 1 15 15 VAL HA H 1 4.432 0.0 . 1 . . . A 19 VAL HA . 17704 1 163 . 1 1 15 15 VAL HB H 1 1.833 0.0 . 1 . . . A 19 VAL HB . 17704 1 164 . 1 1 15 15 VAL HG11 H 1 0.657 0.0 . 2 . . . A 19 VAL HG11 . 17704 1 165 . 1 1 15 15 VAL HG12 H 1 0.657 0.0 . 2 . . . A 19 VAL HG12 . 17704 1 166 . 1 1 15 15 VAL HG13 H 1 0.657 0.0 . 2 . . . A 19 VAL HG13 . 17704 1 167 . 1 1 15 15 VAL HG21 H 1 0.693 0.0 . 2 . . . A 19 VAL HG21 . 17704 1 168 . 1 1 15 15 VAL HG22 H 1 0.693 0.0 . 2 . . . A 19 VAL HG22 . 17704 1 169 . 1 1 15 15 VAL HG23 H 1 0.693 0.0 . 2 . . . A 19 VAL HG23 . 17704 1 170 . 1 1 15 15 VAL C C 13 170.719 0.0 . 1 . . . A 19 VAL C . 17704 1 171 . 1 1 15 15 VAL CA C 13 55.725 0.0 . 1 . . . A 19 VAL CA . 17704 1 172 . 1 1 15 15 VAL CB C 13 33.859 0.0 . 1 . . . A 19 VAL CB . 17704 1 173 . 1 1 15 15 VAL CG1 C 13 18.865 0.0 . 2 . . . A 19 VAL CG1 . 17704 1 174 . 1 1 15 15 VAL CG2 C 13 17.121 0.0 . 2 . . . A 19 VAL CG2 . 17704 1 175 . 1 1 15 15 VAL N N 15 118.7 0.0 . 1 . . . A 19 VAL N . 17704 1 176 . 1 1 16 16 ALA H H 1 8.091 0.0 . 1 . . . A 20 ALA H . 17704 1 177 . 1 1 16 16 ALA HA H 1 4.22 0.0 . 1 . . . A 20 ALA HA . 17704 1 178 . 1 1 16 16 ALA HB1 H 1 1.76 0.0 . 1 . . . A 20 ALA HB1 . 17704 1 179 . 1 1 16 16 ALA HB2 H 1 1.76 0.0 . 1 . . . A 20 ALA HB2 . 17704 1 180 . 1 1 16 16 ALA HB3 H 1 1.76 0.0 . 1 . . . A 20 ALA HB3 . 17704 1 181 . 1 1 16 16 ALA C C 13 172.063 0.0 . 1 . . . A 20 ALA C . 17704 1 182 . 1 1 16 16 ALA CA C 13 50.635 0.0 . 1 . . . A 20 ALA CA . 17704 1 183 . 1 1 16 16 ALA CB C 13 14.19 0.0 . 1 . . . A 20 ALA CB . 17704 1 184 . 1 1 16 16 ALA N N 15 126.4 0.0 . 1 . . . A 20 ALA N . 17704 1 185 . 1 1 17 17 PRO HA H 1 4.56 0.0 . 1 . . . A 21 PRO HA . 17704 1 186 . 1 1 17 17 PRO HB2 H 1 1.11 0.0 . 2 . . . A 21 PRO HB2 . 17704 1 187 . 1 1 17 17 PRO HB3 H 1 2.46 0.0 . 2 . . . A 21 PRO HB3 . 17704 1 188 . 1 1 17 17 PRO HG2 H 1 1.32 0.0 . 2 . . . A 21 PRO HG2 . 17704 1 189 . 1 1 17 17 PRO HG3 H 1 1.23 0.0 . 2 . . . A 21 PRO HG3 . 17704 1 190 . 1 1 17 17 PRO C C 13 175.801 0.0 . 1 . . . A 21 PRO C . 17704 1 191 . 1 1 17 17 PRO CA C 13 63.86 0.0 . 1 . . . A 21 PRO CA . 17704 1 192 . 1 1 17 17 PRO CB C 13 32.61 0.0 . 1 . . . A 21 PRO CB . 17704 1 193 . 1 1 18 18 GLY H H 1 8.986 0.0 . 1 . . . A 22 GLY H . 17704 1 194 . 1 1 18 18 GLY HA2 H 1 4.45 0.0 . 2 . . . A 22 GLY HA2 . 17704 1 195 . 1 1 18 18 GLY HA3 H 1 3.53 0.0 . 2 . . . A 22 GLY HA3 . 17704 1 196 . 1 1 18 18 GLY C C 13 173.74 0.0 . 1 . . . A 22 GLY C . 17704 1 197 . 1 1 18 18 GLY CA C 13 45.73 0.0 . 1 . . . A 22 GLY CA . 17704 1 198 . 1 1 18 18 GLY N N 15 112.8 0.0 . 1 . . . A 22 GLY N . 17704 1 199 . 1 1 19 19 GLY H H 1 8.247 0.0 . 1 . . . A 23 GLY H . 17704 1 200 . 1 1 19 19 GLY HA2 H 1 4.181 0.0 . 2 . . . A 23 GLY HA2 . 17704 1 201 . 1 1 19 19 GLY HA3 H 1 3.528 0.0 . 2 . . . A 23 GLY HA3 . 17704 1 202 . 1 1 19 19 GLY C C 13 168.142 0.0 . 1 . . . A 23 GLY C . 17704 1 203 . 1 1 19 19 GLY CA C 13 41.376 0.0 . 1 . . . A 23 GLY CA . 17704 1 204 . 1 1 19 19 GLY N N 15 109.2 0.0 . 1 . . . A 23 GLY N . 17704 1 205 . 1 1 20 20 THR H H 1 7.847 0.0 . 1 . . . A 24 THR H . 17704 1 206 . 1 1 20 20 THR HA H 1 5.134 0.0 . 1 . . . A 24 THR HA . 17704 1 207 . 1 1 20 20 THR HB H 1 3.707 0.0 . 1 . . . A 24 THR HB . 17704 1 208 . 1 1 20 20 THR HG21 H 1 0.832 0.0 . 1 . . . A 24 THR HG21 . 17704 1 209 . 1 1 20 20 THR HG22 H 1 0.832 0.0 . 1 . . . A 24 THR HG22 . 17704 1 210 . 1 1 20 20 THR HG23 H 1 0.832 0.0 . 1 . . . A 24 THR HG23 . 17704 1 211 . 1 1 20 20 THR C C 13 171.25 0.0 . 1 . . . A 24 THR C . 17704 1 212 . 1 1 20 20 THR CA C 13 58.05 0.0 . 1 . . . A 24 THR CA . 17704 1 213 . 1 1 20 20 THR CB C 13 69.13 0.0 . 1 . . . A 24 THR CB . 17704 1 214 . 1 1 20 20 THR CG2 C 13 18.988 0.0 . 1 . . . A 24 THR CG2 . 17704 1 215 . 1 1 20 20 THR N N 15 113.4 0.0 . 1 . . . A 24 THR N . 17704 1 216 . 1 1 21 21 VAL H H 1 8.047 0.0 . 1 . . . A 25 VAL H . 17704 1 217 . 1 1 21 21 VAL HA H 1 4.672 0.0 . 1 . . . A 25 VAL HA . 17704 1 218 . 1 1 21 21 VAL HB H 1 1.588 0.0 . 1 . . . A 25 VAL HB . 17704 1 219 . 1 1 21 21 VAL HG11 H 1 0.676 0.0 . 2 . . . A 25 VAL HG11 . 17704 1 220 . 1 1 21 21 VAL HG12 H 1 0.676 0.0 . 2 . . . A 25 VAL HG12 . 17704 1 221 . 1 1 21 21 VAL HG13 H 1 0.676 0.0 . 2 . . . A 25 VAL HG13 . 17704 1 222 . 1 1 21 21 VAL HG21 H 1 0.601 0.0 . 2 . . . A 25 VAL HG21 . 17704 1 223 . 1 1 21 21 VAL HG22 H 1 0.601 0.0 . 2 . . . A 25 VAL HG22 . 17704 1 224 . 1 1 21 21 VAL HG23 H 1 0.601 0.0 . 2 . . . A 25 VAL HG23 . 17704 1 225 . 1 1 21 21 VAL C C 13 171.13 0.0 . 1 . . . A 25 VAL C . 17704 1 226 . 1 1 21 21 VAL CA C 13 56.985 0.0 . 1 . . . A 25 VAL CA . 17704 1 227 . 1 1 21 21 VAL CB C 13 32.373 0.0 . 1 . . . A 25 VAL CB . 17704 1 228 . 1 1 21 21 VAL CG1 C 13 20.126 0.0 . 2 . . . A 25 VAL CG1 . 17704 1 229 . 1 1 21 21 VAL CG2 C 13 18.954 0.0 . 2 . . . A 25 VAL CG2 . 17704 1 230 . 1 1 21 21 VAL N N 15 126.8 0.0 . 1 . . . A 25 VAL N . 17704 1 231 . 1 1 22 22 THR H H 1 8.681 0.0 . 1 . . . A 26 THR H . 17704 1 232 . 1 1 22 22 THR HA H 1 4.563 0.0 . 1 . . . A 26 THR HA . 17704 1 233 . 1 1 22 22 THR HB H 1 3.708 0.0 . 1 . . . A 26 THR HB . 17704 1 234 . 1 1 22 22 THR HG21 H 1 0.842 0.0 . 1 . . . A 26 THR HG21 . 17704 1 235 . 1 1 22 22 THR HG22 H 1 0.842 0.0 . 1 . . . A 26 THR HG22 . 17704 1 236 . 1 1 22 22 THR HG23 H 1 0.842 0.0 . 1 . . . A 26 THR HG23 . 17704 1 237 . 1 1 22 22 THR C C 13 170.47 0.0 . 1 . . . A 26 THR C . 17704 1 238 . 1 1 22 22 THR CA C 13 58.985 0.0 . 1 . . . A 26 THR CA . 17704 1 239 . 1 1 22 22 THR CB C 13 67.87 0.0 . 1 . . . A 26 THR CB . 17704 1 240 . 1 1 22 22 THR CG2 C 13 18.371 0.0 . 1 . . . A 26 THR CG2 . 17704 1 241 . 1 1 22 22 THR N N 15 121.8 0.0 . 1 . . . A 26 THR N . 17704 1 242 . 1 1 23 23 LEU H H 1 9.067 0.0 . 1 . . . A 27 LEU H . 17704 1 243 . 1 1 23 23 LEU HA H 1 5.012 0.0 . 1 . . . A 27 LEU HA . 17704 1 244 . 1 1 23 23 LEU HB2 H 1 1.227 0.0 . 2 . . . A 27 LEU HB2 . 17704 1 245 . 1 1 23 23 LEU HB3 H 1 1.402 0.0 . 2 . . . A 27 LEU HB3 . 17704 1 246 . 1 1 23 23 LEU HG H 1 1.166 0.0 . 1 . . . A 27 LEU HG . 17704 1 247 . 1 1 23 23 LEU HD11 H 1 0.218 0.0 . 2 . . . A 27 LEU HD11 . 17704 1 248 . 1 1 23 23 LEU HD12 H 1 0.218 0.0 . 2 . . . A 27 LEU HD12 . 17704 1 249 . 1 1 23 23 LEU HD13 H 1 0.218 0.0 . 2 . . . A 27 LEU HD13 . 17704 1 250 . 1 1 23 23 LEU HD21 H 1 0.611 0.0 . 2 . . . A 27 LEU HD21 . 17704 1 251 . 1 1 23 23 LEU HD22 H 1 0.611 0.0 . 2 . . . A 27 LEU HD22 . 17704 1 252 . 1 1 23 23 LEU HD23 H 1 0.611 0.0 . 2 . . . A 27 LEU HD23 . 17704 1 253 . 1 1 23 23 LEU C C 13 171.603 0.0 . 1 . . . A 27 LEU C . 17704 1 254 . 1 1 23 23 LEU CA C 13 50.952 0.0 . 1 . . . A 27 LEU CA . 17704 1 255 . 1 1 23 23 LEU CB C 13 41.239 0.0 . 1 . . . A 27 LEU CB . 17704 1 256 . 1 1 23 23 LEU CG C 13 25.372 0.0 . 1 . . . A 27 LEU CG . 17704 1 257 . 1 1 23 23 LEU CD1 C 13 23.492 0.0 . 2 . . . A 27 LEU CD1 . 17704 1 258 . 1 1 23 23 LEU CD2 C 13 24.12 0.0 . 2 . . . A 27 LEU CD2 . 17704 1 259 . 1 1 23 23 LEU N N 15 130.1 0.0 . 1 . . . A 27 LEU N . 17704 1 260 . 1 1 24 24 THR H H 1 8.912 0.0 . 1 . . . A 28 THR H . 17704 1 261 . 1 1 24 24 THR HA H 1 5.139 0.0 . 1 . . . A 28 THR HA . 17704 1 262 . 1 1 24 24 THR HB H 1 3.844 0.0 . 1 . . . A 28 THR HB . 17704 1 263 . 1 1 24 24 THR HG21 H 1 1.035 0.0 . 1 . . . A 28 THR HG21 . 17704 1 264 . 1 1 24 24 THR HG22 H 1 1.035 0.0 . 1 . . . A 28 THR HG22 . 17704 1 265 . 1 1 24 24 THR HG23 H 1 1.035 0.0 . 1 . . . A 28 THR HG23 . 