data_7276 save_study_list _Study_list.Sf_category study_list _Study_list.Sf_framecode study_list _Study_list.Entry_ID 7276 _Study_list.ID 1 loop_ _Study.ID _Study.Name _Study.Type _Study.Details _Study.Entry_ID _Study.Study_list_ID 007 'Investigation of Group 5 allergen, Blo t 5 from Blomia tropicalis.' 'Structure analysis' 'The data from the entries that make up this study were used to determine the structure of Blo t 5' 7276 1 stop_ loop_ _Study_keyword.Study_ID _Study_keyword.Keyword _Study_keyword.Entry_ID _Study_keyword.Study_list_ID . Allergen 7276 1 . 'Blomia tropicalis' 7276 1 . 'House dust mite' 7276 1 stop_ loop_ _Study_entry_list.Study_ID _Study_entry_list.BMRB_accession_code _Study_entry_list.BMRB_entry_description _Study_entry_list.Details _Study_entry_list.Entry_ID _Study_entry_list.Study_list_ID . . 'Assigned chemical shift entry' 'Complete 1H, 13C and 15N resonance assignments of Blo t 5, a major mite allergen from Blomia tropicalis.' 7276 1 stop_ save_ ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 7276 _Entry.Title ; Complete 1H, 13C and 15N resonance assignments of Blo t 5, a major mite allergen from Blomia tropicalis. ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2006-08-27 _Entry.Accession_date 2006-08-28 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version . _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _Entry.Details 'Assigned chemical shift entry.' _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 Mandar Naik . T. . 7276 2 Chi-Fon Chang . . . 7276 3 Tai-Huang Huang . . . 7276 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID . . 'Academia Sinica' . 7276 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 7276 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 595 7276 '15N chemical shifts' 142 7276 '1H chemical shifts' 903 7276 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2008-07-17 2006-08-27 update BMRB 'complete entry citation' 7276 1 . . 2007-01-10 2006-08-27 original author 'original release' 7276 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2MEY 'BMRB Entry Tracking System' 7276 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 7276 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 17206470 _Citation.Full_citation . _Citation.Title 'Complete 1H, 13C and 15N resonance assignments of Blo t 5, a major mite allergen from Blomia tropicalis.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biomol. NMR' _Citation.Journal_name_full . _Citation.Journal_volume 38 _Citation.Journal_issue 2 _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 189 _Citation.Page_last 189 _Citation.Year 2006 _Citation.Details 'Letter to the Editor in Journal of Biomolecular NMR.' 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 Mandar Naik . T. . 7276 1 2 Chi-Fon Chang . . . 7276 1 3 I-Chun Kuo . . . 7276 1 4 Tsunai Yu . . . 7276 1 5 Pei-Ju Fang . . . 7276 1 6 Kaw-Yan Chua . . . 7276 1 7 Tai-Huang Huang . . . 7276 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID Allergen 7276 1 'Blomia tropicalis' 7276 1 'House dust mite' 7276 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 7276 _Assembly.ID 1 _Assembly.Name 'Blo t 5' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states no _Assembly.Ambiguous_chem_comp_sites no _Assembly.Molecules_in_chemical_exchange no _Assembly.Paramagnetic no _Assembly.Thiol_state 'all free' _Assembly.Molecular_mass 14035.8 _Assembly.Enzyme_commission_number . _Assembly.Details 'Blomia tropicalis Group 5 allergen.' _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID protein 7276 1 stop_ loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'Blo t 5' 1 $Blo_t_5 . . no native no no 1 Allergen . 7276 1 stop_ loop_ _Assembly_systematic_name.Name _Assembly_systematic_name.Naming_system _Assembly_systematic_name.Entry_ID _Assembly_systematic_name.Assembly_ID 'Blo t 5' IUPAC 7276 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID Allergen 7276 1 'Unknown in mites' 7276 1 stop_ loop_ _Assembly_keyword.Keyword _Assembly_keyword.Entry_ID _Assembly_keyword.Assembly_ID 'Mite group 5 allergen' 7276 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Blo_t_5 _Entity.Sf_category entity _Entity.Sf_framecode Blo_t_5 _Entity.Entry_ID 7276 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'Blo t 5' _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GSQEHKPKKDDFRNEFDHLL IEQANHAIEKGEHQLLYLQH QLDELNENKSKELQEKIIRE LDVVCAMIEGAQGALERELK RTDLNILERFNYEEAQTLSK ILLKDLKETEQKVKDIQTQ ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details '-2 GLY, -1 SER, 1 GLN, 2 GLU, ..., 117 GLN' _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 119 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 14035.8 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details ; Recombinant Blo t 5 expressed as Glutathione S-transferase fusion protein and contain a two residue, Gly-Ser tag at N-terminus. ; _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-01-28 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no BMRB 15345 . Blo_t_5 . . . . . 94.12 112 100.00 100.00 7.36e-71 . . . . 7276 1 2 no PDB 2JMH . "Nmr Solution Structure Of Blo T 5, A Major Mite Allergen From Blomia Tropicalis" . . . . . 100.00 119 100.00 100.00 4.39e-77 . . . . 7276 1 3 no PDB 2JRK . "Nmr Structure And Epitope Mapping Of Blo T 5" . . . . . 94.12 112 100.00 100.00 7.36e-71 . . . . 7276 1 4 no PDB 2MEY . "Rdc Refined Solution Structure Of Blo T 5" . . . . . 100.00 119 100.00 100.00 4.39e-77 . . . . 7276 1 5 no GB AAD10850 . "major IgE-binding protein Blo t 5 [Blomia tropicalis]" . . . . . 99.16 134 99.15 100.00 9.84e-76 . . . . 7276 1 6 no GB ABH06351 . "Blo t 5 allergen [Blomia tropicalis]" . . . . . 99.16 134 99.15 100.00 9.84e-76 . . . . 7276 1 7 no GB ABH06352 . "Blo t 5 allergen [Blomia tropicalis]" . . . . . 99.16 134 98.31 99.15 1.12e-74 . . . . 7276 1 8 no GB ABH06353 . "Blo t 5 allergen [Blomia tropicalis]" . . . . . 99.16 134 99.15 100.00 9.84e-76 . . . . 7276 1 9 no GB ABH06354 . "Blo t 5 allergen [Blomia tropicalis]" . . . . . 99.16 134 99.15 100.00 9.84e-76 . . . . 7276 1 10 no SP O96870 . "RecName: Full=Mite allergen Blo t 5; AltName: Allergen=Blo t 5 [Blomia tropicalis]" . . . . . 99.16 134 99.15 100.00 9.84e-76 . . . . 7276 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID Allergen 7276 1 'Unknown in mites' 7276 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'Blo t 5' . 7276 1 stop_ loop_ _Entity_systematic_name.Name _Entity_systematic_name.Naming_system _Entity_systematic_name.Entry_ID _Entity_systematic_name.Entity_ID 'Blo t 5' IUPAC 7276 1 stop_ loop_ _Entity_keyword.Keyword _Entity_keyword.Entry_ID _Entity_keyword.Entity_ID 'Mite group 5 allergen' 7276 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 -2 GLY . 