17704 1 266 . 1 1 24 24 THR C C 13 170.288 0.0 . 1 . . . A 28 THR C . 17704 1 267 . 1 1 24 24 THR CA C 13 58.258 0.0 . 1 . . . A 28 THR CA . 17704 1 268 . 1 1 24 24 THR CB C 13 68.369 0.0 . 1 . . . A 28 THR CB . 17704 1 269 . 1 1 24 24 THR CG2 C 13 18.371 0.0 . 1 . . . A 28 THR CG2 . 17704 1 270 . 1 1 24 24 THR N N 15 117.1 0.0 . 1 . . . A 28 THR N . 17704 1 271 . 1 1 25 25 CYS H H 1 9.261 0.0 . 1 . . . A 29 CYS H . 17704 1 272 . 1 1 25 25 CYS HA H 1 5.324 0.0 . 1 . . . A 29 CYS HA . 17704 1 273 . 1 1 25 25 CYS HB2 H 1 2.931 0.0 . 2 . . . A 29 CYS HB2 . 17704 1 274 . 1 1 25 25 CYS HB3 H 1 2.735 0.0 . 2 . . . A 29 CYS HB3 . 17704 1 275 . 1 1 25 25 CYS C C 13 170.7 0.0 . 1 . . . A 29 CYS C . 17704 1 276 . 1 1 25 25 CYS CA C 13 52.1 0.0 . 1 . . . A 29 CYS CA . 17704 1 277 . 1 1 25 25 CYS CB C 13 43.25 0.0 . 1 . . . A 29 CYS CB . 17704 1 278 . 1 1 25 25 CYS N N 15 128.0 0.0 . 1 . . . A 29 CYS N . 17704 1 279 . 1 1 26 26 GLU H H 1 8.955 0.0 . 1 . . . A 30 GLU H . 17704 1 280 . 1 1 26 26 GLU HA H 1 4.405 0.0 . 1 . . . A 30 GLU HA . 17704 1 281 . 1 1 26 26 GLU HB2 H 1 1.805 0.0 . 2 . . . A 30 GLU HB2 . 17704 1 282 . 1 1 26 26 GLU HB3 H 1 1.805 0.0 . 2 . . . A 30 GLU HB3 . 17704 1 283 . 1 1 26 26 GLU HG2 H 1 1.943 0.0 . 2 . . . A 30 GLU HG2 . 17704 1 284 . 1 1 26 26 GLU HG3 H 1 2.06 0.0 . 2 . . . A 30 GLU HG3 . 17704 1 285 . 1 1 26 26 GLU C C 13 171.918 0.0 . 1 . . . A 30 GLU C . 17704 1 286 . 1 1 26 26 GLU CA C 13 52.38 0.0 . 1 . . . A 30 GLU CA . 17704 1 287 . 1 1 26 26 GLU CB C 13 29.997 0.0 . 1 . . . A 30 GLU CB . 17704 1 288 . 1 1 26 26 GLU CG C 13 33.261 0.0 . 1 . . . A 30 GLU CG . 17704 1 289 . 1 1 26 26 GLU N N 15 124.8 0.0 . 1 . . . A 30 GLU N . 17704 1 290 . 1 1 27 27 VAL H H 1 8.596 0.0 . 1 . . . A 31 VAL H . 17704 1 291 . 1 1 27 27 VAL HA H 1 4.653 0.0 . 1 . . . A 31 VAL HA . 17704 1 292 . 1 1 27 27 VAL HB H 1 2.016 0.0 . 1 . . . A 31 VAL HB . 17704 1 293 . 1 1 27 27 VAL HG11 H 1 0.754 0.0 . 2 . . . A 31 VAL HG11 . 17704 1 294 . 1 1 27 27 VAL HG12 H 1 0.754 0.0 . 2 . . . A 31 VAL HG12 . 17704 1 295 . 1 1 27 27 VAL HG13 H 1 0.754 0.0 . 2 . . . A 31 VAL HG13 . 17704 1 296 . 1 1 27 27 VAL HG21 H 1 0.693 0.0 . 2 . . . A 31 VAL HG21 . 17704 1 297 . 1 1 27 27 VAL HG22 H 1 0.693 0.0 . 2 . . . A 31 VAL HG22 . 17704 1 298 . 1 1 27 27 VAL HG23 H 1 0.693 0.0 . 2 . . . A 31 VAL HG23 . 17704 1 299 . 1 1 27 27 VAL C C 13 171.192 0.0 . 1 . . . A 31 VAL C . 17704 1 300 . 1 1 27 27 VAL CA C 13 55.52 0.0 . 1 . . . A 31 VAL CA . 17704 1 301 . 1 1 27 27 VAL CB C 13 29.92 0.0 . 1 . . . A 31 VAL CB . 17704 1 302 . 1 1 27 27 VAL CG1 C 13 19.616 0.0 . 2 . . . A 31 VAL CG1 . 17704 1 303 . 1 1 27 27 VAL CG2 C 13 18.626 0.0 . 2 . . . A 31 VAL CG2 . 17704 1 304 . 1 1 27 27 VAL N N 15 123.73 0.0 . 1 . . . A 31 VAL N . 17704 1 305 . 1 1 28 28 PRO HA H 1 4.116 0.0 . 1 . . . A 32 PRO HA . 17704 1 306 . 1 1 28 28 PRO HB2 H 1 1.778 0.0 . 2 . . . A 32 PRO HB2 . 17704 1 307 . 1 1 28 28 PRO HB3 H 1 2.209 0.0 . 2 . . . A 32 PRO HB3 . 17704 1 308 . 1 1 28 28 PRO HG2 H 1 1.796 0.0 . 2 . . . A 32 PRO HG2 . 17704 1 309 . 1 1 28 28 PRO HG3 H 1 1.915 0.0 . 2 . . . A 32 PRO HG3 . 17704 1 310 . 1 1 28 28 PRO HD2 H 1 3.485 0.0 . 2 . . . A 32 PRO HD2 . 17704 1 311 . 1 1 28 28 PRO HD3 H 1 3.653 0.0 . 2 . . . A 32 PRO HD3 . 17704 1 312 . 1 1 28 28 PRO C C 13 174.726 0.0 . 1 . . . A 32 PRO C . 17704 1 313 . 1 1 28 28 PRO CA C 13 61.319 0.0 . 1 . . . A 32 PRO CA . 17704 1 314 . 1 1 28 28 PRO CB C 13 29.388 0.0 . 1 . . . A 32 PRO CB . 17704 1 315 . 1 1 28 28 PRO CG C 13 24.742 0.0 . 1 . . . A 32 PRO CG . 17704 1 316 . 1 1 28 28 PRO CD C 13 47.881 0.0 . 1 . . . A 32 PRO CD . 17704 1 317 . 1 1 29 29 ALA H H 1 8.371 0.0 . 1 . . . A 33 ALA H . 17704 1 318 . 1 1 29 29 ALA HA H 1 4.101 0.0 . 1 . . . A 33 ALA HA . 17704 1 319 . 1 1 29 29 ALA HB1 H 1 1.329 0.0 . 1 . . . A 33 ALA HB1 . 17704 1 320 . 1 1 29 29 ALA HB2 H 1 1.329 0.0 . 1 . . . A 33 ALA HB2 . 17704 1 321 . 1 1 29 29 ALA HB3 H 1 1.329 0.0 . 1 . . . A 33 ALA HB3 . 17704 1 322 . 1 1 29 29 ALA C C 13 174.49 0.0 . 1 . . . A 33 ALA C . 17704 1 323 . 1 1 29 29 ALA CA C 13 50.29 0.0 . 1 . . . A 33 ALA CA . 17704 1 324 . 1 1 29 29 ALA CB C 13 16.237 0.0 . 1 . . . A 33 ALA CB . 17704 1 325 . 1 1 29 29 ALA N N 15 118.4 0.0 . 1 . . . A 33 ALA N . 17704 1 326 . 1 1 30 30 GLN H H 1 7.594 0.0 . 1 . . . A 34 GLN H . 17704 1 327 . 1 1 30 30 GLN HA H 1 4.728 0.0 . 1 . . . A 34 GLN HA . 17704 1 328 . 1 1 30 30 GLN HB2 H 1 1.619 0.0 . 2 . . . A 34 GLN HB2 . 17704 1 329 . 1 1 30 30 GLN HB3 H 1 1.824 0.0 . 2 . . . A 34 GLN HB3 . 17704 1 330 . 1 1 30 30 GLN HG2 H 1 1.933 0.0 . 2 . . . A 34 GLN HG2 . 17704 1 331 . 1 1 30 30 GLN HG3 H 1 2.08 0.0 . 2 . . . A 34 GLN HG3 . 17704 1 332 . 1 1 30 30 GLN C C 13 170.493 0.0 . 1 . . . A 34 GLN C . 17704 1 333 . 1 1 30 30 GLN CA C 13 49.5 0.0 . 1 . . . A 34 GLN CA . 17704 1 334 . 1 1 30 30 GLN CB C 13 27.753 0.0 . 1 . . . A 34 GLN CB . 17704 1 335 . 1 1 30 30 GLN N N 15 117.5 0.0 . 1 . . . A 34 GLN N . 17704 1 336 . 1 1 31 31 PRO HA H 1 4.322 0.0 . 1 . . . A 35 PRO HA . 17704 1 337 . 1 1 31 31 PRO HB2 H 1 1.832 0.0 . 2 . . . A 35 PRO HB2 . 17704 1 338 . 1 1 31 31 PRO HB3 H 1 2.2 0.0 . 2 . . . A 35 PRO HB3 . 17704 1 339 . 1 1 31 31 PRO HG2 H 1 1.915 0.0 . 2 . . . A 35 PRO HG2 . 17704 1 340 . 1 1 31 31 PRO HG3 H 1 1.915 0.0 . 2 . . . A 35 PRO HG3 . 17704 1 341 . 1 1 31 31 PRO HD2 H 1 3.485 0.0 . 2 . . . A 35 PRO HD2 . 17704 1 342 . 1 1 31 31 PRO HD3 H 1 3.627 0.0 . 2 . . . A 35 PRO HD3 . 17704 1 343 . 1 1 31 31 PRO CA C 13 60.993 0.0 . 1 . . . A 35 PRO CA . 17704 1 344 . 1 1 31 31 PRO CB C 13 29.496 0.0 . 1 . . . A 35 PRO CB . 17704 1 345 . 1 1 31 31 PRO CG C 13 24.627 0.0 . 1 . . . A 35 PRO CG . 17704 1 346 . 1 1 31 31 PRO CD C 13 47.997 0.0 . 1 . . . A 35 PRO CD . 17704 1 347 . 1 1 32 32 SER H H 1 8.38 0.0 . 1 . . . A 36 SER H . 17704 1 348 . 1 1 32 32 SER HA H 1 4.531 0.0 . 1 . . . A 36 SER HA . 17704 1 349 . 1 1 32 32 SER HB2 H 1 3.802 0.0 . 2 . . . A 36 SER HB2 . 17704 1 350 . 1 1 32 32 SER HB3 H 1 3.634 0.0 . 2 . . . A 36 SER HB3 . 17704 1 351 . 1 1 32 32 SER CA C 13 52.9 0.0 . 1 . . . A 36 SER CA . 17704 1 352 . 1 1 32 32 SER CB C 13 60.56 0.0 . 1 . . . A 36 SER CB . 17704 1 353 . 1 1 32 32 SER N N 15 113.5 0.0 . 1 . . . A 36 SER N . 17704 1 354 . 1 1 33 33 PRO HA H 1 4.415 0.0 . 1 . . . A 37 PRO HA . 17704 1 355 . 1 1 33 33 PRO HB2 H 1 1.908 0.0 . 2 . . . A 37 PRO HB2 . 17704 1 356 . 1 1 33 33 PRO HB3 H 1 1.641 0.0 . 2 . . . A 37 PRO HB3 . 17704 1 357 . 1 1 33 33 PRO HG2 H 1 1.823 0.0 . 2 . . . A 37 PRO HG2 . 17704 1 358 . 1 1 33 33 PRO HG3 H 1 1.923 0.0 . 2 . . . A 37 PRO HG3 . 17704 1 359 . 1 1 33 33 PRO HD2 H 1 3.633 0.0 . 2 . . . A 37 PRO HD2 . 17704 1 360 . 1 1 33 33 PRO HD3 H 1 3.514 0.0 . 2 . . . A 37 PRO HD3 . 17704 1 361 . 1 1 33 33 PRO C C 13 173.771 0.0 . 1 . . . A 37 PRO C . 17704 1 362 . 1 1 33 33 PRO CA C 13 59.508 0.0 . 1 . . . A 37 PRO CA . 17704 1 363 . 1 1 33 33 PRO CB C 13 29.625 0.0 . 1 . . . A 37 PRO CB . 17704 1 364 . 1 1 33 33 PRO CG C 13 24.127 0.0 . 1 . . . A 37 PRO CG . 17704 1 365 . 1 1 33 33 PRO CD C 13 47.251 0.0 . 1 . . . A 37 PRO CD . 17704 1 366 . 1 1 34 34 GLN H H 1 8.636 0.0 . 1 . . . A 38 GLN H . 17704 1 367 . 1 1 34 34 GLN HA H 1 4.368 0.0 . 1 . . . A 38 GLN HA . 17704 1 368 . 1 1 34 34 GLN HB2 H 1 1.915 0.0 . 2 . . . A 38 GLN HB2 . 17704 1 369 . 1 1 34 34 GLN HB3 H 1 1.975 0.0 . 2 . . . A 38 GLN HB3 . 