7276 1 2 -1 SER . 7276 1 3 1 GLN . 7276 1 4 2 GLU . 7276 1 5 3 HIS . 7276 1 6 4 LYS . 7276 1 7 5 PRO . 7276 1 8 6 LYS . 7276 1 9 7 LYS . 7276 1 10 8 ASP . 7276 1 11 9 ASP . 7276 1 12 10 PHE . 7276 1 13 11 ARG . 7276 1 14 12 ASN . 7276 1 15 13 GLU . 7276 1 16 14 PHE . 7276 1 17 15 ASP . 7276 1 18 16 HIS . 7276 1 19 17 LEU . 7276 1 20 18 LEU . 7276 1 21 19 ILE . 7276 1 22 20 GLU . 7276 1 23 21 GLN . 7276 1 24 22 ALA . 7276 1 25 23 ASN . 7276 1 26 24 HIS . 7276 1 27 25 ALA . 7276 1 28 26 ILE . 7276 1 29 27 GLU . 7276 1 30 28 LYS . 7276 1 31 29 GLY . 7276 1 32 30 GLU . 7276 1 33 31 HIS . 7276 1 34 32 GLN . 7276 1 35 33 LEU . 7276 1 36 34 LEU . 7276 1 37 35 TYR . 7276 1 38 36 LEU . 7276 1 39 37 GLN . 7276 1 40 38 HIS . 7276 1 41 39 GLN . 7276 1 42 40 LEU . 7276 1 43 41 ASP . 7276 1 44 42 GLU . 7276 1 45 43 LEU . 7276 1 46 44 ASN . 7276 1 47 45 GLU . 7276 1 48 46 ASN . 7276 1 49 47 LYS . 7276 1 50 48 SER . 7276 1 51 49 LYS . 7276 1 52 50 GLU . 7276 1 53 51 LEU . 7276 1 54 52 GLN . 7276 1 55 53 GLU . 7276 1 56 54 LYS . 7276 1 57 55 ILE . 7276 1 58 56 ILE . 7276 1 59 57 ARG . 7276 1 60 58 GLU . 7276 1 61 59 LEU . 7276 1 62 60 ASP . 7276 1 63 61 VAL . 7276 1 64 62 VAL . 7276 1 65 63 CYS . 7276 1 66 64 ALA . 7276 1 67 65 MET . 7276 1 68 66 ILE . 7276 1 69 67 GLU . 7276 1 70 68 GLY . 7276 1 71 69 ALA . 7276 1 72 70 GLN . 7276 1 73 71 GLY . 7276 1 74 72 ALA . 7276 1 75 73 LEU . 7276 1 76 74 GLU . 7276 1 77 75 ARG . 7276 1 78 76 GLU . 7276 1 79 77 LEU . 7276 1 80 78 LYS . 7276 1 81 79 ARG . 7276 1 82 80 THR . 7276 1 83 81 ASP . 7276 1 84 82 LEU . 7276 1 85 83 ASN . 7276 1 86 84 ILE . 7276 1 87 85 LEU . 7276 1 88 86 GLU . 7276 1 89 87 ARG . 7276 1 90 88 PHE . 7276 1 91 89 ASN . 7276 1 92 90 TYR . 7276 1 93 91 GLU . 7276 1 94 92 GLU . 7276 1 95 93 ALA . 7276 1 96 94 GLN . 7276 1 97 95 THR . 7276 1 98 96 LEU . 7276 1 99 97 SER . 7276 1 100 98 LYS . 7276 1 101 99 ILE . 7276 1 102 100 LEU . 7276 1 103 101 LEU . 7276 1 104 102 LYS . 7276 1 105 103 ASP . 7276 1 106 104 LEU . 7276 1 107 105 LYS . 7276 1 108 106 GLU . 7276 1 109 107 THR . 7276 1 110 108 GLU . 7276 1 111 109 GLN . 7276 1 112 110 LYS . 7276 1 113 111 VAL . 7276 1 114 112 LYS . 7276 1 115 113 ASP . 7276 1 116 114 ILE . 7276 1 117 115 GLN . 7276 1 118 116 THR . 7276 1 119 117 GLN . 7276 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 7276 1 . SER 2 2 7276 1 . GLN 3 3 7276 1 . GLU 4 4 7276 1 . HIS 5 5 7276 1 . LYS 6 6 7276 1 . PRO 7 7 7276 1 . LYS 8 8 7276 1 . LYS 9 9 7276 1 . ASP 10 10 7276 1 . ASP 11 11 7276 1 . PHE 12 12 7276 1 . ARG 13 13 7276 1 . ASN 14 14 7276 1 . GLU 15 15 7276 1 . PHE 16 16 7276 1 . ASP 17 17 7276 1 . HIS 18 18 7276 1 . LEU 19 19 7276 1 . LEU 20 20 7276 1 . ILE 21 21 7276 1 . GLU 22 22 7276 1 . GLN 23 23 7276 1 . ALA 24 24 7276 1 . ASN 25 25 7276 1 . HIS 26 26 7276 1 . ALA 27 27 7276 1 . ILE 28 28 7276 1 . GLU 29 29 7276 1 . LYS 30 30 7276 1 . GLY 31 31 7276 1 . GLU 32 32 7276 1 . HIS 33 33 7276 1 . GLN 34 34 7276 1 . LEU 35 35 7276 1 . LEU 36 36 7276 1 . TYR 37 37 7276 1 . LEU 38 38 7276 1 . GLN 39 39 7276 1 . HIS 40 40 7276 1 . GLN 41 41 7276 1 . LEU 42 42 7276 1 . ASP 43 43 7276 1 . GLU 44 44 7276 1 . LEU 45 45 7276 1 . ASN 46 46 7276 1 . GLU 47 47 7276 1 . ASN 48 48 7276 1 . LYS 49 49 7276 1 . SER 50 50 7276 1 . LYS 51 51 7276 1 . GLU 52 52 7276 1 . LEU 53 53 7276 1 . GLN 54 54 7276 1 . GLU 55 55 7276 1 . LYS 56 56 7276 1 . ILE 57 57 7276 1 . ILE 58 58 7276 1 . ARG 59 59 7276 1 . GLU 60 60 7276 1 . LEU 61 61 7276 1 . ASP 62 62 7276 1 . VAL 63 63 7276 1 . VAL 64 64 7276 1 . CYS 65 65 7276 1 . ALA 66 66 7276 1 . MET 67 67 7276 1 . ILE 68 68 7276 1 . GLU 69 69 7276 1 . GLY 70 70 7276 1 . ALA 71 71 7276 1 . GLN 72 72 7276 1 . GLY 73 73 7276 1 . ALA 74 74 7276 1 . LEU 75 75 7276 1 . GLU 76 76 7276 1 . ARG 77 77 7276 1 . GLU 78 78 7276 1 . LEU 79 79 7276 1 . LYS 80 80 7276 1 . ARG 81 81 7276 1 . THR 82 82 7276 1 . ASP 83 83 7276 1 . LEU 84 84 7276 1 . ASN 85 85 7276 1 . ILE 86 86 7276 1 . LEU 87 87 7276 1 . GLU 88 88 7276 1 . ARG 89 89 7276 1 . PHE 90 90 7276 1 . ASN 91 91 7276 1 . TYR 92 92 7276 1 . GLU 93 93 7276 1 . GLU 94 94 7276 1 . ALA 95 95 7276 1 . GLN 96 96 7276 1 . THR 97 97 7276 1 . LEU 98 98 7276 1 . SER 99 99 7276 1 . LYS 100 100 7276 1 . ILE 101 101 7276 1 . LEU 102 102 7276 1 . LEU 103 103 7276 1 . LYS 104 104 7276 1 . ASP 105 105 7276 1 . LEU 106 106 7276 1 . LYS 107 107 7276 1 . GLU 108 108 7276 1 . THR 109 109 7276 1 . GLU 110 110 7276 1 . GLN 111 111 7276 1 . LYS 112 112 7276 1 . VAL 113 113 7276 1 . LYS 114 114 7276 1 . ASP 115 115 7276 1 . ILE 116 116 7276 1 . GLN 117 117 7276 1 . THR 118 118 7276 1 . GLN 119 119 7276 1 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 7276 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Subvariant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $Blo_t_5 . 40697 organism no 'Blomia tropicalis' 'House dust mite' . . Eukaryota Metazoa 'mites and ticks' 'Blomia tropicalis' . . . . . . . . . . . . . . . . BLOT5 . . . . 7276 1 stop_ loop_ _Natural_source_db.Entity_natural_src_ID _Natural_source_db.Entity_ID _Natural_source_db.Entity_label _Natural_source_db.Entity_chimera_segment_ID _Natural_source_db.Database_code _Natural_source_db.Database_type _Natural_source_db.Entry_code _Natural_source_db.Entry_type _Natural_source_db.ORF_code _Natural_source_db.Gene_locus_code _Natural_source_db.Gene_cDNA_code _Natural_source_db.Entry_ID _Natural_source_db.Entity_natural_src_list_ID . 1 $Blo_t_5 . UniProtKB/Swiss-Prot . O96870 original . BTU59102 . 7276 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 7276 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $Blo_t_5 . 'recombinant technology' . 'E. coli' . 562 Escherichia . BL21 . . . . . . . . . . . . plasmid . . pGEX4T-1 . 'Amersham Biosciences' . . . . 7276 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 7276 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details '13C, 15N Blo t 5' _Sample.Aggregate_sample_number 3 _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'Blo t 5' '[U-13C; U-15N]' . . 1 $Blo_t_5 . protein 1 0.95 1.05 mM 0.05 . . . 7276 1 2 'Potassium Phosphate' . . . . . . buffer 50 49.99 50.01 mM 0.01 . . . 7276 1 3 'Sodium Chloride' . . . . . . salt 100 99.99 100.01 mM 0.01 . . . 7276 1 4 EDTA . . . . . . 'chelating agent' 2 1.99 2.01 mM 0.01 . . . 7276 1 5 'Sodium Azide' . . . . . . 'antimicrobial agent' 0.001 0.0009 0.0011 % 0.0001 . . . 7276 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 7276 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details '15N Blo t 5' _Sample.Aggregate_sample_number 3 _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'Blo t 5' [U-15N] . . 1 $Blo_t_5 . protein 1 0.95 1.05 mM 0.05 . . . 7276 2 2 'Potassium Phosphate' . . . . . . buffer 50 49.99 50.01 mM 0.01 . . . 7276 2 3 'Sodium Chloride' . . . . . . salt 100 99.99 100.01 mM 0.01 . . . 7276 2 4 EDTA . . . . . . 'chelating agent' 2 1.99 2.01 mM 0.01 . . . 7276 2 5 'Sodium Azide' . . . . . . 'antimicrobial agent' 0.001 0.0009 0.0011 % 0.0001 . . . 7276 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 7276 _Sample.ID 3 _Sample.Type solution _Sample.Sub_type . _Sample.Details 'Blo t 5' _Sample.Aggregate_sample_number 3 _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'Blo t 5' . . . 1 $Blo_t_5 . protein 1 0.95 1.05 mM 0.05 . . . 7276 3 2 'Potassium Phosphate' . . . . . . buffer 50 49.99 50.01 mM 0.01 . . . 7276 3 3 'Sodium Chloride' . . . . . . salt 100 99.99 100.01 mM 0.01 . . . 7276 3 4 EDTA . . . . . . 'chelating agent' 2 1.99 2.01 mM 0.01 . . . 7276 3 5 'Sodium Azide' . . . . . . 'antimicrobial agent' 0.001 0.0009 0.0011 % 0.0001 . . . 7276 3 stop_ save_ save_sample_4 _Sample.Sf_category sample _Sample.Sf_framecode sample_4 _Sample.Entry_ID 7276 _Sample.ID 4 _Sample.Type solution _Sample.Sub_type . _Sample.Details '10% 13C Blo t 5' _Sample.Aggregate_sample_number 3 _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'Blo t 5' '[U-10% 13C]' . . 1 $Blo_t_5 . protein 0.8 0.75 0.85 mM 0.05 . . . 7276 4 2 'Potassium Phosphate' . . . . . . buffer 50 49.99 50.01 mM 0.01 . . . 7276 4 3 'Sodium Chloride' . . . . . . salt 100 99.99 100.01 mM 0.01 . . . 7276 4 4 EDTA . . . . . . 'chelating agent' 2 1.99 2.01 mM 0.01 . . . 7276 4 5 'Sodium Azide' . . . . . . 'antimicrobial agent' 0.001 0.0009 0.0011 % 0.0001 . . . 7276 4 stop_ save_ save_sample_5 _Sample.Sf_category sample _Sample.Sf_framecode sample_5 _Sample.Entry_ID 7276 _Sample.ID 5 _Sample.Type solution _Sample.Sub_type . _Sample.Details 'Only 15N Lys and 15N Leu Blo t 5' _Sample.Aggregate_sample_number 3 _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'Blo t 5' [15N]-Lys,Leu . . 1 $Blo_t_5 . protein 0.8 0.75 0.85 mM 0.05 . . . 7276 5 2 'Potassium Phosphate' . . . . . . buffer 50 49.99 50.01 mM 0.01 . . . 7276 5 3 'Sodium Chloride' . . . . . . salt 100 99.99 100.01 mM 0.01 . . . 7276 5 4 EDTA . . . . . . 'chelating agent' 2 1.99 2.01 mM 0.01 . . . 7276 5 5 'Sodium Azide' . . . . . . 'antimicrobial agent' 0.001 0.0009 0.0011 % 0.0001 . . . 7276 5 stop_ save_ ####################### # Sample conditions # ####################### save_ph7.5_295K _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode ph7.5_295K _Sample_condition_list.Entry_ID 7276 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 7.5 0.01 pH 7276 1 temperature 295 0.1 K 7276 1 stop_ save_ ############################ # Computer software used # ############################ save_XWinNMR _Software.Sf_category software _Software.Sf_framecode XWinNMR _Software.Entry_ID 7276 _Software.ID 1 _Software.Name xwinnmr _Software.Version 3.5 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Bruker Germany . 7276 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'NMR data acquisition' 7276 1 processing 7276 1 stop_ save_ save_Sparky _Software.Sf_category software _Software.Sf_framecode Sparky _Software.Entry_ID 7276 _Software.ID 2 _Software.Name SPARKY _Software.Version 3.112 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID UCSF USA . 7276 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'NMR data analysis' 7276 2 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_600MHz _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode 600MHz _NMR_spectrometer.Entry_ID 7276 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_500MHz _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode 500MHz _NMR_spectrometer.Entry_ID 7276 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_800MHz _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode 800MHz _NMR_spectrometer.Entry_ID 7276 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ ############################# # NMR applied experiments # ############################# save_NMR_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode NMR_experiment_list _Experiment_list.Entry_ID 7276 _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 '15N HSQC' no . . . . . . . . . . 2 $sample_2 . . . 1 $ph7.5_295K . . . 1 $600MHz . . . . . . . . . . . . . . . . 7276 1 2 '13C HSQC' no . . . . . . . . . . 1 $sample_1 . . . 1 $ph7.5_295K . . . 1 $600MHz . . . . . . . . . . . . . . . . 7276 1 3 HNCa no . . . . . . . . . . 1 $sample_1 . . . 1 $ph7.5_295K . . . 2 $500MHz . . . . . . . . . . . . . . . . 7276 1 4 HN(CO)Ca no . . . . . . . . . . 1 $sample_1 . . . 1 $ph7.5_295K . . . 1 $600MHz . . . . . . . . . . . . . . . . 7276 1 5 HNCaCb no . . . . . . . . . . 1 $sample_1 . . . 1 $ph7.5_295K . . . 1 $600MHz . . . . . . . . . . . . . . . . 7276 1 6 CbCa(CO)NH no . . . . . . . . . . 1 $sample_1 . . . 1 $ph7.5_295K . . . 1 $600MHz . . . . . . . . . . . . . . . . 7276 1 7 HNCO no . . . . . . . . . . 1 $sample_1 . . . 1 $ph7.5_295K . . . 1 $600MHz . . . . . . . . . . . . . . . . 7276 1 8 HN(Ca)CO no . . . . . . . . . . 1 $sample_1 . . . 1 $ph7.5_295K . . . 1 $600MHz . . . . . . . . . . . . . . . . 7276 1 9 HCaCO no . . . . . . . . . . 1 $sample_1 . . . 1 $ph7.5_295K . . . 1 $600MHz . . . . . . . . . . . . . . . . 7276 1 10 HbHa(CO)NH no . . . . . . . . . . 1 $sample_1 . . . 1 $ph7.5_295K . . . 1 $600MHz . . . . . . . . . . . . . . . . 7276 1 11 (H)C(CO)NH no . . . . . . . . . . 1 $sample_1 . . . 1 $ph7.5_295K . . . 2 $500MHz . . . . . . . . . . . . . . . . 7276 1 12 H(CCO)NH no . . . . . . . . . . 1 $sample_1 . . . 1 $ph7.5_295K . . . 2 $500MHz . . . . . . . . . . . . . . . . 7276 1 13 15N_TocsyHSQC no . . . . . . . . . . 1 $sample_1 . . . 1 $ph7.5_295K . . . 2 $500MHz . . . . . . . . . . . . . . . . 7276 1 14 HCCH-Cosy no . . . . . . . . . . 1 $sample_1 . . . 1 $ph7.5_295K . . . 1 $600MHz . . . . . . . . . . . . . . . . 7276 1 15 CCH-Tocsy no . . . . . . . . . . 1 $sample_1 . . . 1 $ph7.5_295K . . . 1 $600MHz . . . . . . . . . . . . . . . . 7276 1 16 HCCH-Tocsy no . . . . . . . . . . 1 $sample_1 . . . 1 $ph7.5_295K . . . 3 $800MHz . . . . . . . . . . . . . . . . 7276 1 17 Cosy no . . . . . . . . . . 3 $sample_3 . . . 1 $ph7.5_295K . . . 2 $500MHz . . . . . . . . . . . . . . . . 7276 1 18 '15N edited NoesyHSQC' no . . . . . . . . . . . . . . . 1 $ph7.5_295K . . . . . . . . . . . . . . . . . . . . . 