17704 1 370 . 1 1 34 34 GLN HG2 H 1 2.204 0.0 . 2 . . . A 38 GLN HG2 . 17704 1 371 . 1 1 34 34 GLN HG3 H 1 2.143 0.0 . 2 . . . A 38 GLN HG3 . 17704 1 372 . 1 1 34 34 GLN C C 13 171.59 0.0 . 1 . . . A 38 GLN C . 17704 1 373 . 1 1 34 34 GLN CA C 13 52.76 0.0 . 1 . . . A 38 GLN CA . 17704 1 374 . 1 1 34 34 GLN CB C 13 26.75 0.0 . 1 . . . A 38 GLN CB . 17704 1 375 . 1 1 34 34 GLN CG C 13 31.53 0.0 . 1 . . . A 38 GLN CG . 17704 1 376 . 1 1 34 34 GLN N N 15 122.4 0.0 . 1 . . . A 38 GLN N . 17704 1 377 . 1 1 35 35 ILE H H 1 8.175 0.0 . 1 . . . A 39 ILE H . 17704 1 378 . 1 1 35 35 ILE HA H 1 4.736 0.0 . 1 . . . A 39 ILE HA . 17704 1 379 . 1 1 35 35 ILE HB H 1 1.456 0.0 . 1 . . . A 39 ILE HB . 17704 1 380 . 1 1 35 35 ILE HG12 H 1 0.915 0.0 . 2 . . . A 39 ILE HG12 . 17704 1 381 . 1 1 35 35 ILE HG13 H 1 1.084 0.0 . 2 . . . A 39 ILE HG13 . 17704 1 382 . 1 1 35 35 ILE HG21 H 1 0.289 0.0 . 1 . . . A 39 ILE HG21 . 17704 1 383 . 1 1 35 35 ILE HG22 H 1 0.289 0.0 . 1 . . . A 39 ILE HG22 . 17704 1 384 . 1 1 35 35 ILE HG23 H 1 0.289 0.0 . 1 . . . A 39 ILE HG23 . 17704 1 385 . 1 1 35 35 ILE HD11 H 1 0.557 0.0 . 1 . . . A 39 ILE HD11 . 17704 1 386 . 1 1 35 35 ILE HD12 H 1 0.557 0.0 . 1 . . . A 39 ILE HD12 . 17704 1 387 . 1 1 35 35 ILE HD13 H 1 0.557 0.0 . 1 . . . A 39 ILE HD13 . 17704 1 388 . 1 1 35 35 ILE C C 13 171.615 0.0 . 1 . . . A 39 ILE C . 17704 1 389 . 1 1 35 35 ILE CA C 13 56.572 0.0 . 1 . . . A 39 ILE CA . 17704 1 390 . 1 1 35 35 ILE CB C 13 36.628 0.0 . 1 . . . A 39 ILE CB . 17704 1 391 . 1 1 35 35 ILE CG1 C 13 24.87 0.0 . 1 . . . A 39 ILE CG1 . 17704 1 392 . 1 1 35 35 ILE CG2 C 13 16.486 0.0 . 1 . . . A 39 ILE CG2 . 17704 1 393 . 1 1 35 35 ILE CD1 C 13 10.125 0.0 . 1 . . . A 39 ILE CD1 . 17704 1 394 . 1 1 35 35 ILE N N 15 127.4 0.0 . 1 . . . A 39 ILE N . 17704 1 395 . 1 1 36 36 HIS H H 1 8.442 0.0 . 1 . . . A 40 HIS H . 17704 1 396 . 1 1 36 36 HIS HA H 1 5.033 0.0 . 1 . . . A 40 HIS HA . 17704 1 397 . 1 1 36 36 HIS HB2 H 1 3.009 0.0 . 2 . . . A 40 HIS HB2 . 17704 1 398 . 1 1 36 36 HIS HB3 H 1 3.009 0.0 . 2 . . . A 40 HIS HB3 . 17704 1 399 . 1 1 36 36 HIS C C 13 171.204 0.0 . 1 . . . A 40 HIS C . 17704 1 400 . 1 1 36 36 HIS CA C 13 51.643 0.0 . 1 . . . A 40 HIS CA . 17704 1 401 . 1 1 36 36 HIS CB C 13 30.135 0.0 . 1 . . . A 40 HIS CB . 17704 1 402 . 1 1 36 36 HIS N N 15 121.5 0.0 . 1 . . . A 40 HIS N . 17704 1 403 . 1 1 37 37 TRP H H 1 8.66 0.0 . 1 . . . A 41 TRP H . 17704 1 404 . 1 1 37 37 TRP HA H 1 4.837 0.0 . 1 . . . A 41 TRP HA . 17704 1 405 . 1 1 37 37 TRP HB2 H 1 2.97 0.0 . 2 . . . A 41 TRP HB2 . 17704 1 406 . 1 1 37 37 TRP HB3 H 1 3.21 0.0 . 2 . . . A 41 TRP HB3 . 17704 1 407 . 1 1 37 37 TRP C C 13 173.299 0.0 . 1 . . . A 41 TRP C . 17704 1 408 . 1 1 37 37 TRP CA C 13 54.585 0.0 . 1 . . . A 41 TRP CA . 17704 1 409 . 1 1 37 37 TRP CB C 13 30.564 0.0 . 1 . . . A 41 TRP CB . 17704 1 410 . 1 1 37 37 TRP N N 15 120.7 0.0 . 1 . . . A 41 TRP N . 17704 1 411 . 1 1 38 38 MET H H 1 9.134 0.0 . 1 . . . A 42 MET H . 17704 1 412 . 1 1 38 38 MET HA H 1 4.994 0.0 . 1 . . . A 42 MET HA . 17704 1 413 . 1 1 38 38 MET HB2 H 1 1.337 0.0 . 2 . . . A 42 MET HB2 . 17704 1 414 . 1 1 38 38 MET HB3 H 1 2.14 0.0 . 2 . . . A 42 MET HB3 . 17704 1 415 . 1 1 38 38 MET HG2 H 1 2.131 0.0 . 2 . . . A 42 MET HG2 . 17704 1 416 . 1 1 38 38 MET HG3 H 1 1.912 0.0 . 2 . . . A 42 MET HG3 . 17704 1 417 . 1 1 38 38 MET C C 13 171.9 0.0 . 1 . . . A 42 MET C . 17704 1 418 . 1 1 38 38 MET CA C 13 50.548 0.0 . 1 . . . A 42 MET CA . 17704 1 419 . 1 1 38 38 MET CB C 13 32.866 0.0 . 1 . . . A 42 MET CB . 17704 1 420 . 1 1 38 38 MET CG C 13 29.357 0.0 . 1 . . . A 42 MET CG . 17704 1 421 . 1 1 38 38 MET N N 15 121.1 0.0 . 1 . . . A 42 MET N . 17704 1 422 . 1 1 39 39 LYS H H 1 8.506 0.0 . 1 . . . A 43 LYS H . 17704 1 423 . 1 1 39 39 LYS HA H 1 4.607 0.0 . 1 . . . A 43 LYS HA . 17704 1 424 . 1 1 39 39 LYS HB2 H 1 1.12 0.0 . 2 . . . A 43 LYS HB2 . 17704 1 425 . 1 1 39 39 LYS HB3 H 1 1.474 0.0 . 2 . . . A 43 LYS HB3 . 17704 1 426 . 1 1 39 39 LYS HG2 H 1 0.727 0.0 . 2 . . . A 43 LYS HG2 . 17704 1 427 . 1 1 39 39 LYS HG3 H 1 0.016 0.0 . 2 . . . A 43 LYS HG3 . 17704 1 428 . 1 1 39 39 LYS HD2 H 1 1.458 0.0 . 2 . . . A 43 LYS HD2 . 17704 1 429 . 1 1 39 39 LYS HD3 H 1 1.356 0.0 . 2 . . . A 43 LYS HD3 . 17704 1 430 . 1 1 39 39 LYS HE2 H 1 2.871 0.0 . 2 . . . A 43 LYS HE2 . 17704 1 431 . 1 1 39 39 LYS HE3 H 1 2.513 0.0 . 2 . . . A 43 LYS HE3 . 17704 1 432 . 1 1 39 39 LYS C C 13 174.126 0.0 . 1 . . . A 43 LYS C . 17704 1 433 . 1 1 39 39 LYS CA C 13 51.438 0.0 . 1 . . . A 43 LYS CA . 17704 1 434 . 1 1 39 39 LYS CB C 13 33.619 0.0 . 1 . . . A 43 LYS CB . 17704 1 435 . 1 1 39 39 LYS CG C 13 22.747 0.0 . 1 . . . A 43 LYS CG . 17704 1 436 . 1 1 39 39 LYS CD C 13 27.007 0.0 . 1 . . . A 43 LYS CD . 17704 1 437 . 1 1 39 39 LYS CE C 13 40.735 0.0 . 1 . . . A 43 LYS CE . 17704 1 438 . 1 1 39 39 LYS N N 15 120.0 0.0 . 1 . . . A 43 LYS N . 17704 1 439 . 1 1 40 40 ASP H H 1 9.789 0.0 . 1 . . . A 44 ASP H . 17704 1 440 . 1 1 40 40 ASP HA H 1 4.112 0.0 . 1 . . . A 44 ASP HA . 17704 1 441 . 1 1 40 40 ASP HB2 H 1 2.612 0.0 . 2 . . . A 44 ASP HB2 . 17704 1 442 . 1 1 40 40 ASP HB3 H 1 2.747 0.0 . 2 . . . A 44 ASP HB3 . 17704 1 443 . 1 1 40 40 ASP C C 13 173.47 0.0 . 1 . . . A 44 ASP C . 17704 1 444 . 1 1 40 40 ASP CA C 13 53.1 0.0 . 1 . . . A 44 ASP CA . 17704 1 445 . 1 1 40 40 ASP CB C 13 37.184 0.0 . 1 . . . A 44 ASP CB . 17704 1 446 . 1 1 40 40 ASP N N 15 128.5 0.0 . 1 . . . A 44 ASP N . 17704 1 447 . 1 1 41 41 GLY H H 1 8.057 0.0 . 1 . . . A 45 GLY H . 17704 1 448 . 1 1 41 41 GLY HA2 H 1 3.991 0.0 . 2 . . . A 45 GLY HA2 . 17704 1 449 . 1 1 41 41 GLY HA3 H 1 3.501 0.0 . 2 . . . A 45 GLY HA3 . 17704 1 450 . 1 1 41 41 GLY C C 13 170.997 0.0 . 1 . . . A 45 GLY C . 17704 1 451 . 1 1 41 41 GLY CA C 13 42.273 0.0 . 1 . . . A 45 GLY CA . 17704 1 452 . 1 1 41 41 GLY N N 15 100.9 0.0 . 1 . . . A 45 GLY N . 17704 1 453 . 1 1 42 42 VAL H H 1 7.708 0.0 . 1 . . . A 46 VAL H . 17704 1 454 . 1 1 42 42 VAL HA H 1 4.553 0.0 . 1 . . . A 46 VAL HA . 17704 1 455 . 1 1 42 42 VAL HB H 1 2.062 0.0 . 1 . . . A 46 VAL HB . 17704 1 456 . 1 1 42 42 VAL HG11 H 1 0.933 0.0 . 2 . . . A 46 VAL HG11 . 17704 1 457 . 1 1 42 42 VAL HG12 H 1 0.933 0.0 . 2 . . . A 46 VAL HG12 . 17704 1 458 . 1 1 42 42 VAL HG13 H 1 0.933 0.0 . 2 . . . A 46 VAL HG13 . 17704 1 459 . 1 1 42 42 VAL HG21 H 1 0.823 0.0 . 2 . . . A 46 VAL HG21 . 17704 1 460 . 1 1 42 42 VAL HG22 H 1 0.823 0.0 . 2 . . . A 46 VAL HG22 . 17704 1 461 . 1 1 42 42 VAL HG23 H 1 0.823 0.0 . 2 . . . A 46 VAL HG23 . 17704 1 462 . 1 1 42 42 VAL C C 13 170.902 0.0 . 1 . . . A 46 VAL C . 17704 1 463 . 1 1 42 42 VAL CA C 13 56.358 0.0 . 1 . . . A 46 VAL CA . 17704 1 464 . 1 1 42 42 VAL CB C 13 32.123 0.0 . 1 . . . A 46 VAL CB . 17704 1 465 . 1 1 42 42 VAL CG1 C 13 18.116 0.0 . 2 . . . A 46 VAL CG1 . 17704 1 466 . 1 1 42 42 VAL CG2 C 13 17.996 0.0 . 2 . . . A 46 VAL CG2 . 17704 1 467 . 1 1 42 42 VAL N N 15 120.8 0.0 . 1 . . . A 46 VAL N . 17704 1 468 . 1 1 43 43 PRO HA H 1 4.957 0.0 . 1 . . . A 47 PRO HA . 17704 1 469 . 1 1 43 43 PRO HB2 H 1 2.159 0.0 . 2 . . . A 47 PRO HB2 . 17704 1 470 . 1 1 43 43 PRO HB3 H 1 1.787 0.0 . 2 . . . A 47 PRO HB3 . 17704 1 471 . 1 1 43 43 PRO HG2 H 1 1.783 0.0 . 2 . . . A 47 PRO HG2 . 17704 1 472 . 1 1 43 43 PRO HG3 H 1 2.026 0.0 . 2 . . . A 47 PRO HG3 . 17704 1 473 . 1 1 43 43 PRO HD2 H 1 3.652 0.0 . 2 . . . A 47 PRO HD2 . 