7276 1 19 '13C edited NoesyHSQC' no . . . . . . . . . . . . . . . 1 $ph7.5_295K . . . . . . . . . . . . . . . . . . . . . 7276 1 20 Tocsy no . . . . . . . . . . 3 $sample_3 . . . 1 $ph7.5_295K . . . 2 $500MHz . . . . . . . . . . . . . . . . 7276 1 21 Noesy no . . . . . . . . . . 3 $sample_3 . . . 1 $ph7.5_295K . . . 2 $500MHz . . . . . . . . . . . . . . . . 7276 1 22 (Hb)Cb(CgCd)Hd no . . . . . . . . . . 1 $sample_1 . . . 1 $ph7.5_295K . . . 3 $800MHz . . . . . . . . . . . . . . . . 7276 1 23 (Hb)Cb(CgCdCe)He no . . . . . . . . . . 1 $sample_1 . . . 1 $ph7.5_295K . . . 3 $800MHz . . . . . . . . . . . . . . . . 7276 1 24 '15N HMBC' no . . . . . . . . . . 2 $sample_2 . . . 1 $ph7.5_295K . . . 1 $600MHz . . . . . . . . . . . . . . . . 7276 1 25 '15N HMQC' no . . . . . . . . . . 2 $sample_2 . . . 1 $ph7.5_295K . . . 1 $600MHz . . . . . . . . . . . . . . . . 7276 1 26 HNHa no . . . . . . . . . . 1 $sample_1 . . . 1 $ph7.5_295K . . . 1 $600MHz . . . . . . . . . . . . . . . . 7276 1 27 '13C CT-HSQC' no . . . . . . . . . . 4 $sample_4 . . . 1 $ph7.5_295K . . . 1 $600MHz . . . . . . . . . . . . . . . . 7276 1 stop_ save_ save_15N_HSQC _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode 15N_HSQC _NMR_spec_expt.Entry_ID 7276 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name '15N HSQC' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $600MHz _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID 1 _NMR_spec_expt.Software_label $XWinNMR _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_13C_HSQC _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode 13C_HSQC _NMR_spec_expt.Entry_ID 7276 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name '13C HSQC' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $600MHz _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID 1 _NMR_spec_expt.Software_label $XWinNMR _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_HNCa _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode HNCa _NMR_spec_expt.Entry_ID 7276 _NMR_spec_expt.ID 3 _NMR_spec_expt.Name HNCa _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 2 _NMR_spec_expt.NMR_spectrometer_label $500MHz _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID 1 _NMR_spec_expt.Software_label $XWinNMR _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_HN(CO)Ca _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode HN(CO)Ca _NMR_spec_expt.Entry_ID 7276 _NMR_spec_expt.ID 4 _NMR_spec_expt.Name HN(CO)Ca _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $600MHz _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID 1 _NMR_spec_expt.Software_label $XWinNMR _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_HNCaCb _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode HNCaCb _NMR_spec_expt.Entry_ID 7276 _NMR_spec_expt.ID 5 _NMR_spec_expt.Name HNCaCb _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $600MHz _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID 1 _NMR_spec_expt.Software_label $XWinNMR _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_CbCa(CO)NH _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode CbCa(CO)NH _NMR_spec_expt.Entry_ID 7276 _NMR_spec_expt.ID 6 _NMR_spec_expt.Name CbCa(CO)NH _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $600MHz _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID 1 _NMR_spec_expt.Software_label $XWinNMR _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_HNCO _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode HNCO _NMR_spec_expt.Entry_ID 7276 _NMR_spec_expt.ID 7 _NMR_spec_expt.Name HNCO _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $600MHz _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID 1 _NMR_spec_expt.Software_label $XWinNMR _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_HN(Ca)CO _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode HN(Ca)CO _NMR_spec_expt.Entry_ID 7276 _NMR_spec_expt.ID 8 _NMR_spec_expt.Name HN(Ca)CO _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $600MHz _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID 1 _NMR_spec_expt.Software_label $XWinNMR _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_HCaCO _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode HCaCO _NMR_spec_expt.Entry_ID 7276 _NMR_spec_expt.ID 9 _NMR_spec_expt.Name HCaCO _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $600MHz _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID 1 _NMR_spec_expt.Software_label $XWinNMR _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_HbHa(CO)NH _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode HbHa(CO)NH _NMR_spec_expt.Entry_ID 7276 _NMR_spec_expt.ID 10 _NMR_spec_expt.Name HbHa(CO)NH _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $600MHz _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID 1 _NMR_spec_expt.Software_label $XWinNMR _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_(H)C(CO)NH _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode (H)C(CO)NH _NMR_spec_expt.Entry_ID 7276 _NMR_spec_expt.ID 11 _NMR_spec_expt.Name (H)C(CO)NH _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 2 _NMR_spec_expt.NMR_spectrometer_label $500MHz _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID 1 _NMR_spec_expt.Software_label $XWinNMR _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_H(CCO)NH _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode H(CCO)NH _NMR_spec_expt.Entry_ID 7276 _NMR_spec_expt.ID 12 _NMR_spec_expt.Name H(CCO)NH _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 2 _NMR_spec_expt.NMR_spectrometer_label $500MHz _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID 1 _NMR_spec_expt.Software_label $XWinNMR _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_15N_TocsyHSQC _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode 15N_TocsyHSQC _NMR_spec_expt.Entry_ID 7276 _NMR_spec_expt.ID 13 _NMR_spec_expt.Name '15N Tocsy HSQC' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 2 _NMR_spec_expt.NMR_spectrometer_label $500MHz _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID 1 _NMR_spec_expt.Software_label $XWinNMR _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_HCCH-Cosy _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode HCCH-Cosy _NMR_spec_expt.Entry_ID 7276 _NMR_spec_expt.ID 14 _NMR_spec_expt.Name HCCH-Cosy _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $600MHz _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID 1 _NMR_spec_expt.Software_label $XWinNMR _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_CCH-Tocsy _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode CCH-Tocsy _NMR_spec_expt.Entry_ID 7276 _NMR_spec_expt.ID 15 _NMR_spec_expt.Name CCH-Tocsy _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $600MHz _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID 1 _NMR_spec_expt.Software_label $XWinNMR _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_HCCH-Tocsy _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode HCCH-Tocsy _NMR_spec_expt.Entry_ID 7276 _NMR_spec_expt.ID 16 _NMR_spec_expt.Name HCCH-Tocsy _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 3 _NMR_spec_expt.NMR_spectrometer_label $800MHz _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID 1 _NMR_spec_expt.Software_label $XWinNMR _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_Cosy _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode Cosy _NMR_spec_expt.Entry_ID 7276 _NMR_spec_expt.ID 17 _NMR_spec_expt.Name Cosy _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 2 _NMR_spec_expt.NMR_spectrometer_label $500MHz _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID 1 _NMR_spec_expt.Software_label $XWinNMR _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_15N_edited_NoesyHSQC _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode 15N_edited_NoesyHSQC _NMR_spec_expt.Entry_ID 7276 _NMR_spec_expt.ID 18 _NMR_spec_expt.Name '15N edited Noesy HSQC' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 3 _NMR_spec_expt.NMR_spectrometer_label $800MHz _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID 1 _NMR_spec_expt.Software_label $XWinNMR _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_13C_edited_NoesyHSQC _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode 13C_edited_NoesyHSQC _NMR_spec_expt.Entry_ID 7276 _NMR_spec_expt.ID 19 _NMR_spec_expt.Name '13C edited Noesy HSQC' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 3 _NMR_spec_expt.NMR_spectrometer_label $800MHz _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID 1 _NMR_spec_expt.Software_label $XWinNMR _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_Tocsy _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode Tocsy _NMR_spec_expt.Entry_ID 7276 _NMR_spec_expt.ID 20 _NMR_spec_expt.Name Tocsy _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 2 _NMR_spec_expt.NMR_spectrometer_label $500MHz _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID 1 _NMR_spec_expt.Software_label $XWinNMR _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_Noesy _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode Noesy _NMR_spec_expt.Entry_ID 7276 _NMR_spec_expt.ID 21 _NMR_spec_expt.Name Noesy _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 2 _NMR_spec_expt.NMR_spectrometer_label $500MHz _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID 1 _NMR_spec_expt.Software_label $XWinNMR _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_(Hb)Cb(CgCd)Hd _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode (Hb)Cb(CgCd)Hd _NMR_spec_expt.Entry_ID 7276 _NMR_spec_expt.ID 22 _NMR_spec_expt.Name (Hb)Cb(CgCd)Hd _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 3 _NMR_spec_expt.NMR_spectrometer_label $800MHz _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID 1 _NMR_spec_expt.Software_label $XWinNMR _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_(Hb)Cb(CgCdCe)He _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode (Hb)Cb(CgCdCe)He _NMR_spec_expt.Entry_ID 7276 _NMR_spec_expt.ID 23 _NMR_spec_expt.Name (Hb)Cb(CgCdCe)He _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 3 _NMR_spec_expt.NMR_spectrometer_label $800MHz _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID 1 _NMR_spec_expt.Software_label $XWinNMR _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_15N_HMBC _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode 15N_HMBC _NMR_spec_expt.Entry_ID 7276 _NMR_spec_expt.ID 24 _NMR_spec_expt.Name '15N HMBC' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $600MHz _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID 1 _NMR_spec_expt.Software_label $XWinNMR _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_15N_HMQC _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode 15N_HMQC _NMR_spec_expt.Entry_ID 7276 _NMR_spec_expt.ID 25 _NMR_spec_expt.Name '15N HMQC' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $600MHz _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID 1 _NMR_spec_expt.Software_label $XWinNMR _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_HNHa _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode HNHa _NMR_spec_expt.Entry_ID 7276 _NMR_spec_expt.ID 26 _NMR_spec_expt.Name HNHa _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $600MHz _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID 1 _NMR_spec_expt.Software_label $XWinNMR _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_13C_CT-HSQC _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode 13C_CT-HSQC _NMR_spec_expt.Entry_ID 7276 _NMR_spec_expt.ID 27 _NMR_spec_expt.Name '13C CT-HSQC' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $600MHz _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID 1 _NMR_spec_expt.Software_label $XWinNMR _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_referencing _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_referencing _Chem_shift_reference.Entry_ID 7276 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . 1 $entry_citation . . 1 $entry_citation 7276 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1.0 . . . 1 $entry_citation . . 1 $entry_citation 7276 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . 1 $entry_citation . . 1 $entry_citation 7276 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 7276 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $ph7.5_295K _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_referencing _Assigned_chem_shift_list.Chem_shift_1H_err 0.02 _Assigned_chem_shift_list.Chem_shift_13C_err 0.4 _Assigned_chem_shift_list.Chem_shift_15N_err 0.4 _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 '15N HSQC' 2 $sample_2 isotropic 7276 1 2 '13C HSQC' 1 $sample_1 isotropic 7276 1 3 HNCa 1 $sample_1 isotropic 7276 1 4 HN(CO)Ca 1 $sample_1 isotropic 7276 1 5 HNCaCb 1 $sample_1 isotropic 7276 1 6 CbCa(CO)NH 1 $sample_1 isotropic 7276 1 7 HNCO 1 $sample_1 isotropic 7276 1 9 HCaCO 1 $sample_1 isotropic 7276 1 10 HbHa(CO)NH 1 $sample_1 isotropic 7276 1 11 (H)C(CO)NH 1 $sample_1 isotropic 7276 1 12 H(CCO)NH 1 $sample_1 isotropic 7276 1 13 15N_TocsyHSQC 2 $sample_2 isotropic 7276 1 14 HCCH-Cosy 1 $sample_1 isotropic 7276 1 15 CCH-Tocsy 1 $sample_1 isotropic 7276 1 16 HCCH-Tocsy 1 $sample_1 isotropic 7276 1 17 Cosy 3 $sample_3 isotropic 7276 1 18 '15N edited NoesyHSQC' 2 $sample_2 isotropic 7276 1 19 '13C edited NoesyHSQC' 1 $sample_1 isotropic 7276 1 20 Tocsy 3 $sample_3 isotropic 7276 1 21 Noesy 3 $sample_3 isotropic 7276 1 22 (Hb)Cb(CgCd)Hd 1 $sample_1 isotropic 7276 1 23 (Hb)Cb(CgCdCe)He 1 $sample_1 isotropic 7276 1 24 '15N HMBC' 2 $sample_2 isotropic 7276 1 25 '15N HMQC' 2 $sample_2 isotropic 7276 1 26 HNHa 1 $sample_1 isotropic 7276 1 27 '13C CT-HSQC' 4 $sample_4 isotropic 7276 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $XWinNMR . . 