17704 1 474 . 1 1 43 43 PRO HD3 H 1 3.707 0.0 . 2 . . . A 47 PRO HD3 . 17704 1 475 . 1 1 43 43 PRO CA C 13 60.5 0.0 . 1 . . . A 47 PRO CA . 17704 1 476 . 1 1 43 43 PRO CB C 13 29.374 0.0 . 1 . . . A 47 PRO CB . 17704 1 477 . 1 1 43 43 PRO CG C 13 25.117 0.0 . 1 . . . A 47 PRO CG . 17704 1 478 . 1 1 43 43 PRO CD C 13 48.691 0.0 . 1 . . . A 47 PRO CD . 17704 1 479 . 1 1 44 44 LEU H H 1 8.584 0.0 . 1 . . . A 48 LEU H . 17704 1 480 . 1 1 44 44 LEU HA H 1 4.652 0.0 . 1 . . . A 48 LEU HA . 17704 1 481 . 1 1 44 44 LEU HB2 H 1 1.742 0.0 . 2 . . . A 48 LEU HB2 . 17704 1 482 . 1 1 44 44 LEU HB3 H 1 1.392 0.0 . 2 . . . A 48 LEU HB3 . 17704 1 483 . 1 1 44 44 LEU HG H 1 1.671 0.0 . 1 . . . A 48 LEU HG . 17704 1 484 . 1 1 44 44 LEU HD11 H 1 0.998 0.0 . 2 . . . A 48 LEU HD11 . 17704 1 485 . 1 1 44 44 LEU HD12 H 1 0.998 0.0 . 2 . . . A 48 LEU HD12 . 17704 1 486 . 1 1 44 44 LEU HD13 H 1 0.998 0.0 . 2 . . . A 48 LEU HD13 . 17704 1 487 . 1 1 44 44 LEU HD21 H 1 0.963 0.0 . 2 . . . A 48 LEU HD21 . 17704 1 488 . 1 1 44 44 LEU HD22 H 1 0.963 0.0 . 2 . . . A 48 LEU HD22 . 17704 1 489 . 1 1 44 44 LEU HD23 H 1 0.963 0.0 . 2 . . . A 48 LEU HD23 . 17704 1 490 . 1 1 44 44 LEU CA C 13 49.702 0.0 . 1 . . . A 48 LEU CA . 17704 1 491 . 1 1 44 44 LEU CB C 13 39.742 0.0 . 1 . . . A 48 LEU CB . 17704 1 492 . 1 1 44 44 LEU CG C 13 29.742 0.0 . 1 . . . A 48 LEU CG . 17704 1 493 . 1 1 44 44 LEU CD1 C 13 24.866 0.0 . 2 . . . A 48 LEU CD1 . 17704 1 494 . 1 1 44 44 LEU CD2 C 13 23.616 0.0 . 2 . . . A 48 LEU CD2 . 17704 1 495 . 1 1 44 44 LEU N N 15 125.6 0.0 . 1 . . . A 48 LEU N . 17704 1 496 . 1 1 45 45 PRO HA H 1 4.791 0.0 . 1 . . . A 49 PRO HA . 17704 1 497 . 1 1 45 45 PRO HB2 H 1 1.814 0.0 . 2 . . . A 49 PRO HB2 . 17704 1 498 . 1 1 45 45 PRO HB3 H 1 2.303 0.0 . 2 . . . A 49 PRO HB3 . 17704 1 499 . 1 1 45 45 PRO HG2 H 1 2.082 0.0 . 2 . . . A 49 PRO HG2 . 17704 1 500 . 1 1 45 45 PRO HG3 H 1 1.922 0.0 . 2 . . . A 49 PRO HG3 . 17704 1 501 . 1 1 45 45 PRO HD2 H 1 3.652 0.0 . 2 . . . A 49 PRO HD2 . 17704 1 502 . 1 1 45 45 PRO HD3 H 1 3.732 0.0 . 2 . . . A 49 PRO HD3 . 17704 1 503 . 1 1 45 45 PRO CA C 13 59.995 0.0 . 1 . . . A 49 PRO CA . 17704 1 504 . 1 1 45 45 PRO CB C 13 26.501 0.0 . 1 . . . A 49 PRO CB . 17704 1 505 . 1 1 45 45 PRO CG C 13 24.677 0.0 . 1 . . . A 49 PRO CG . 17704 1 506 . 1 1 45 45 PRO CD C 13 47.496 0.0 . 1 . . . A 49 PRO CD . 17704 1 507 . 1 1 46 46 LEU H H 1 7.811 0.0 . 1 . . . A 50 LEU H . 17704 1 508 . 1 1 46 46 LEU HA H 1 4.818 0.0 . 1 . . . A 50 LEU HA . 17704 1 509 . 1 1 46 46 LEU HB2 H 1 1.476 0.0 . 2 . . . A 50 LEU HB2 . 17704 1 510 . 1 1 46 46 LEU HB3 H 1 1.651 0.0 . 2 . . . A 50 LEU HB3 . 17704 1 511 . 1 1 46 46 LEU HG H 1 1.4 0.0 . 1 . . . A 50 LEU HG . 17704 1 512 . 1 1 46 46 LEU HD11 H 1 0.857 0.0 . 2 . . . A 50 LEU HD11 . 17704 1 513 . 1 1 46 46 LEU HD12 H 1 0.857 0.0 . 2 . . . A 50 LEU HD12 . 17704 1 514 . 1 1 46 46 LEU HD13 H 1 0.857 0.0 . 2 . . . A 50 LEU HD13 . 17704 1 515 . 1 1 46 46 LEU HD21 H 1 0.9 0.0 . 2 . . . A 50 LEU HD21 . 17704 1 516 . 1 1 46 46 LEU HD22 H 1 0.9 0.0 . 2 . . . A 50 LEU HD22 . 17704 1 517 . 1 1 46 46 LEU HD23 H 1 0.9 0.0 . 2 . . . A 50 LEU HD23 . 17704 1 518 . 1 1 46 46 LEU CA C 13 49.32 0.0 . 1 . . . A 50 LEU CA . 17704 1 519 . 1 1 46 46 LEU CB C 13 42.248 0.0 . 1 . . . A 50 LEU CB . 17704 1 520 . 1 1 46 46 LEU CG C 13 24.481 0.0 . 1 . . . A 50 LEU CG . 17704 1 521 . 1 1 46 46 LEU CD1 C 13 23.882 0.0 . 2 . . . A 50 LEU CD1 . 17704 1 522 . 1 1 46 46 LEU N N 15 124.3 0.0 . 1 . . . A 50 LEU N . 17704 1 523 . 1 1 47 47 PRO HA H 1 5.41 0.0 . 1 . . . A 51 PRO HA . 17704 1 524 . 1 1 47 47 PRO HB2 H 1 1.878 0.0 . 2 . . . A 51 PRO HB2 . 17704 1 525 . 1 1 47 47 PRO HB3 H 1 2.391 0.0 . 2 . . . A 51 PRO HB3 . 17704 1 526 . 1 1 47 47 PRO HG2 H 1 2.012 0.0 . 2 . . . A 51 PRO HG2 . 17704 1 527 . 1 1 47 47 PRO HG3 H 1 2.012 0.0 . 2 . . . A 51 PRO HG3 . 17704 1 528 . 1 1 47 47 PRO HD2 H 1 3.583 0.0 . 2 . . . A 51 PRO HD2 . 17704 1 529 . 1 1 47 47 PRO HD3 H 1 3.802 0.0 . 2 . . . A 51 PRO HD3 . 17704 1 530 . 1 1 47 47 PRO CA C 13 55.573 0.0 . 1 . . . A 51 PRO CA . 17704 1 531 . 1 1 47 47 PRO CB C 13 28.115 0.0 . 1 . . . A 51 PRO CB . 17704 1 532 . 1 1 47 47 PRO CG C 13 24.79 0.0 . 1 . . . A 51 PRO CG . 17704 1 533 . 1 1 47 47 PRO CD C 13 47.856 0.0 . 1 . . . A 51 PRO CD . 17704 1 534 . 1 1 48 48 PRO HA H 1 4.65 0.0 . 1 . . . A 52 PRO HA . 17704 1 535 . 1 1 48 48 PRO HB2 H 1 1.804 0.0 . 2 . . . A 52 PRO HB2 . 17704 1 536 . 1 1 48 48 PRO HB3 H 1 1.804 0.0 . 2 . . . A 52 PRO HB3 . 17704 1 537 . 1 1 48 48 PRO HG2 H 1 1.807 0.0 . 2 . . . A 52 PRO HG2 . 17704 1 538 . 1 1 48 48 PRO HG3 H 1 2.017 0.0 . 2 . . . A 52 PRO HG3 . 17704 1 539 . 1 1 48 48 PRO HD2 H 1 3.763 0.0 . 2 . . . A 52 PRO HD2 . 17704 1 540 . 1 1 48 48 PRO HD3 H 1 3.613 0.0 . 2 . . . A 52 PRO HD3 . 17704 1 541 . 1 1 48 48 PRO CA C 13 61.2 0.0 . 1 . . . A 52 PRO CA . 17704 1 542 . 1 1 48 48 PRO CB C 13 29.389 0.0 . 1 . . . A 52 PRO CB . 17704 1 543 . 1 1 48 48 PRO CG C 13 24.903 0.0 . 1 . . . A 52 PRO CG . 17704 1 544 . 1 1 48 48 PRO CD C 13 47.748 0.0 . 1 . . . A 52 PRO CD . 17704 1 545 . 1 1 49 49 SER H H 1 8.098 0.0 . 1 . . . A 53 SER H . 17704 1 546 . 1 1 49 49 SER HA H 1 4.908 0.0 . 1 . . . A 53 SER HA . 17704 1 547 . 1 1 49 49 SER HB2 H 1 4.207 0.0 . 2 . . . A 53 SER HB2 . 17704 1 548 . 1 1 49 49 SER HB3 H 1 3.79 0.0 . 2 . . . A 53 SER HB3 . 17704 1 549 . 1 1 49 49 SER CA C 13 53.155 0.0 . 1 . . . A 53 SER CA . 17704 1 550 . 1 1 49 49 SER CB C 13 62.876 0.0 . 1 . . . A 53 SER CB . 17704 1 551 . 1 1 49 49 SER N N 15 117.5 0.0 . 1 . . . A 53 SER N . 17704 1 552 . 1 1 50 50 PRO HA H 1 4.514 0.0 . 1 . . . A 54 PRO HA . 17704 1 553 . 1 1 50 50 PRO HB2 H 1 2.329 0.0 . 2 . . . A 54 PRO HB2 . 17704 1 554 . 1 1 50 50 PRO HB3 H 1 2.211 0.0 . 2 . . . A 54 PRO HB3 . 17704 1 555 . 1 1 50 50 PRO HG2 H 1 2.024 0.0 . 2 . . . A 54 PRO HG2 . 17704 1 556 . 1 1 50 50 PRO HG3 H 1 2.024 0.0 . 2 . . . A 54 PRO HG3 . 17704 1 557 . 1 1 50 50 PRO HD2 H 1 3.862 0.0 . 2 . . . A 54 PRO HD2 . 17704 1 558 . 1 1 50 50 PRO HD3 H 1 3.928 0.0 . 2 . . . A 54 PRO HD3 . 17704 1 559 . 1 1 50 50 PRO C C 13 171.241 0.0 . 1 . . . A 54 PRO C . 17704 1 560 . 1 1 50 50 PRO CA C 13 61.269 0.0 . 1 . . . A 54 PRO CA . 17704 1 561 . 1 1 50 50 PRO CB C 13 29.756 0.0 . 1 . . . A 54 PRO CB . 17704 1 562 . 1 1 50 50 PRO CG C 13 24.684 0.0 . 1 . . . A 54 PRO CG . 17704 1 563 . 1 1 50 50 PRO CD C 13 48.265 0.0 . 1 . . . A 54 PRO CD . 17704 1 564 . 1 1 51 51 VAL H H 1 7.464 0.0 . 1 . . . A 55 VAL H . 17704 1 565 . 1 1 51 51 VAL HA H 1 5.137 0.0 . 1 . . . A 55 VAL HA . 17704 1 566 . 1 1 51 51 VAL HB H 1 1.696 0.0 . 1 . . . A 55 VAL HB . 17704 1 567 . 1 1 51 51 VAL HG11 H 1 0.831 0.0 . 2 . . . A 55 VAL HG11 . 17704 1 568 . 1 1 51 51 VAL HG12 H 1 0.831 0.0 . 2 . . . A 55 VAL HG12 . 17704 1 569 . 1 1 51 51 VAL HG13 H 1 0.831 0.0 . 2 . . . A 55 VAL HG13 . 17704 1 570 . 1 1 51 51 VAL HG21 H 1 0.684 0.0 . 2 . . . A 55 VAL HG21 . 17704 1 571 . 1 1 51 51 VAL HG22 H 1 0.684 0.0 . 2 . . . A 55 VAL HG22 . 17704 1 572 . 1 1 51 51 VAL HG23 H 1 0.684 0.0 . 2 . . . A 55 VAL HG23 . 17704 1 573 . 1 1 51 51 VAL C C 13 171.63 0.0 . 1 . . . A 55 VAL C . 17704 1 574 . 1 1 51 51 VAL CA C 13 57.151 0.0 . 1 . . . A 55 VAL CA . 17704 1 575 . 1 1 51 51 VAL CB C 13 33.003 0.0 . 1 . . . A 55 VAL CB . 17704 1 576 . 1 1 51 51 VAL CG1 C 13 18.736 0.0 . 2 . . . A 55 VAL CG1 . 17704 1 577 . 