7276 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 GLY HA2 H 1 3.864 0.020 . 1 . . . . -2 GLY HA2 . 7276 1 2 . 1 1 1 1 GLY HA3 H 1 3.864 0.020 . 1 . . . . -2 GLY HA3 . 7276 1 3 . 1 1 1 1 GLY C C 13 171.657 0.400 . 1 . . . . -2 GLY C . 7276 1 4 . 1 1 1 1 GLY CA C 13 43.848 0.400 . 1 . . . . -2 GLY CA . 7276 1 5 . 1 1 2 2 SER HA H 1 4.491 0.020 . 1 . . . . -1 SER HA . 7276 1 6 . 1 1 2 2 SER HB2 H 1 3.890 0.020 . 1 . . . . -1 SER HB2 . 7276 1 7 . 1 1 2 2 SER HB3 H 1 3.890 0.020 . 1 . . . . -1 SER HB3 . 7276 1 8 . 1 1 2 2 SER C C 13 174.914 0.400 . 1 . . . . -1 SER C . 7276 1 9 . 1 1 2 2 SER CA C 13 58.785 0.400 . 1 . . . . -1 SER CA . 7276 1 10 . 1 1 2 2 SER CB C 13 64.015 0.400 . 1 . . . . -1 SER CB . 7276 1 11 . 1 1 3 3 GLN HA H 1 3.863 0.020 . 1 . . . . 1 GLN HA . 7276 1 12 . 1 1 3 3 GLN HB2 H 1 2.005 0.020 . 1 . . . . 1 GLN HB2 . 7276 1 13 . 1 1 3 3 GLN HB3 H 1 2.005 0.020 . 1 . . . . 1 GLN HB3 . 7276 1 14 . 1 1 3 3 GLN HG2 H 1 2.295 0.020 . 1 . . . . 1 GLN HG2 . 7276 1 15 . 1 1 3 3 GLN HG3 H 1 2.295 0.020 . 1 . . . . 1 GLN HG3 . 7276 1 16 . 1 1 3 3 GLN HE21 H 1 6.846 0.020 . 2 . . . . 1 GLN HE21 . 7276 1 17 . 1 1 3 3 GLN HE22 H 1 6.627 0.020 . 2 . . . . 1 GLN HE22 . 7276 1 18 . 1 1 3 3 GLN C C 13 176.006 0.400 . 1 . . . . 1 GLN C . 7276 1 19 . 1 1 3 3 GLN CA C 13 56.221 0.400 . 1 . . . . 1 GLN CA . 7276 1 20 . 1 1 3 3 GLN CB C 13 31.334 0.400 . 1 . . . . 1 GLN CB . 7276 1 21 . 1 1 3 3 GLN CG C 13 36.407 0.400 . 1 . . . . 1 GLN CG . 7276 1 22 . 1 1 3 3 GLN CD C 13 179.139 0.400 . 1 . . . . 1 GLN CD . 7276 1 23 . 1 1 3 3 GLN NE2 N 15 111.503 0.400 . 1 . . . . 1 GLN NE2 . 7276 1 24 . 1 1 4 4 GLU H H 1 8.427 0.020 . 1 . . . . 2 GLU H . 7276 1 25 . 1 1 4 4 GLU HA H 1 4.220 0.020 . 1 . . . . 2 GLU HA . 7276 1 26 . 1 1 4 4 GLU HB2 H 1 1.953 0.020 . 2 . . . . 2 GLU HB2 . 7276 1 27 . 1 1 4 4 GLU HB3 H 1 1.897 0.020 . 2 . . . . 2 GLU HB3 . 7276 1 28 . 1 1 4 4 GLU HG2 H 1 2.175 0.020 . 1 . . . . 2 GLU HG2 . 7276 1 29 . 1 1 4 4 GLU HG3 H 1 2.175 0.020 . 1 . . . . 2 GLU HG3 . 7276 1 30 . 1 1 4 4 GLU C C 13 176.182 0.400 . 1 . . . . 2 GLU C . 7276 1 31 . 1 1 4 4 GLU CA C 13 56.926 0.400 . 1 . . . . 2 GLU CA . 7276 1 32 . 1 1 4 4 GLU CB C 13 30.405 0.400 . 1 . . . . 2 GLU CB . 7276 1 33 . 1 1 4 4 GLU CG C 13 36.143 0.400 . 1 . . . . 2 GLU CG . 7276 1 34 . 1 1 4 4 GLU CD C 13 183.870 0.400 . 1 . . . . 2 GLU CD . 7276 1 35 . 1 1 4 4 GLU N N 15 121.784 0.400 . 1 . . . . 2 GLU N . 7276 1 36 . 1 1 5 5 HIS H H 1 8.383 0.020 . 1 . . . . 3 HIS H . 7276 1 37 . 1 1 5 5 HIS HA H 1 4.637 0.020 . 1 . . . . 3 HIS HA . 7276 1 38 . 1 1 5 5 HIS HB2 H 1 3.084 0.020 . 2 . . . . 3 HIS HB2 . 7276 1 39 . 1 1 5 5 HIS HB3 H 1 3.049 0.020 . 2 . . . . 3 HIS HB3 . 7276 1 40 . 1 1 5 5 HIS HD2 H 1 7.005 0.020 . 1 . . . . 3 HIS HD2 . 7276 1 41 . 1 1 5 5 HIS C C 13 175.019 0.400 . 1 . . . . 3 HIS C . 7276 1 42 . 1 1 5 5 HIS CA C 13 56.132 0.400 . 1 . . . . 3 HIS CA . 7276 1 43 . 1 1 5 5 HIS CB C 13 30.980 0.400 . 1 . . . . 3 HIS CB . 7276 1 44 . 1 1 5 5 HIS CD2 C 13 120.235 0.400 . 1 . . . . 3 HIS CD2 . 7276 1 45 . 1 1 5 5 HIS N N 15 120.837 0.400 . 1 . . . . 3 HIS N . 7276 1 46 . 1 1 5 5 HIS ND1 N 15 187.624 0.400 . 1 . . . . 3 HIS ND1 . 7276 1 47 . 1 1 5 5 HIS NE2 N 15 181.012 0.400 . 1 . . . . 3 HIS NE2 . 7276 1 48 . 1 1 6 6 LYS H H 1 8.218 0.020 . 1 . . . . 4 LYS H . 7276 1 49 . 1 1 6 6 LYS HA H 1 4.598 0.020 . 1 . . . . 4 LYS HA . 7276 1 50 . 1 1 6 6 LYS HB2 H 1 1.794 0.020 . 2 . . . . 4 LYS HB2 . 7276 1 51 . 1 1 6 6 LYS HB3 H 1 1.692 0.020 . 2 . . . . 4 LYS HB3 . 7276 1 52 . 1 1 6 6 LYS HG2 H 1 1.428 0.020 . 1 . . . . 4 LYS HG2 . 7276 1 53 . 1 1 6 6 LYS HG3 H 1 1.428 0.020 . 1 . . . . 4 LYS HG3 . 7276 1 54 . 1 1 6 6 LYS HD2 H 1 1.704 0.020 . 1 . . . . 4 LYS HD2 . 7276 1 55 . 1 1 6 6 LYS HD3 H 1 1.704 0.020 . 1 . . . . 4 LYS HD3 . 7276 1 56 . 1 1 6 6 LYS HE2 H 1 3.006 0.020 . 1 . . . . 4 LYS HE2 . 7276 1 57 . 1 1 6 6 LYS HE3 H 1 3.006 0.020 . 1 . . . . 4 LYS HE3 . 7276 1 58 . 1 1 6 6 LYS C C 13 174.197 0.400 . 1 . . . . 4 LYS C . 7276 1 59 . 1 1 6 6 LYS CA C 13 54.011 0.400 . 1 . . . . 4 LYS CA . 7276 1 60 . 1 1 6 6 LYS CB C 13 32.752 0.400 . 1 . . . . 4 LYS CB . 7276 1 61 . 1 1 6 6 LYS CG C 13 24.826 0.400 . 1 . . . . 4 LYS CG . 7276 1 62 . 1 1 6 6 LYS CD C 13 29.410 0.400 . 1 . . . . 4 LYS CD . 7276 1 63 . 1 1 6 6 LYS CE C 13 41.440 0.400 . 1 . . . . 4 LYS CE . 7276 1 64 . 1 1 6 6 LYS N N 15 124.535 0.400 . 1 . . . . 4 LYS N . 7276 1 65 . 1 1 7 7 PRO HA H 1 4.402 0.020 . 1 . . . . 5 PRO HA . 7276 1 66 . 1 1 7 7 PRO HB2 H 1 2.305 0.020 . 2 . . . . 5 PRO HB2 . 7276 1 67 . 1 1 7 7 PRO HB3 H 1 1.901 0.020 . 2 . . . . 5 PRO HB3 . 7276 1 68 . 1 1 7 7 PRO HG2 H 1 2.002 0.020 . 1 . . . . 5 PRO HG2 . 7276 1 69 . 1 1 7 7 PRO HG3 H 1 2.002 0.020 . 1 . . . . 5 PRO HG3 . 7276 1 70 . 1 1 7 7 PRO HD2 H 1 3.724 0.020 . 2 . . . . 5 PRO HD2 . 7276 1 71 . 1 1 7 7 PRO HD3 H 1 3.624 0.020 . 2 . . . . 5 PRO HD3 . 7276 1 72 . 1 1 7 7 PRO C C 13 176.806 0.400 . 1 . . . . 5 PRO C . 7276 1 73 . 1 1 7 7 PRO CA C 13 63.148 0.400 . 1 . . . . 5 PRO CA . 7276 1 74 . 1 1 7 7 PRO CB C 13 32.277 0.400 . 1 . . . . 5 PRO CB . 7276 1 75 . 1 1 7 7 PRO CG C 13 27.462 0.400 . 1 . . . . 5 PRO CG . 7276 1 76 . 1 1 7 7 PRO CD C 13 50.523 0.400 . 1 . . . . 5 PRO CD . 7276 1 77 . 1 1 8 8 LYS H H 1 8.532 0.020 . 1 . . . . 6 LYS H . 7276 1 78 . 1 1 8 8 LYS HA H 1 4.345 0.020 . 1 . . . . 6 LYS HA . 7276 1 79 . 1 1 8 8 LYS HB2 H 1 1.828 0.020 . 1 . . . . 6 LYS HB2 . 7276 1 80 . 1 1 8 8 LYS HB3 H 1 1.828 0.020 . 1 . . . . 6 LYS HB3 . 7276 1 81 . 1 1 8 8 LYS HG2 H 1 1.437 0.020 . 1 . . . . 6 LYS HG2 . 7276 1 82 . 1 1 8 8 LYS HG3 H 1 1.437 0.020 . 1 . . . . 6 LYS HG3 . 7276 1 83 . 1 1 8 8 LYS HD2 H 1 1.719 0.020 . 1 . . . . 6 LYS HD2 . 7276 1 84 . 1 1 8 8 LYS HD3 H 1 1.719 0.020 . 1 . . . . 6 LYS HD3 . 7276 1 85 . 1 1 8 8 LYS HE2 H 1 3.001 0.020 . 1 . . . . 6 LYS HE2 . 7276 1 86 . 1 1 8 8 LYS HE3 H 1 3.001 0.020 . 1 . . . . 6 LYS HE3 . 7276 1 87 . 1 1 8 8 LYS C C 13 176.840 0.400 . 1 . . . . 6 LYS C . 7276 1 88 . 1 1 8 8 LYS CA C 13 56.207 0.400 . 1 . . . . 6 LYS CA . 7276 1 89 . 