1 1 51 51 VAL CG2 C 13 18.24 0.0 . 2 . . . A 55 VAL CG2 . 17704 1 578 . 1 1 51 51 VAL N N 15 115.1 0.0 . 1 . . . A 55 VAL N . 17704 1 579 . 1 1 52 52 LEU H H 1 8.984 0.0 . 1 . . . A 56 LEU H . 17704 1 580 . 1 1 52 52 LEU HA H 1 4.029 0.0 . 1 . . . A 56 LEU HA . 17704 1 581 . 1 1 52 52 LEU HB2 H 1 0.997 0.0 . 2 . . . A 56 LEU HB2 . 17704 1 582 . 1 1 52 52 LEU HB3 H 1 0.108 0.0 . 2 . . . A 56 LEU HB3 . 17704 1 583 . 1 1 52 52 LEU HG H 1 0.566 0.0 . 1 . . . A 56 LEU HG . 17704 1 584 . 1 1 52 52 LEU HD11 H 1 0.395 0.0 . 2 . . . A 56 LEU HD11 . 17704 1 585 . 1 1 52 52 LEU HD12 H 1 0.395 0.0 . 2 . . . A 56 LEU HD12 . 17704 1 586 . 1 1 52 52 LEU HD13 H 1 0.395 0.0 . 2 . . . A 56 LEU HD13 . 17704 1 587 . 1 1 52 52 LEU HD21 H 1 0.173 0.0 . 2 . . . A 56 LEU HD21 . 17704 1 588 . 1 1 52 52 LEU HD22 H 1 0.173 0.0 . 2 . . . A 56 LEU HD22 . 17704 1 589 . 1 1 52 52 LEU HD23 H 1 0.173 0.0 . 2 . . . A 56 LEU HD23 . 17704 1 590 . 1 1 52 52 LEU C C 13 170.565 0.0 . 1 . . . A 56 LEU C . 17704 1 591 . 1 1 52 52 LEU CA C 13 51.132 0.0 . 1 . . . A 56 LEU CA . 17704 1 592 . 1 1 52 52 LEU CB C 13 39.124 0.0 . 1 . . . A 56 LEU CB . 17704 1 593 . 1 1 52 52 LEU CG C 13 24.003 0.0 . 1 . . . A 56 LEU CG . 17704 1 594 . 1 1 52 52 LEU CD1 C 13 20.497 0.0 . 2 . . . A 56 LEU CD1 . 17704 1 595 . 1 1 52 52 LEU CD2 C 13 23.127 0.0 . 2 . . . A 56 LEU CD2 . 17704 1 596 . 1 1 52 52 LEU N N 15 131.6 0.0 . 1 . . . A 56 LEU N . 17704 1 597 . 1 1 53 53 ILE H H 1 8.08 0.0 . 1 . . . A 57 ILE H . 17704 1 598 . 1 1 53 53 ILE HA H 1 4.368 0.0 . 1 . . . A 57 ILE HA . 17704 1 599 . 1 1 53 53 ILE HB H 1 1.402 0.0 . 1 . . . A 57 ILE HB . 17704 1 600 . 1 1 53 53 ILE HG12 H 1 0.805 0.0 . 2 . . . A 57 ILE HG12 . 17704 1 601 . 1 1 53 53 ILE HG13 H 1 1.291 0.0 . 2 . . . A 57 ILE HG13 . 17704 1 602 . 1 1 53 53 ILE HG21 H 1 0.52 0.0 . 1 . . . A 57 ILE HG21 . 17704 1 603 . 1 1 53 53 ILE HG22 H 1 0.52 0.0 . 1 . . . A 57 ILE HG22 . 17704 1 604 . 1 1 53 53 ILE HG23 H 1 0.52 0.0 . 1 . . . A 57 ILE HG23 . 17704 1 605 . 1 1 53 53 ILE HD11 H 1 0.648 0.0 . 1 . . . A 57 ILE HD11 . 17704 1 606 . 1 1 53 53 ILE HD12 H 1 0.648 0.0 . 1 . . . A 57 ILE HD12 . 17704 1 607 . 1 1 53 53 ILE HD13 H 1 0.648 0.0 . 1 . . . A 57 ILE HD13 . 17704 1 608 . 1 1 53 53 ILE C C 13 172.369 0.0 . 1 . . . A 57 ILE C . 17704 1 609 . 1 1 53 53 ILE CA C 13 57.3 0.0 . 1 . . . A 57 ILE CA . 17704 1 610 . 1 1 53 53 ILE CB C 13 37.013 0.0 . 1 . . . A 57 ILE CB . 17704 1 611 . 1 1 53 53 ILE CG1 C 13 25.626 0.0 . 1 . . . A 57 ILE CG1 . 17704 1 612 . 1 1 53 53 ILE CG2 C 13 14.563 0.0 . 1 . . . A 57 ILE CG2 . 17704 1 613 . 1 1 53 53 ILE CD1 C 13 10.873 0.0 . 1 . . . A 57 ILE CD1 . 17704 1 614 . 1 1 53 53 ILE N N 15 126.4 0.0 . 1 . . . A 57 ILE N . 17704 1 615 . 1 1 54 54 LEU H H 1 8.779 0.0 . 1 . . . A 58 LEU H . 17704 1 616 . 1 1 54 54 LEU HA H 1 4.711 0.0 . 1 . . . A 58 LEU HA . 17704 1 617 . 1 1 54 54 LEU HB2 H 1 1.011 0.0 . 2 . . . A 58 LEU HB2 . 17704 1 618 . 1 1 54 54 LEU HB3 H 1 1.676 0.0 . 2 . . . A 58 LEU HB3 . 17704 1 619 . 1 1 54 54 LEU HG H 1 0.982 0.0 . 1 . . . A 58 LEU HG . 17704 1 620 . 1 1 54 54 LEU HD11 H 1 0.559 0.0 . 2 . . . A 58 LEU HD11 . 17704 1 621 . 1 1 54 54 LEU HD12 H 1 0.559 0.0 . 2 . . . A 58 LEU HD12 . 17704 1 622 . 1 1 54 54 LEU HD13 H 1 0.559 0.0 . 2 . . . A 58 LEU HD13 . 17704 1 623 . 1 1 54 54 LEU HD21 H 1 0.206 0.0 . 2 . . . A 58 LEU HD21 . 17704 1 624 . 1 1 54 54 LEU HD22 H 1 0.206 0.0 . 2 . . . A 58 LEU HD22 . 17704 1 625 . 1 1 54 54 LEU HD23 H 1 0.206 0.0 . 2 . . . A 58 LEU HD23 . 17704 1 626 . 1 1 54 54 LEU C C 13 170.696 0.0 . 1 . . . A 58 LEU C . 17704 1 627 . 1 1 54 54 LEU CA C 13 48.102 0.0 . 1 . . . A 58 LEU CA . 17704 1 628 . 1 1 54 54 LEU CB C 13 39.113 0.0 . 1 . . . A 58 LEU CB . 17704 1 629 . 1 1 54 54 LEU CG C 13 23.566 0.0 . 1 . . . A 58 LEU CG . 17704 1 630 . 1 1 54 54 LEU CD1 C 13 20.505 0.0 . 2 . . . A 58 LEU CD1 . 17704 1 631 . 1 1 54 54 LEU CD2 C 13 22.996 0.0 . 2 . . . A 58 LEU CD2 . 17704 1 632 . 1 1 54 54 LEU N N 15 128.9 0.0 . 1 . . . A 58 LEU N . 17704 1 633 . 1 1 55 55 PRO HA H 1 4.565 0.0 . 1 . . . A 59 PRO HA . 17704 1 634 . 1 1 55 55 PRO HB2 H 1 1.779 0.0 . 2 . . . A 59 PRO HB2 . 17704 1 635 . 1 1 55 55 PRO HB3 H 1 1.944 0.0 . 2 . . . A 59 PRO HB3 . 17704 1 636 . 1 1 55 55 PRO HG2 H 1 1.797 0.0 . 2 . . . A 59 PRO HG2 . 17704 1 637 . 1 1 55 55 PRO HG3 H 1 1.878 0.0 . 2 . . . A 59 PRO HG3 . 17704 1 638 . 1 1 55 55 PRO HD2 H 1 3.627 0.0 . 2 . . . A 59 PRO HD2 . 17704 1 639 . 1 1 55 55 PRO HD3 H 1 3.659 0.0 . 2 . . . A 59 PRO HD3 . 17704 1 640 . 1 1 55 55 PRO C C 13 173.995 0.0 . 1 . . . A 59 PRO C . 17704 1 641 . 1 1 55 55 PRO CA C 13 59.55 0.0 . 1 . . . A 59 PRO CA . 17704 1 642 . 1 1 55 55 PRO CB C 13 30.003 0.0 . 1 . . . A 59 PRO CB . 17704 1 643 . 1 1 55 55 PRO CG C 13 23.621 0.0 . 1 . . . A 59 PRO CG . 17704 1 644 . 1 1 55 55 PRO CD C 13 47.737 0.0 . 1 . . . A 59 PRO CD . 17704 1 645 . 1 1 56 56 GLU H H 1 7.723 0.0 . 1 . . . A 60 GLU H . 17704 1 646 . 1 1 56 56 GLU HA H 1 3.66 0.0 . 1 . . . A 60 GLU HA . 17704 1 647 . 1 1 56 56 GLU HB2 H 1 1.841 0.0 . 2 . . . A 60 GLU HB2 . 17704 1 648 . 1 1 56 56 GLU HB3 H 1 1.772 0.0 . 2 . . . A 60 GLU HB3 . 17704 1 649 . 1 1 56 56 GLU HG2 H 1 2.025 0.0 . 2 . . . A 60 GLU HG2 . 17704 1 650 . 1 1 56 56 GLU HG3 H 1 2.025 0.0 . 2 . . . A 60 GLU HG3 . 17704 1 651 . 1 1 56 56 GLU C C 13 173.743 0.0 . 1 . . . A 60 GLU C . 17704 1 652 . 1 1 56 56 GLU CA C 13 52.311 0.0 . 1 . . . A 60 GLU CA . 17704 1 653 . 1 1 56 56 GLU CB C 13 26.124 0.0 . 1 . . . A 60 GLU CB . 17704 1 654 . 1 1 56 56 GLU CG C 13 34.117 0.0 . 1 . . . A 60 GLU CG . 17704 1 655 . 1 1 56 56 GLU N N 15 118.7 0.0 . 1 . . . A 60 GLU N . 17704 1 656 . 1 1 57 57 ILE H H 1 8.416 0.0 . 1 . . . A 61 ILE H . 17704 1 657 . 1 1 57 57 ILE HA H 1 3.753 0.0 . 1 . . . A 61 ILE HA . 17704 1 658 . 1 1 57 57 ILE HB H 1 1.594 0.0 . 1 . . . A 61 ILE HB . 17704 1 659 . 1 1 57 57 ILE HG12 H 1 1.144 0.0 . 2 . . . A 61 ILE HG12 . 17704 1 660 . 1 1 57 57 ILE HG13 H 1 1.245 0.0 . 2 . . . A 61 ILE HG13 . 17704 1 661 . 1 1 57 57 ILE HG21 H 1 0.561 0.0 . 1 . . . A 61 ILE HG21 . 17704 1 662 . 1 1 57 57 ILE HG22 H 1 0.561 0.0 . 1 . . . A 61 ILE HG22 . 17704 1 663 . 1 1 57 57 ILE HG23 H 1 0.561 0.0 . 1 . . . A 61 ILE HG23 . 17704 1 664 . 1 1 57 57 ILE HD11 H 1 0.445 0.0 . 1 . . . A 61 ILE HD11 . 17704 1 665 . 1 1 57 57 ILE HD12 H 1 0.445 0.0 . 1 . . . A 61 ILE HD12 . 17704 1 666 . 1 1 57 57 ILE HD13 H 1 0.445 0.0 . 1 . . . A 61 ILE HD13 . 17704 1 667 . 1 1 57 57 ILE C C 13 173.517 0.0 . 1 . . . A 61 ILE C . 17704 1 668 . 1 1 57 57 ILE CA C 13 60.243 0.0 . 1 . . . A 61 ILE CA . 17704 1 669 . 1 1 57 57 ILE CB C 13 35.751 0.0 . 1 . . . A 61 ILE CB . 17704 1 670 . 1 1 57 57 ILE CG1 C 13 25.628 0.0 . 1 . . . A 61 ILE CG1 . 17704 1 671 . 1 1 57 57 ILE CG2 C 13 14.989 0.0 . 1 . . . A 61 ILE CG2 . 17704 1 672 . 1 1 57 57 ILE CD1 C 13 11.365 0.0 . 1 . . . A 61 ILE CD1 . 17704 1 673 . 1 1 57 57 ILE N N 15 120.2 0.0 . 1 . . . A 61 ILE N . 17704 1 674 . 1 1 58 58 GLY H H 1 8.874 0.0 . 1 . . . A 62 GLY H . 17704 1 675 . 1 1 58 58 GLY HA2 H 1 3.825 0.0 . 2 . . . A 62 GLY HA2 . 17704 1 676 . 1 1 58 58 GLY HA3 H 1 4.552 0.0 . 2 . . . A 62 GLY HA3 . 17704 1 677 . 1 1 58 58 GLY C C 13 170.031 0.0 . 1 . . . A 62 GLY C . 17704 1 678 . 1 1 58 58 GLY CA C 13 41.31 0.0 . 1 . . . A 62 GLY CA . 17704 1 679 . 1 1 58 58 GLY N N 15 114.3 0.0 . 1 . . . A 62 GLY N . 17704 1 680 . 