1 1 8 8 LYS CB C 13 29.243 0.400 . 1 . . . . 6 LYS CB . 7276 1 90 . 1 1 8 8 LYS CG C 13 24.641 0.400 . 1 . . . . 6 LYS CG . 7276 1 91 . 1 1 8 8 LYS CD C 13 33.436 0.400 . 1 . . . . 6 LYS CD . 7276 1 92 . 1 1 8 8 LYS CE C 13 41.742 0.400 . 1 . . . . 6 LYS CE . 7276 1 93 . 1 1 8 8 LYS N N 15 122.294 0.400 . 1 . . . . 6 LYS N . 7276 1 94 . 1 1 9 9 LYS H H 1 8.462 0.020 . 1 . . . . 7 LYS H . 7276 1 95 . 1 1 9 9 LYS HA H 1 4.222 0.020 . 1 . . . . 7 LYS HA . 7276 1 96 . 1 1 9 9 LYS HB2 H 1 1.928 0.020 . 1 . . . . 7 LYS HB2 . 7276 1 97 . 1 1 9 9 LYS HB3 H 1 1.928 0.020 . 1 . . . . 7 LYS HB3 . 7276 1 98 . 1 1 9 9 LYS HG2 H 1 1.460 0.020 . 1 . . . . 7 LYS HG2 . 7276 1 99 . 1 1 9 9 LYS HG3 H 1 1.460 0.020 . 1 . . . . 7 LYS HG3 . 7276 1 100 . 1 1 9 9 LYS HD2 H 1 1.774 0.020 . 1 . . . . 7 LYS HD2 . 7276 1 101 . 1 1 9 9 LYS HD3 H 1 1.774 0.020 . 1 . . . . 7 LYS HD3 . 7276 1 102 . 1 1 9 9 LYS HE2 H 1 3.008 0.020 . 1 . . . . 7 LYS HE2 . 7276 1 103 . 1 1 9 9 LYS HE3 H 1 3.008 0.020 . 1 . . . . 7 LYS HE3 . 7276 1 104 . 1 1 9 9 LYS C C 13 176.532 0.400 . 1 . . . . 7 LYS C . 7276 1 105 . 1 1 9 9 LYS CA C 13 56.777 0.400 . 1 . . . . 7 LYS CA . 7276 1 106 . 1 1 9 9 LYS CB C 13 30.270 0.400 . 1 . . . . 7 LYS CB . 7276 1 107 . 1 1 9 9 LYS CG C 13 24.288 0.400 . 1 . . . . 7 LYS CG . 7276 1 108 . 1 1 9 9 LYS CD C 13 32.997 0.400 . 1 . . . . 7 LYS CD . 7276 1 109 . 1 1 9 9 LYS CE C 13 42.835 0.400 . 1 . . . . 7 LYS CE . 7276 1 110 . 1 1 9 9 LYS N N 15 123.194 0.400 . 1 . . . . 7 LYS N . 7276 1 111 . 1 1 10 10 ASP H H 1 8.354 0.020 . 1 . . . . 8 ASP H . 7276 1 112 . 1 1 10 10 ASP HA H 1 4.536 0.020 . 1 . . . . 8 ASP HA . 7276 1 113 . 1 1 10 10 ASP HB2 H 1 2.537 0.020 . 1 . . . . 8 ASP HB2 . 7276 1 114 . 1 1 10 10 ASP HB3 H 1 2.537 0.020 . 1 . . . . 8 ASP HB3 . 7276 1 115 . 1 1 10 10 ASP C C 13 175.866 0.400 . 1 . . . . 8 ASP C . 7276 1 116 . 1 1 10 10 ASP CA C 13 54.441 0.400 . 1 . . . . 8 ASP CA . 7276 1 117 . 1 1 10 10 ASP CB C 13 41.154 0.400 . 1 . . . . 8 ASP CB . 7276 1 118 . 1 1 10 10 ASP CG C 13 178.458 0.400 . 1 . . . . 8 ASP CG . 7276 1 119 . 1 1 10 10 ASP N N 15 120.440 0.400 . 1 . . . . 8 ASP N . 7276 1 120 . 1 1 11 11 ASP H H 1 8.124 0.020 . 1 . . . . 9 ASP H . 7276 1 121 . 1 1 11 11 ASP HA H 1 4.581 0.020 . 1 . . . . 9 ASP HA . 7276 1 122 . 1 1 11 11 ASP HB2 H 1 3.159 0.020 . 2 . . . . 9 ASP HB2 . 7276 1 123 . 1 1 11 11 ASP HB3 H 1 3.052 0.020 . 2 . . . . 9 ASP HB3 . 7276 1 124 . 1 1 11 11 ASP C C 13 175.822 0.400 . 1 . . . . 9 ASP C . 7276 1 125 . 1 1 11 11 ASP CA C 13 57.985 0.400 . 1 . . . . 9 ASP CA . 7276 1 126 . 1 1 11 11 ASP CB C 13 39.242 0.400 . 1 . . . . 9 ASP CB . 7276 1 127 . 1 1 11 11 ASP CG C 13 171.079 0.400 . 1 . . . . 9 ASP CG . 7276 1 128 . 1 1 11 11 ASP N N 15 120.282 0.400 . 1 . . . . 9 ASP N . 7276 1 129 . 1 1 12 12 PHE H H 1 8.008 0.020 . 1 . . . . 10 PHE H . 7276 1 130 . 1 1 12 12 PHE HA H 1 4.577 0.020 . 1 . . . . 10 PHE HA . 7276 1 131 . 1 1 12 12 PHE HB2 H 1 2.949 0.020 . 1 . . . . 10 PHE HB2 . 7276 1 132 . 1 1 12 12 PHE HB3 H 1 2.949 0.020 . 1 . . . . 10 PHE HB3 . 7276 1 133 . 1 1 12 12 PHE HD1 H 1 7.158 0.020 . 3 . . . . 10 PHE HD1 . 7276 1 134 . 1 1 12 12 PHE HD2 H 1 7.273 0.020 . 3 . . . . 10 PHE HD2 . 7276 1 135 . 1 1 12 12 PHE HE1 H 1 7.306 0.020 . 1 . . . . 10 PHE HE1 . 7276 1 136 . 1 1 12 12 PHE HE2 H 1 7.306 0.020 . 1 . . . . 10 PHE HE2 . 7276 1 137 . 1 1 12 12 PHE HZ H 1 7.231 0.020 . 5 . . . . 10 PHE HZ . 7276 1 138 . 1 1 12 12 PHE C C 13 175.825 0.400 . 1 . . . . 10 PHE C . 7276 1 139 . 1 1 12 12 PHE CA C 13 57.990 0.400 . 1 . . . . 10 PHE CA . 7276 1 140 . 1 1 12 12 PHE CB C 13 37.702 0.400 . 1 . . . . 10 PHE CB . 7276 1 141 . 1 1 12 12 PHE CD1 C 13 131.723 0.400 . 3 . . . . 10 PHE CD1 . 7276 1 142 . 1 1 12 12 PHE CD2 C 13 131.464 0.400 . 3 . . . . 10 PHE CD2 . 7276 1 143 . 1 1 12 12 PHE CE1 C 13 131.756 0.400 . 1 . . . . 10 PHE CE1 . 7276 1 144 . 1 1 12 12 PHE CE2 C 13 131.756 0.400 . 1 . . . . 10 PHE CE2 . 7276 1 145 . 1 1 12 12 PHE CZ C 13 129.825 0.400 . 5 . . . . 10 PHE CZ . 7276 1 146 . 1 1 12 12 PHE N N 15 120.379 0.400 . 1 . . . . 10 PHE N . 7276 1 147 . 1 1 13 13 ARG H H 1 8.226 0.020 . 1 . . . . 11 ARG H . 7276 1 148 . 1 1 13 13 ARG HA H 1 4.274 0.020 . 1 . . . . 11 ARG HA . 7276 1 149 . 1 1 13 13 ARG HB2 H 1 1.787 0.020 . 1 . . . . 11 ARG HB2 . 7276 1 150 . 1 1 13 13 ARG HB3 H 1 1.787 0.020 . 1 . . . . 11 ARG HB3 . 7276 1 151 . 1 1 13 13 ARG HG2 H 1 1.525 0.020 . 1 . . . . 11 ARG HG2 . 7276 1 152 . 1 1 13 13 ARG HG3 H 1 1.525 0.020 . 1 . . . . 11 ARG HG3 . 7276 1 153 . 1 1 13 13 ARG HD2 H 1 3.163 0.020 . 1 . . . . 11 ARG HD2 . 7276 1 154 . 1 1 13 13 ARG HD3 H 1 3.163 0.020 . 1 . . . . 11 ARG HD3 . 7276 1 155 . 1 1 13 13 ARG C C 13 176.134 0.400 . 1 . . . . 11 ARG C . 7276 1 156 . 1 1 13 13 ARG CA C 13 56.657 0.400 . 1 . . . . 11 ARG CA . 7276 1 157 . 1 1 13 13 ARG CB C 13 31.019 0.400 . 1 . . . . 11 ARG CB . 7276 1 158 . 1 1 13 13 ARG CG C 13 27.180 0.400 . 1 . . . . 11 ARG CG . 7276 1 159 . 1 1 13 13 ARG CD C 13 43.308 0.400 . 1 . . . . 11 ARG CD . 7276 1 160 . 1 1 13 13 ARG N N 15 122.277 0.400 . 1 . . . . 11 ARG N . 7276 1 161 . 1 1 14 14 ASN H H 1 8.569 0.020 . 1 . . . . 12 ASN H . 7276 1 162 . 1 1 14 14 ASN HA H 1 4.705 0.020 . 1 . . . . 12 ASN HA . 7276 1 163 . 1 1 14 14 ASN HB2 H 1 2.807 0.020 . 1 . . . . 12 ASN HB2 . 7276 1 164 . 1 1 14 14 ASN HB3 H 1 2.807 0.020 . 1 . . . . 12 ASN HB3 . 7276 1 165 . 1 1 14 14 ASN HD21 H 1 7.048 0.020 . 2 . . . . 12 ASN HD21 . 7276 1 166 . 1 1 14 14 ASN HD22 H 1 7.738 0.020 . 2 . . . . 12 ASN HD22 . 7276 1 167 . 1 1 14 14 ASN C C 13 175.705 0.400 . 1 . . . . 12 ASN C . 7276 1 168 . 1 1 14 14 ASN CA C 13 53.207 0.400 . 1 . . . . 12 ASN CA . 7276 1 169 . 1 1 14 14 ASN CB C 13 39.341 0.400 . 1 . . . . 12 ASN CB . 7276 1 170 . 1 1 14 14 ASN CG C 13 176.953 0.400 . 1 . . . . 12 ASN CG . 7276 1 171 . 1 1 14 14 ASN N N 15 119.285 0.400 . 1 . . . . 12 ASN N . 7276 1 172 . 1 1 14 14 ASN ND2 N 15 113.356 0.400 . 1 . . . . 12 ASN ND2 . 7276 1 173 . 1 1 15 15 GLU H H 1 8.578 0.020 . 1 . . . . 13 GLU H . 7276 1 174 . 1 1 15 15 GLU HA H 1 4.150 0.020 . 1 . . . . 13 GLU HA . 7276 1 175 . 1 1 15 15 GLU HB2 H 1 1.833 0.020 . 1 . . . . 13 GLU HB2 . 7276 1 176 . 1 1 15 15 GLU HB3 H 1 1.833 0.020 . 1 . . . . 13 GLU HB3 . 7276 1 177 . 1 1 15 15 GLU HG2 H 1 2.036 0.020 . 1 . . . . 13 GLU HG2 . 7276 1 178 . 1 1 15 15 GLU HG3 H 1 2.036 0.020 . 1 . . . . 13 GLU HG3 . 7276 1 179 . 1 1 15 15 GLU C C 13 176.634 0.400 . 1 . . . . 13 GLU C . 7276 1 180 . 1 1 15 15 GLU CA C 13 57.502 0.400 . 1 . . . . 13 GLU CA . 7276 1 181 . 1 1 15 15 GLU CB C 13 30.127 0.400 . 1 . . . . 13 GLU CB . 7276 1 182 . 1 1 15 15 GLU CG C 13 36.167 0.400 . 