1 1 59 59 PRO HA H 1 4.047 0.0 . 1 . . . A 63 PRO HA . 17704 1 681 . 1 1 59 59 PRO HB2 H 1 1.917 0.0 . 2 . . . A 63 PRO HB2 . 17704 1 682 . 1 1 59 59 PRO HB3 H 1 2.305 0.0 . 2 . . . A 63 PRO HB3 . 17704 1 683 . 1 1 59 59 PRO HG2 H 1 1.943 0.0 . 2 . . . A 63 PRO HG2 . 17704 1 684 . 1 1 59 59 PRO HG3 H 1 2.097 0.0 . 2 . . . A 63 PRO HG3 . 17704 1 685 . 1 1 59 59 PRO HD2 H 1 3.706 0.0 . 2 . . . A 63 PRO HD2 . 17704 1 686 . 1 1 59 59 PRO HD3 H 1 3.504 0.0 . 2 . . . A 63 PRO HD3 . 17704 1 687 . 1 1 59 59 PRO C C 13 176.845 0.0 . 1 . . . A 63 PRO C . 17704 1 688 . 1 1 59 59 PRO CA C 13 62.55 0.0 . 1 . . . A 63 PRO CA . 17704 1 689 . 1 1 59 59 PRO CB C 13 29.238 0.0 . 1 . . . A 63 PRO CB . 17704 1 690 . 1 1 59 59 PRO CG C 13 25.124 0.0 . 1 . . . A 63 PRO CG . 17704 1 691 . 1 1 59 59 PRO CD C 13 46.751 0.0 . 1 . . . A 63 PRO CD . 17704 1 692 . 1 1 60 60 GLN H H 1 9.01 0.0 . 1 . . . A 64 GLN H . 17704 1 693 . 1 1 60 60 GLN HA H 1 4.194 0.0 . 1 . . . A 64 GLN HA . 17704 1 694 . 1 1 60 60 GLN HB2 H 1 2.086 0.0 . 2 . . . A 64 GLN HB2 . 17704 1 695 . 1 1 60 60 GLN HB3 H 1 2.007 0.0 . 2 . . . A 64 GLN HB3 . 17704 1 696 . 1 1 60 60 GLN HG2 H 1 2.402 0.0 . 2 . . . A 64 GLN HG2 . 17704 1 697 . 1 1 60 60 GLN HG3 H 1 2.283 0.0 . 2 . . . A 64 GLN HG3 . 17704 1 698 . 1 1 60 60 GLN C C 13 173.693 0.0 . 1 . . . A 64 GLN C . 17704 1 699 . 1 1 60 60 GLN CA C 13 54.665 0.0 . 1 . . . A 64 GLN CA . 17704 1 700 . 1 1 60 60 GLN CB C 13 24.749 0.0 . 1 . . . A 64 GLN CB . 17704 1 701 . 1 1 60 60 GLN CG C 13 30.872 0.0 . 1 . . . A 64 GLN CG . 17704 1 702 . 1 1 60 60 GLN N N 15 115.8 0.0 . 1 . . . A 64 GLN N . 17704 1 703 . 1 1 61 61 ASP H H 1 8.083 0.0 . 1 . . . A 65 ASP H . 17704 1 704 . 1 1 61 61 ASP HA H 1 4.561 0.0 . 1 . . . A 65 ASP HA . 17704 1 705 . 1 1 61 61 ASP HB2 H 1 2.543 0.0 . 2 . . . A 65 ASP HB2 . 17704 1 706 . 1 1 61 61 ASP HB3 H 1 2.795 0.0 . 2 . . . A 65 ASP HB3 . 17704 1 707 . 1 1 61 61 ASP C C 13 174.835 0.0 . 1 . . . A 65 ASP C . 17704 1 708 . 1 1 61 61 ASP CA C 13 52.5 0.0 . 1 . . . A 65 ASP CA . 17704 1 709 . 1 1 61 61 ASP CB C 13 40.256 0.0 . 1 . . . A 65 ASP CB . 17704 1 710 . 1 1 61 61 ASP N N 15 117.1 0.0 . 1 . . . A 65 ASP N . 17704 1 711 . 1 1 62 62 GLN H H 1 7.167 0.0 . 1 . . . A 66 GLN H . 17704 1 712 . 1 1 62 62 GLN HA H 1 3.982 0.0 . 1 . . . A 66 GLN HA . 17704 1 713 . 1 1 62 62 GLN HB2 H 1 2.145 0.0 . 2 . . . A 66 GLN HB2 . 17704 1 714 . 1 1 62 62 GLN HB3 H 1 2.274 0.0 . 2 . . . A 66 GLN HB3 . 17704 1 715 . 1 1 62 62 GLN HG2 H 1 2.006 0.0 . 2 . . . A 66 GLN HG2 . 17704 1 716 . 1 1 62 62 GLN HG3 H 1 2.641 0.0 . 2 . . . A 66 GLN HG3 . 17704 1 717 . 1 1 62 62 GLN C C 13 172.233 0.0 . 1 . . . A 66 GLN C . 17704 1 718 . 1 1 62 62 GLN CA C 13 54.528 0.0 . 1 . . . A 66 GLN CA . 17704 1 719 . 1 1 62 62 GLN CB C 13 28.378 0.0 . 1 . . . A 66 GLN CB . 17704 1 720 . 1 1 62 62 GLN CG C 13 33.258 0.0 . 1 . . . A 66 GLN CG . 17704 1 721 . 1 1 62 62 GLN N N 15 118.0 0.0 . 1 . . . A 66 GLN N . 17704 1 722 . 1 1 63 63 GLY H H 1 8.108 0.0 . 1 . . . A 67 GLY H . 17704 1 723 . 1 1 63 63 GLY HA2 H 1 4.271 0.0 . 2 . . . A 67 GLY HA2 . 17704 1 724 . 1 1 63 63 GLY HA3 H 1 4.031 0.0 . 2 . . . A 67 GLY HA3 . 17704 1 725 . 1 1 63 63 GLY C C 13 168.875 0.0 . 1 . . . A 67 GLY C . 17704 1 726 . 1 1 63 63 GLY CA C 13 42.31 0.0 . 1 . . . A 67 GLY CA . 17704 1 727 . 1 1 63 63 GLY N N 15 108.7 0.0 . 1 . . . A 67 GLY N . 17704 1 728 . 1 1 64 64 THR H H 1 8.785 0.0 . 1 . . . A 68 THR H . 17704 1 729 . 1 1 64 64 THR HA H 1 5.179 0.0 . 1 . . . A 68 THR HA . 17704 1 730 . 1 1 64 64 THR HB H 1 3.909 0.0 . 1 . . . A 68 THR HB . 17704 1 731 . 1 1 64 64 THR HG21 H 1 1.034 0.0 . 1 . . . A 68 THR HG21 . 17704 1 732 . 1 1 64 64 THR HG22 H 1 1.034 0.0 . 1 . . . A 68 THR HG22 . 17704 1 733 . 1 1 64 64 THR HG23 H 1 1.034 0.0 . 1 . . . A 68 THR HG23 . 17704 1 734 . 1 1 64 64 THR C C 13 171.838 0.0 . 1 . . . A 68 THR C . 17704 1 735 . 1 1 64 64 THR CA C 13 58.636 0.0 . 1 . . . A 68 THR CA . 17704 1 736 . 1 1 64 64 THR CB C 13 67.244 0.0 . 1 . . . A 68 THR CB . 17704 1 737 . 1 1 64 64 THR CG2 C 13 20.123 0.0 . 1 . . . A 68 THR CG2 . 17704 1 738 . 1 1 64 64 THR N N 15 116.5 0.0 . 1 . . . A 68 THR N . 17704 1 739 . 1 1 65 65 TYR H H 1 9.451 0.0 . 1 . . . A 69 TYR H . 17704 1 740 . 1 1 65 65 TYR HA H 1 5.608 0.0 . 1 . . . A 69 TYR HA . 17704 1 741 . 1 1 65 65 TYR HB2 H 1 2.788 0.0 . 2 . . . A 69 TYR HB2 . 17704 1 742 . 1 1 65 65 TYR HB3 H 1 2.714 0.0 . 2 . . . A 69 TYR HB3 . 17704 1 743 . 1 1 65 65 TYR C C 13 171.131 0.0 . 1 . . . A 69 TYR C . 17704 1 744 . 1 1 65 65 TYR CA C 13 54.4 0.0 . 1 . . . A 69 TYR CA . 17704 1 745 . 1 1 65 65 TYR CB C 13 40.368 0.0 . 1 . . . A 69 TYR CB . 17704 1 746 . 1 1 65 65 TYR N N 15 127.5 0.0 . 1 . . . A 69 TYR N . 17704 1 747 . 1 1 66 66 SER H H 1 8.679 0.0 . 1 . . . A 70 SER H . 17704 1 748 . 1 1 66 66 SER HA H 1 4.523 0.0 . 1 . . . A 70 SER HA . 17704 1 749 . 1 1 66 66 SER HB2 H 1 3.579 0.0 . 2 . . . A 70 SER HB2 . 17704 1 750 . 1 1 66 66 SER HB3 H 1 3.707 0.0 . 2 . . . A 70 SER HB3 . 17704 1 751 . 1 1 66 66 SER C C 13 168.827 0.0 . 1 . . . A 70 SER C . 17704 1 752 . 1 1 66 66 SER CA C 13 54.567 0.0 . 1 . . . A 70 SER CA . 17704 1 753 . 1 1 66 66 SER CB C 13 62.933 0.0 . 1 . . . A 70 SER CB . 17704 1 754 . 1 1 66 66 SER N N 15 111.2 0.0 . 1 . . . A 70 SER N . 17704 1 755 . 1 1 67 67 CYS H H 1 8.521 0.0 . 1 . . . A 71 CYS H . 17704 1 756 . 1 1 67 67 CYS HA H 1 5.001 0.0 . 1 . . . A 71 CYS HA . 17704 1 757 . 1 1 67 67 CYS HB2 H 1 1.483 0.0 . 2 . . . A 71 CYS HB2 . 17704 1 758 . 1 1 67 67 CYS HB3 H 1 1.908 0.0 . 2 . . . A 71 CYS HB3 . 17704 1 759 . 1 1 67 67 CYS C C 13 169.197 0.0 . 1 . . . A 71 CYS C . 17704 1 760 . 1 1 67 67 CYS CA C 13 50.284 0.0 . 1 . . . A 71 CYS CA . 17704 1 761 . 1 1 67 67 CYS CB C 13 44.999 0.0 . 1 . . . A 71 CYS CB . 17704 1 762 . 1 1 67 67 CYS N N 15 114.3 0.0 . 1 . . . A 71 CYS N . 17704 1 763 . 1 1 68 68 VAL H H 1 8.461 0.0 . 1 . . . A 72 VAL H . 17704 1 764 . 1 1 68 68 VAL HA H 1 4.525 0.0 . 1 . . . A 72 VAL HA . 17704 1 765 . 1 1 68 68 VAL HB H 1 1.015 0.0 . 1 . . . A 72 VAL HB . 17704 1 766 . 1 1 68 68 VAL HG11 H 1 0.549 0.0 . 2 . . . A 72 VAL HG11 . 17704 1 767 . 1 1 68 68 VAL HG12 H 1 0.549 0.0 . 2 . . . A 72 VAL HG12 . 17704 1 768 . 1 1 68 68 VAL HG13 H 1 0.549 0.0 . 2 . . . A 72 VAL HG13 . 17704 1 769 . 1 1 68 68 VAL HG21 H 1 0.499 0.0 . 2 . . . A 72 VAL HG21 . 17704 1 770 . 1 1 68 68 VAL HG22 H 1 0.499 0.0 . 2 . . . A 72 VAL HG22 . 17704 1 771 . 1 1 68 68 VAL HG23 H 1 0.499 0.0 . 2 . . . A 72 VAL HG23 . 17704 1 772 . 1 1 68 68 VAL C C 13 171.661 0.0 . 1 . . . A 72 VAL C . 17704 1 773 . 1 1 68 68 VAL CA C 13 57.74 0.0 . 1 . . . A 72 VAL CA . 17704 1 774 . 1 1 68 68 VAL CB C 13 31.875 0.0 . 1 . . . A 72 VAL CB . 17704 1 775 . 1 1 68 68 VAL CG1 C 13 18.738 0.0 . 2 . . . A 72 VAL CG1 . 17704 1 776 . 1 1 68 68 VAL CG2 C 13 18.375 0.0 . 2 . . . A 72 VAL CG2 . 17704 1 777 . 1 1 68 68 VAL N N 15 119.6 0.0 . 1 . . . A 72 VAL N . 17704 1 778 . 1 1 69 69 ALA H H 1 8.82 0.0 . 1 . . . A 73 ALA H . 17704 1 779 . 1 1 69 69 ALA HA H 1 5.159 0.0 . 1 . . . A 73 ALA HA . 17704 1 780 . 1 1 69 69 ALA HB1 H 1 1.148 0.0 . 1 . . . A 73 ALA HB1 . 17704 1 781 . 1 1 69 69 ALA HB2 H 1 1.148 0.0 . 1 . . . A 73 ALA HB2 . 17704 1 782 . 1 1 69 69 ALA HB3 H 1 1.148 0.0 . 1 . . . A 73 ALA HB3 . 17704 1 783 . 1 1 69 69 ALA C C 13 174.984 0.0 . 1 . . . A 73 ALA C . 17704 1 784 . 1 1 69 69 ALA CA C 13 47.484 0.0 . 1 . . . A 73 ALA CA . 17704 1 785 . 1 1 69 69 ALA CB C 13 19.121 0.0 . 1 . . . A 73 ALA CB . 17704 1 786 . 1 1 69 69 ALA N N 15 129.0 0.0 . 1 . . . A 73 ALA N . 17704 1 787 . 1 1 70 70 THR H H 1 8.484 0.0 . 1 . . . A 74 THR H . 17704 1 788 . 1 1 70 70 THR HA H 1 4.312 0.0 . 1 . . . A 74 THR HA . 17704 1 789 . 1 1 70 70 THR HB H 1 4.028 0.0 . 1 . . . A 74 THR HB . 17704 1 790 . 1 1 70 70 THR HG21 H 1 0.978 0.0 . 1 . . . A 74 THR HG21 . 17704 1 791 . 1 1 70 70 THR HG22 H 1 0.978 0.0 . 1 . . . A 74 THR HG22 . 17704 1 792 . 1 1 70 70 THR HG23 H 1 0.978 0.0 . 1 . . . A 74 THR HG23 . 17704 1 793 . 1 1 70 70 THR C C 13 170.993 0.0 . 1 . . . A 74 THR C . 17704 1 794 . 1 1 70 70 THR CA C 13 59.45 0.0 . 1 . . . A 74 THR CA . 17704 1 795 . 1 1 70 70 THR CB C 13 67.248 0.0 . 1 . . . A 74 THR CB . 17704 1 796 . 1 1 70 70 THR CG2 C 13 19.248 0.0 . 1 . . . A 74 THR CG2 . 17704 1 797 . 1 1 70 70 THR N N 15 116.5 0.0 . 1 . . . A 74 THR N . 17704 1 798 . 1 1 71 71 HIS H H 1 8.285 0.0 . 1 . . . A 75 HIS H . 17704 1 799 . 1 1 71 71 HIS HA H 1 4.66 0.0 . 1 . . . A 75 HIS HA . 17704 1 800 . 1 1 71 71 HIS HB2 H 1 3.095 0.0 . 2 . . . A 75 HIS HB2 . 17704 1 801 . 1 1 71 71 HIS HB3 H 1 2.745 0.0 . 2 . . . A 75 HIS HB3 . 17704 1 802 . 1 1 71 71 HIS C C 13 172.921 0.0 . 1 . . . A 75 HIS C . 17704 1 803 . 1 1 71 71 HIS CA C 13 52.988 0.0 . 1 . . . A 75 HIS CA . 17704 1 804 . 1 1 71 71 HIS N N 15 124.9 0.0 . 1 . . . A 75 HIS N . 17704 1 805 . 1 1 72 72 SER HB2 H 1 3.713 0.0 . 2 . . . A 76 SER HB2 . 17704 1 806 . 1 1 72 72 SER HB3 H 1 3.713 0.0 . 2 . . . A 76 SER HB3 . 17704 1 807 . 1 1 73 73 SER HA H 1 4.446 0.0 . 1 . . . A 77 SER HA . 17704 1 808 . 1 1 73 73 SER HB2 H 1 3.712 0.0 . 2 . . . A 77 SER HB2 . 17704 1 809 . 1 1 73 73 SER HB3 H 1 3.712 0.0 . 2 . . . A 77 SER HB3 . 17704 1 810 . 1 1 73 73 SER CA C 13 56.999 0.0 . 1 . . . A 77 SER CA . 17704 1 811 . 1 1 73 73 SER CB C 13 61.25 0.0 . 1 . . . A 77 SER CB . 17704 1 812 . 1 1 74 74 HIS HA H 1 4.491 0.0 . 1 . . . A 78 HIS HA . 17704 1 813 . 1 1 74 74 HIS HB2 H 1 2.997 0.0 . 2 . . . A 78 HIS HB2 . 17704 1 814 . 1 1 74 74 HIS HB3 H 1 2.843 0.0 . 2 . . . A 78 HIS HB3 . 17704 1 815 . 1 1 74 74 HIS C C 13 172.921 0.0 . 1 . . . A 78 HIS C . 17704 1 816 . 1 1 74 74 HIS CA C 13 54.122 0.0 . 1 . . . A 78 HIS CA . 17704 1 817 . 1 1 74 74 HIS CB C 13 30.356 0.0 . 1 . . . A 78 HIS CB . 17704 1 818 . 1 1 75 75 GLY HA2 H 1 4.102 0.0 . 2 . . . A 79 GLY HA2 . 17704 1 819 . 1 1 75 75 GLY HA3 H 1 4.102 0.0 . 2 . . . A 79 GLY HA3 . 17704 1 820 . 1 1 75 75 GLY CA C 13 41.982 0.0 . 1 . . . A 79 GLY CA . 17704 1 821 . 1 1 76 76 PRO HA H 1 4.616 0.0 . 1 . . . A 80 PRO HA . 17704 1 822 . 1 1 76 76 PRO HB2 H 1 1.97 0.0 . 2 . . . A 80 PRO HB2 . 17704 1 823 . 1 1 76 76 PRO HB3 H 1 1.97 0.0 . 2 . . . A 80 PRO HB3 . 17704 1 824 . 1 1 76 76 PRO HG2 H 1 1.907 0.0 . 2 . . . A 80 PRO HG2 . 17704 1 825 . 1 1 76 76 PRO HG3 H 1 1.907 0.0 . 2 . . . A 80 PRO HG3 . 17704 1 826 . 1 1 76 76 PRO HD2 H 1 3.175 0.0 . 2 . . . A 80 PRO HD2 . 17704 1 827 . 1 1 76 76 PRO HD3 H 1 3.175 0.0 . 2 . . . A 80 PRO HD3 . 17704 1 828 . 1 1 76 76 PRO C C 13 174.52 0.0 . 1 . . . A 80 PRO C . 17704 1 829 . 1 1 76 76 PRO CA C 13 60.603 0.0 . 1 . . . A 80 PRO CA . 17704 1 830 . 1 1 76 76 PRO CB C 13 29.622 0.0 . 1 . . . A 80 PRO CB . 17704 1 831 . 1 1 76 76 PRO CG C 13 24.714 0.0 . 1 . . . A 80 PRO CG . 17704 1 832 . 1 1 76 76 PRO CD C 13 47.123 0.0 . 1 . . . A 80 PRO CD . 17704 1 833 . 1 1 77 77 GLN H H 1 8.364 0.0 . 1 . . . A 81 GLN H . 17704 1 834 . 1 1 77 77 GLN HA H 1 4.515 0.0 . 1 . . . A 81 GLN HA . 17704 1 835 . 1 1 77 77 GLN HB2 H 1 1.831 0.0 . 2 . . . A 81 GLN HB2 . 17704 1 836 . 1 1 77 77 GLN HB3 H 1 1.933 0.0 . 2 . . . A 81 GLN HB3 . 17704 1 837 . 1 1 77 77 GLN HG2 H 1 2.209 0.0 . 2 . . . A 81 GLN HG2 . 17704 1 838 . 1 1 77 77 GLN HG3 H 1 2.209 0.0 . 2 . . . A 81 GLN HG3 . 17704 1 839 . 1 1 77 77 GLN C C 13 170.414 0.0 . 1 . . . A 81 GLN C . 17704 1 840 . 1 1 77 77 GLN CA C 13 52.035 0.0 . 1 . . . A 81 GLN CA . 17704 1 841 . 1 1 77 77 GLN CB C 13 29.745 0.0 . 1 . . . A 81 GLN CB . 17704 1 842 . 1 1 77 77 GLN CG C 13 31.373 0.0 . 1 . . . A 81 GLN CG . 17704 1 843 . 1 1 77 77 GLN N N 15 121.8 0.0 . 1 . . . A 81 GLN N . 17704 1 844 . 1 1 78 78 GLU H H 1 8.58 0.0 . 1 . . . A 82 GLU H . 17704 1 845 . 1 1 78 78 GLU HA H 1 5.03 0.0 . 1 . . . A 82 GLU HA . 17704 1 846 . 1 1 78 78 GLU HB2 H 1 1.7 0.0 . 2 . . . A 82 GLU HB2 . 17704 1 847 . 1 1 78 78 GLU HB3 H 1 1.854 0.0 . 2 . . . A 82 GLU HB3 . 17704 1 848 . 1 1 78 78 GLU HG2 H 1 2.719 0.0 . 2 . . . A 82 GLU HG2 . 17704 1 849 . 1 1 78 78 GLU HG3 H 1 2.005 0.0 . 2 . . . A 82 GLU HG3 . 17704 1 850 . 1 1 78 78 GLU C C 13 174.071 0.0 . 1 . . . A 82 GLU C . 17704 1 851 . 1 1 78 78 GLU CA C 13 51.81 0.0 . 1 . . . A 82 GLU CA . 17704 1 852 . 1 1 78 78 GLU CB C 13 29.787 0.0 . 1 . . . A 82 GLU CB . 17704 1 853 . 1 1 78 78 GLU CG C 13 33.128 0.0 . 1 . . . A 82 GLU CG . 17704 1 854 . 1 1 78 78 GLU N N 15 125.3 0.0 . 1 . . . A 82 GLU N . 17704 1 855 . 1 1 79 79 SER H H 1 8.9 0.0 . 1 . . . A 83 SER H . 17704 1 856 . 1 1 79 79 SER HA H 1 4.339 0.0 . 1 . . . A 83 SER HA . 17704 1 857 . 1 1 79 79 SER HB2 H 1 3.888 0.0 . 2 . . . A 83 SER HB2 . 17704 1 858 . 1 1 79 79 SER HB3 H 1 4.091 0.0 . 2 . . . A 83 SER HB3 . 17704 1 859 . 1 1 79 79 SER HG H 1 3.755 0.0 . 1 . . . A 83 SER HG . 17704 1 860 . 1 1 79 79 SER C C 13 171.413 0.0 . 1 . . . A 83 SER C . 17704 1 861 . 1 1 79 79 SER CA C 13 56.0 0.0 . 1 . . . A 83 SER CA . 17704 1 862 . 1 1 79 79 SER CB C 13 64.246 0.0 . 1 . . . A 83 SER CB . 17704 1 863 . 1 1 79 79 SER N N 15 121.33 0.0 . 1 . . . A 83 SER N . 17704 1 864 . 1 1 80 80 ARG H H 1 8.445 0.0 . 1 . . . A 84 ARG H . 17704 1 865 . 1 1 80 80 ARG HA H 1 4.257 0.0 . 1 . . . A 84 ARG HA . 17704 1 866 . 1 1 80 80 ARG HB2 H 1 1.806 0.0 . 2 . . . A 84 ARG HB2 . 17704 1 867 . 1 1 80 80 ARG HB3 H 1 1.86 0.0 . 2 . . . A 84 ARG HB3 . 17704 1 868 . 1 1 80 80 ARG HG2 H 1 1.719 0.0 . 2 . . . A 84 ARG HG2 . 17704 1 869 . 1 1 80 80 ARG HG3 H 1 1.422 0.0 . 2 . . . A 84 ARG HG3 . 17704 1 870 . 1 1 80 80 ARG HD2 H 1 3.192 0.0 . 2 . . . A 84 ARG HD2 . 17704 1 871 . 1 1 80 80 ARG HD3 H 1 3.192 0.0 . 2 . . . A 84 ARG HD3 . 17704 1 872 . 1 1 80 80 ARG C C 13 171.959 0.0 . 1 . . . A 84 ARG C . 17704 1 873 . 1 1 80 80 ARG CA C 13 53.7 0.0 . 1 . . . A 84 ARG CA . 17704 1 874 . 1 1 80 80 ARG CB C 13 27.249 0.0 . 1 . . . A 84 ARG CB . 17704 1 875 . 1 1 80 80 ARG CG C 13 24.882 0.0 . 1 . . . A 84 ARG CG . 17704 1 876 . 1 1 80 80 ARG CD C 13 40.996 0.0 . 1 . . . A 84 ARG CD . 17704 1 877 . 1 1 80 80 ARG N N 15 116.9 0.0 . 1 . . . A 84 ARG N . 17704 1 878 . 1 1 81 81 ALA H H 1 8.24 0.0 . 1 . . . A 85 ALA H . 17704 1 879 . 1 1 81 81 ALA HA H 1 5.002 0.0 . 1 . . . A 85 ALA HA . 17704 1 880 . 1 1 81 81 ALA HB1 H 1 1.163 0.0 . 1 . . . A 85 ALA HB1 . 17704 1 881 . 1 1 81 81 ALA HB2 H 1 1.163 0.0 . 1 . . . A 85 ALA HB2 . 17704 1 882 . 1 1 81 81 ALA HB3 H 1 1.163 0.0 . 1 . . . A 85 ALA HB3 . 17704 1 883 . 1 1 81 81 ALA C C 13 175.635 0.0 . 1 . . . A 85 ALA C . 17704 1 884 . 1 1 81 81 ALA CA C 13 47.998 0.0 . 1 . . . A 85 ALA CA . 17704 1 885 . 1 1 81 81 ALA CB C 13 17.868 0.0 . 1 . . . A 85 ALA CB . 17704 1 886 . 1 1 81 81 ALA N N 15 124.3 0.0 . 1 . . . A 85 ALA N . 17704 1 887 . 1 1 82 82 VAL H H 1 9.07 0.0 . 1 . . . A 86 VAL H . 17704 1 888 . 1 1 82 82 VAL HA H 1 4.496 0.0 . 1 . . . A 86 VAL HA . 17704 1 889 . 1 1 82 82 VAL HB H 1 1.898 0.0 . 1 . . . A 86 VAL HB . 17704 1 890 . 1 1 82 82 VAL HG11 H 1 0.82 0.0 . 2 . . . A 86 VAL HG11 . 17704 1 891 . 1 1 82 82 VAL HG12 H 1 0.82 0.0 . 2 . . . A 86 VAL HG12 . 17704 1 892 . 1 1 82 82 VAL HG13 H 1 0.82 0.0 . 2 . . . A 86 VAL HG13 . 17704 1 893 . 1 1 82 82 VAL HG21 H 1 0.825 0.0 . 2 . . . A 86 VAL HG21 . 17704 1 894 . 1 1 82 82 VAL HG22 H 1 0.825 0.0 . 2 . . . A 86 VAL HG22 . 17704 1 895 . 1 1 82 82 VAL HG23 H 1 0.825 0.0 . 2 . . . A 86 VAL HG23 . 17704 1 896 . 1 1 82 82 VAL C C 13 171.798 0.0 . 1 . . . A 86 VAL C . 17704 1 897 . 1 1 82 82 VAL CA C 13 57.527 0.0 . 1 . . . A 86 VAL CA . 17704 1 898 . 1 1 82 82 VAL CB C 13 32.375 0.0 . 1 . . . A 86 VAL CB . 17704 1 899 . 1 1 82 82 VAL CG1 C 13 18.123 0.0 . 2 . . . A 86 VAL CG1 . 17704 1 900 . 1 1 82 82 VAL CG2 C 13 18.358 0.0 . 2 . . . A 86 VAL CG2 . 17704 1 901 . 1 1 82 82 VAL N N 15 119.4 0.0 . 1 . . . A 86 VAL N . 17704 1 902 . 1 1 83 83 SER H H 1 8.481 0.0 . 1 . . . A 87 SER H . 17704 1 903 . 1 1 83 83 SER HA H 1 5.02 0.0 . 1 . . . A 87 SER HA . 17704 1 904 . 1 1 83 83 SER HB2 H 1 3.67 0.0 . 2 . . . A 87 SER HB2 . 17704 1 905 . 1 1 83 83 SER HB3 H 1 3.706 0.0 . 2 . . . A 87 SER HB3 . 17704 1 906 . 1 1 83 83 SER CA C 13 55.155 0.0 . 1 . . . A 87 SER CA . 17704 1 907 . 1 1 83 83 SER CB C 13 61.118 0.0 . 1 . . . A 87 SER CB . 17704 1 908 . 1 1 83 83 SER N N 15 120.6 0.0 . 1 . . . A 87 SER N . 17704 1 909 . 1 1 84 84 ILE H H 1 8.984 0.0 . 1 . . . A 88 ILE H . 17704 1 910 . 1 1 84 84 ILE HA H 1 5.048 0.0 . 1 . . . A 88 ILE HA . 17704 1 911 . 1 1 84 84 ILE HB H 1 2.145 0.0 . 1 . . . A 88 ILE HB . 17704 1 912 . 1 1 84 84 ILE HG12 H 1 1.028 0.0 . 2 . . . A 88 ILE HG12 . 17704 1 913 . 1 1 84 84 ILE HG13 H 1 1.473 0.0 . 2 . . . A 88 ILE HG13 . 17704 1 914 . 1 1 84 84 ILE HG21 H 1 0.622 0.0 . 1 . . . A 88 ILE HG21 . 17704 1 915 . 1 1 84 84 ILE HG22 H 1 0.622 0.0 . 1 . . . A 88 ILE HG22 . 17704 1 916 . 1 1 84 84 ILE HG23 H 1 0.622 0.0 . 1 . . . A 88 ILE HG23 . 17704 1 917 . 1 1 84 84 ILE HD11 H 1 0.538 0.0 . 1 . . . A 88 ILE HD11 . 17704 1 918 . 1 1 84 84 ILE HD12 H 1 0.538 0.0 . 1 . . . A 88 ILE HD12 . 17704 1 919 . 1 1 84 84 ILE HD13 H 1 0.538 0.0 . 1 . . . A 88 ILE HD13 . 17704 1 920 . 1 1 84 84 ILE C C 13 173.952 0.0 . 1 . . . A 88 ILE C . 17704 1 921 . 1 1 84 84 ILE CA C 13 55.634 0.0 . 1 . . . A 88 ILE CA . 17704 1 922 . 1 1 84 84 ILE CB C 13 34.75 0.0 . 1 . . . A 88 ILE CB . 17704 1 923 . 1 1 84 84 ILE CG1 C 13 25.37 0.0 . 1 . . . A 88 ILE CG1 . 17704 1 924 . 1 1 84 84 ILE CG2 C 13 14.493 0.0 . 1 . . . A 88 ILE CG2 . 17704 1 925 . 1 1 84 84 ILE CD1 C 13 9.367 0.0 . 1 . . . A 88 ILE CD1 . 17704 1 926 . 1 1 84 84 ILE N N 15 127.7 0.0 . 1 . . . A 88 ILE N . 17704 1 927 . 1 1 85 85 SER H H 1 8.661 0.0 . 1 . . . A 89 SER H . 17704 1 928 . 1 1 85 85 SER HA H 1 4.874 0.0 . 1 . . . A 89 SER HA . 17704 1 929 . 1 1 85 85 SER HB2 H 1 3.633 0.0 . 2 . . . A 89 SER HB2 . 17704 1 930 . 1 1 85 85 SER HB3 H 1 3.633 0.0 . 2 . . . A 89 SER HB3 . 17704 1 931 . 1 1 85 85 SER C C 13 168.82 0.0 . 1 . . . A 89 SER C . 17704 1 932 . 1 1 85 85 SER CA C 13 54.072 0.0 . 1 . . . A 89 SER CA . 17704 1 933 . 1 1 85 85 SER CB C 13 63.878 0.0 . 1 . . . A 89 SER CB . 17704 1 934 . 1 1 85 85 SER N N 15 122.3 0.0 . 1 . . . A 89 SER N . 17704 1 935 . 1 1 86 86 ILE H H 1 8.008 0.0 . 1 . . . A 90 ILE H . 17704 1 936 . 1 1 86 86 ILE HA H 1 4.928 0.0 . 1 . . . A 90 ILE HA . 17704 1 937 . 1 1 86 86 ILE HB H 1 1.456 0.0 . 1 . . . A 90 ILE HB . 17704 1 938 . 1 1 86 86 ILE HG12 H 1 0.712 0.0 . 2 . . . A 90 ILE HG12 . 17704 1 939 . 1 1 86 86 ILE HG13 H 1 1.135 0.0 . 2 . . . A 90 ILE HG13 . 17704 1 940 . 1 1 86 86 ILE HG21 H 1 0.657 0.0 . 1 . . . A 90 ILE HG21 . 17704 1 941 . 1 1 86 86 ILE HG22 H 1 0.657 0.0 . 1 . . . A 90 ILE HG22 . 17704 1 942 . 1 1 86 86 ILE HG23 H 1 0.657 0.0 . 1 . . . A 90 ILE HG23 . 17704 1 943 . 1 1 86 86 ILE HD11 H 1 0.492 0.0 . 1 . . . A 90 ILE HD11 . 17704 1 944 . 1 1 86 86 ILE HD12 H 1 0.492 0.0 . 1 . . . A 90 ILE HD12 . 17704 1 945 . 1 1 86 86 ILE HD13 H 1 0.492 0.0 . 1 . . . A 90 ILE HD13 . 17704 1 946 . 1 1 86 86 ILE C C 13 171.13 0.0 . 1 . . . A 90 ILE C . 17704 1 947 . 1 1 86 86 ILE CA C 13 56.391 0.0 . 1 . . . A 90 ILE CA . 17704 1 948 . 1 1 86 86 ILE CB C 13 36.371 0.0 . 1 . . . A 90 ILE CB . 17704 1 949 . 1 1 86 86 ILE CG1 C 13 25.748 0.0 . 1 . . . A 90 ILE CG1 . 17704 1 950 . 1 1 86 86 ILE CG2 C 13 15.246 0.0 . 1 . . . A 90 ILE CG2 . 17704 1 951 . 1 1 86 86 ILE CD1 C 13 10.367 0.0 . 1 . . . A 90 ILE CD1 . 17704 1 952 . 1 1 86 86 ILE N N 15 119.7 0.0 . 1 . . . A 90 ILE N . 17704 1 953 . 1 1 87 87 ILE H H 1 8.128 0.0 . 1 . . . A 91 ILE H . 17704 1 954 . 1 1 87 87 ILE HA H 1 4.009 0.0 . 1 . . . A 91 ILE HA . 17704 1 955 . 1 1 87 87 ILE HB H 1 1.446 0.0 . 1 . . . A 91 ILE HB . 17704 1 956 . 1 1 87 87 ILE HG12 H 1 0.804 0.0 . 2 . . . A 91 ILE HG12 . 17704 1 957 . 1 1 87 87 ILE HG13 H 1 1.181 0.0 . 2 . . . A 91 ILE HG13 . 17704 1 958 . 1 1 87 87 ILE HG21 H 1 0.676 0.0 . 1 . . . A 91 ILE HG21 . 17704 1 959 . 1 1 87 87 ILE HG22 H 1 0.676 0.0 . 1 . . . A 91 ILE HG22 . 17704 1 960 . 1 1 87 87 ILE HG23 H 1 0.676 0.0 . 1 . . . A 91 ILE HG23 . 17704 1 961 . 1 1 87 87 ILE HD11 H 1 0.62 0.0 . 1 . . . A 91 ILE HD11 . 17704 1 962 . 1 1 87 87 ILE HD12 H 1 0.62 0.0 . 1 . . . A 91 ILE HD12 . 17704 1 963 . 1 1 87 87 ILE HD13 H 1 0.62 0.0 . 1 . . . A 91 ILE HD13 . 17704 1 964 . 1 1 87 87 ILE C C 13 172.479 0.0 . 1 . . . A 91 ILE C . 17704 1 965 . 1 1 87 87 ILE CA C 13 57.764 0.0 . 1 . . . A 91 ILE CA . 17704 1 966 . 1 1 87 87 ILE CB C 13 36.868 0.0 . 1 . . . A 91 ILE CB . 17704 1 967 . 1 1 87 87 ILE CG1 C 13 24.741 0.0 . 1 . . . A 91 ILE CG1 . 17704 1 968 . 1 1 87 87 ILE CG2 C 13 14.867 0.0 . 1 . . . A 91 ILE CG2 . 17704 1 969 . 1 1 87 87 ILE CD1 C 13 10.615 0.0 . 1 . . . A 91 ILE CD1 . 17704 1 970 . 1 1 87 87 ILE N N 15 127.7 0.0 . 1 . . . A 91 ILE N . 17704 1 971 . 1 1 88 88 GLU H H 1 8.207 0.0 . 1 . . . A 92 GLU H . 17704 1 972 . 1 1 88 88 GLU HA H 1 4.442 0.0 . 1 . . . A 92 GLU HA . 17704 1 973 . 1 1 88 88 GLU HB2 H 1 1.791 0.0 . 2 . . . A 92 GLU HB2 . 17704 1 974 . 1 1 88 88 GLU HB3 H 1 1.962 0.0 . 2 . . . A 92 GLU HB3 . 17704 1 975 . 1 1 88 88 GLU HG2 H 1 2.21 0.0 . 2 . . . A 92 GLU HG2 . 17704 1 976 . 1 1 88 88 GLU HG3 H 1 2.145 0.0 . 2 . . . A 92 GLU HG3 . 17704 1 977 . 1 1 88 88 GLU C C 13 172.65 0.0 . 1 . . . A 92 GLU C . 17704 1 978 . 1 1 88 88 GLU CA C 13 51.502 0.0 . 1 . . . A 92 GLU CA . 17704 1 979 . 1 1 88 88 GLU CB C 13 27.301 0.0 . 1 . . . A 92 GLU CB . 17704 1 980 . 1 1 88 88 GLU CG C 13 33.747 0.0 . 1 . . . A 92 GLU CG . 17704 1 981 . 1 1 88 88 GLU N N 15 126.5 0.0 . 1 . . . A 92 GLU N . 17704 1 982 . 1 1 89 89 PRO CA C 13 60.772 0.0 . 1 . . . A 93 PRO CA . 17704 1 983 . 1 1 90 90 GLY H H 1 8.373 0.0 . 1 . . . A 94 GLY H . 17704 1 984 . 1 1 90 90 GLY CA C 13 42.918 0.0 . 1 . . . A 94 GLY CA . 17704 1 985 . 1 1 90 90 GLY N N 15 109.3 0.0 . 1 . . . A 94 GLY N . 17704 1 986 . 1 1 91 91 GLU H H 1 7.787 0.0 . 1 . . . A 95 GLU H . 17704 1 987 . 1 1 91 91 GLU CA C 13 57.267 0.0 . 1 . . . A 95 GLU CA . 17704 1 988 . 1 1 91 91 GLU N N 15 120.9 0.0 . 1 . . . A 95 GLU N . 17704 1 989 . 1 1 92 92 GLU H H 1 8.12 0.0 . 1 . . . A 96 GLU H . 17704 1 990 . 1 1 92 92 GLU CA C 13 54.024 0.0 . 1 . . . A 96 GLU CA . 17704 1 991 . 1 1 92 92 GLU N N 15 122.9 0.0 . 1 . . . A 96 GLU N . 17704 1 stop_ save_