1 . . . . 13 GLU CG . 7276 1 183 . 1 1 15 15 GLU CD C 13 183.871 0.400 . 1 . . . . 13 GLU CD . 7276 1 184 . 1 1 15 15 GLU N N 15 121.729 0.400 . 1 . . . . 13 GLU N . 7276 1 185 . 1 1 16 16 PHE H H 1 8.152 0.020 . 1 . . . . 14 PHE H . 7276 1 186 . 1 1 16 16 PHE HA H 1 4.621 0.020 . 1 . . . . 14 PHE HA . 7276 1 187 . 1 1 16 16 PHE HB2 H 1 3.177 0.020 . 1 . . . . 14 PHE HB2 . 7276 1 188 . 1 1 16 16 PHE HB3 H 1 3.177 0.020 . 1 . . . . 14 PHE HB3 . 7276 1 189 . 1 1 16 16 PHE HD1 H 1 7.226 0.020 . 1 . . . . 14 PHE HD1 . 7276 1 190 . 1 1 16 16 PHE HD2 H 1 7.226 0.020 . 1 . . . . 14 PHE HD2 . 7276 1 191 . 1 1 16 16 PHE HE1 H 1 7.325 0.020 . 1 . . . . 14 PHE HE1 . 7276 1 192 . 1 1 16 16 PHE HE2 H 1 7.325 0.020 . 1 . . . . 14 PHE HE2 . 7276 1 193 . 1 1 16 16 PHE HZ H 1 7.302 0.020 . 5 . . . . 14 PHE HZ . 7276 1 194 . 1 1 16 16 PHE C C 13 175.861 0.400 . 1 . . . . 14 PHE C . 7276 1 195 . 1 1 16 16 PHE CA C 13 57.637 0.400 . 1 . . . . 14 PHE CA . 7276 1 196 . 1 1 16 16 PHE CB C 13 39.260 0.400 . 1 . . . . 14 PHE CB . 7276 1 197 . 1 1 16 16 PHE CD1 C 13 131.772 0.400 . 1 . . . . 14 PHE CD1 . 7276 1 198 . 1 1 16 16 PHE CD2 C 13 131.772 0.400 . 1 . . . . 14 PHE CD2 . 7276 1 199 . 1 1 16 16 PHE CE1 C 13 132.033 0.400 . 1 . . . . 14 PHE CE1 . 7276 1 200 . 1 1 16 16 PHE CE2 C 13 132.033 0.400 . 1 . . . . 14 PHE CE2 . 7276 1 201 . 1 1 16 16 PHE CZ C 13 129.840 0.400 . 5 . . . . 14 PHE CZ . 7276 1 202 . 1 1 16 16 PHE N N 15 118.483 0.400 . 1 . . . . 14 PHE N . 7276 1 203 . 1 1 17 17 ASP H H 1 8.058 0.020 . 1 . . . . 15 ASP H . 7276 1 204 . 1 1 17 17 ASP HA H 1 3.897 0.020 . 1 . . . . 15 ASP HA . 7276 1 205 . 1 1 17 17 ASP HB2 H 1 2.810 0.020 . 2 . . . . 15 ASP HB2 . 7276 1 206 . 1 1 17 17 ASP HB3 H 1 2.680 0.020 . 2 . . . . 15 ASP HB3 . 7276 1 207 . 1 1 17 17 ASP C C 13 178.777 0.400 . 1 . . . . 15 ASP C . 7276 1 208 . 1 1 17 17 ASP CA C 13 55.245 0.400 . 1 . . . . 15 ASP CA . 7276 1 209 . 1 1 17 17 ASP CB C 13 39.504 0.400 . 1 . . . . 15 ASP CB . 7276 1 210 . 1 1 17 17 ASP CG C 13 180.359 0.400 . 1 . . . . 15 ASP CG . 7276 1 211 . 1 1 17 17 ASP N N 15 120.113 0.400 . 1 . . . . 15 ASP N . 7276 1 212 . 1 1 18 18 HIS H H 1 8.685 0.020 . 1 . . . . 16 HIS H . 7276 1 213 . 1 1 18 18 HIS HA H 1 3.986 0.020 . 1 . . . . 16 HIS HA . 7276 1 214 . 1 1 18 18 HIS HB2 H 1 3.232 0.020 . 2 . . . . 16 HIS HB2 . 7276 1 215 . 1 1 18 18 HIS HB3 H 1 3.151 0.020 . 2 . . . . 16 HIS HB3 . 7276 1 216 . 1 1 18 18 HIS HD2 H 1 7.046 0.020 . 1 . . . . 16 HIS HD2 . 7276 1 217 . 1 1 18 18 HIS HE1 H 1 7.919 0.020 . 1 . . . . 16 HIS HE1 . 7276 1 218 . 1 1 18 18 HIS C C 13 175.768 0.400 . 1 . . . . 16 HIS C . 7276 1 219 . 1 1 18 18 HIS CA C 13 56.592 0.400 . 1 . . . . 16 HIS CA . 7276 1 220 . 1 1 18 18 HIS CB C 13 31.000 0.400 . 1 . . . . 16 HIS CB . 7276 1 221 . 1 1 18 18 HIS CD2 C 13 120.318 0.400 . 1 . . . . 16 HIS CD2 . 7276 1 222 . 1 1 18 18 HIS CE1 C 13 138.109 0.400 . 1 . . . . 16 HIS CE1 . 7276 1 223 . 1 1 18 18 HIS N N 15 116.158 0.400 . 1 . . . . 16 HIS N . 7276 1 224 . 1 1 18 18 HIS ND1 N 15 204.739 0.400 . 1 . . . . 16 HIS ND1 . 7276 1 225 . 1 1 18 18 HIS NE2 N 15 178.782 0.400 . 1 . . . . 16 HIS NE2 . 7276 1 226 . 1 1 19 19 LEU H H 1 8.051 0.020 . 1 . . . . 17 LEU H . 7276 1 227 . 1 1 19 19 LEU HA H 1 4.303 0.020 . 1 . . . . 17 LEU HA . 7276 1 228 . 1 1 19 19 LEU HB2 H 1 1.826 0.020 . 1 . . . . 17 LEU HB2 . 7276 1 229 . 1 1 19 19 LEU HB3 H 1 1.826 0.020 . 1 . . . . 17 LEU HB3 . 7276 1 230 . 1 1 19 19 LEU HG H 1 1.699 0.020 . 1 . . . . 17 LEU HG . 7276 1 231 . 1 1 19 19 LEU HD11 H 1 0.938 0.020 . 2 . . . . 17 LEU HD1 . 7276 1 232 . 1 1 19 19 LEU HD12 H 1 0.938 0.020 . 2 . . . . 17 LEU HD1 . 7276 1 233 . 1 1 19 19 LEU HD13 H 1 0.938 0.020 . 2 . . . . 17 LEU HD1 . 7276 1 234 . 1 1 19 19 LEU HD21 H 1 0.938 0.020 . 2 . . . . 17 LEU HD2 . 7276 1 235 . 1 1 19 19 LEU HD22 H 1 0.938 0.020 . 2 . . . . 17 LEU HD2 . 7276 1 236 . 1 1 19 19 LEU HD23 H 1 0.938 0.020 . 2 . . . . 17 LEU HD2 . 7276 1 237 . 1 1 19 19 LEU C C 13 175.739 0.400 . 1 . . . . 17 LEU C . 7276 1 238 . 1 1 19 19 LEU CA C 13 56.465 0.400 . 1 . . . . 17 LEU CA . 7276 1 239 . 1 1 19 19 LEU CB C 13 42.000 0.400 . 1 . . . . 17 LEU CB . 7276 1 240 . 1 1 19 19 LEU CG C 13 27.533 0.400 . 1 . . . . 17 LEU CG . 7276 1 241 . 1 1 19 19 LEU CD1 C 13 24.273 0.400 . 1 . . . . 17 LEU CD1 . 7276 1 242 . 1 1 19 19 LEU CD2 C 13 24.305 0.400 . 1 . . . . 17 LEU CD2 . 7276 1 243 . 1 1 19 19 LEU N N 15 121.592 0.400 . 1 . . . . 17 LEU N . 7276 1 244 . 1 1 20 20 LEU H H 1 8.180 0.020 . 1 . . . . 18 LEU H . 7276 1 245 . 1 1 20 20 LEU HA H 1 4.164 0.020 . 1 . . . . 18 LEU HA . 7276 1 246 . 1 1 20 20 LEU HB2 H 1 1.706 0.020 . 1 . . . . 18 LEU HB2 . 7276 1 247 . 1 1 20 20 LEU HB3 H 1 1.706 0.020 . 1 . . . . 18 LEU HB3 . 7276 1 248 . 1 1 20 20 LEU HG H 1 1.592 0.020 . 1 . . . . 18 LEU HG . 7276 1 249 . 1 1 20 20 LEU HD11 H 1 0.942 0.020 . 2 . . . . 18 LEU HD1 . 7276 1 250 . 1 1 20 20 LEU HD12 H 1 0.942 0.020 . 2 . . . . 18 LEU HD1 . 7276 1 251 . 1 1 20 20 LEU HD13 H 1 0.942 0.020 . 2 . . . . 18 LEU HD1 . 7276 1 252 . 1 1 20 20 LEU HD21 H 1 0.942 0.020 . 2 . . . . 18 LEU HD2 . 7276 1 253 . 1 1 20 20 LEU HD22 H 1 0.942 0.020 . 2 . . . . 18 LEU HD2 . 7276 1 254 . 1 1 20 20 LEU HD23 H 1 0.942 0.020 . 2 . . . . 18 LEU HD2 . 7276 1 255 . 1 1 20 20 LEU C C 13 175.904 0.400 . 1 . . . . 18 LEU C . 7276 1 256 . 1 1 20 20 LEU CA C 13 57.273 0.400 . 1 . . . . 18 LEU CA . 7276 1 257 . 1 1 20 20 LEU CB C 13 41.833 0.400 . 1 . . . . 18 LEU CB . 7276 1 258 . 1 1 20 20 LEU CG C 13 27.607 0.400 . 1 . . . . 18 LEU CG . 7276 1 259 . 1 1 20 20 LEU CD1 C 13 24.584 0.400 . 1 . . . . 18 LEU CD1 . 7276 1 260 . 1 1 20 20 LEU CD2 C 13 24.584 0.400 . 1 . . . . 18 LEU CD2 . 7276 1 261 . 1 1 20 20 LEU N N 15 122.186 0.400 . 1 . . . . 18 LEU N . 7276 1 262 . 1 1 21 21 ILE H H 1 8.379 0.020 . 1 . . . . 19 ILE H . 7276 1 263 . 1 1 21 21 ILE HA H 1 3.936 0.020 . 1 . . . . 19 ILE HA . 7276 1 264 . 1 1 21 21 ILE HB H 1 1.858 0.020 . 1 . . . . 19 ILE HB . 7276 1 265 . 1 1 21 21 ILE HG12 H 1 1.312 0.020 . 2 . . . . 19 ILE HG12 . 7276 1 266 . 1 1 21 21 ILE HG13 H 1 1.178 0.020 . 2 . . . . 19 ILE HG13 . 7276 1 267 . 1 1 21 21 ILE HG21 H 1 0.936 0.020 . 1 . . . . 19 ILE HG2 . 7276 1 268 . 1 1 21 21 ILE HG22 H 1 0.936 0.020 . 1 . . . . 19 ILE HG2 . 7276 1 269 . 1 1 21 21 ILE HG23 H 1 0.936 0.020 . 1 . . . . 19 ILE HG2 . 7276 1 270 . 1 1 21 21 ILE HD11 H 1 0.562 0.020 . 1 . . . . 19 ILE HD1 . 7276 1 271 . 1 1 21 21 ILE HD12 H 1 0.562 0.020 . 1 . . . . 19 ILE HD1 . 7276 1 272 . 1 1 21 21 ILE HD13 H 1 0.562 0.020 . 1 . . . . 19 ILE HD1 . 7276 1 273 . 1 1 21 21 ILE C C 13 175.831 0.400 . 1 . . . . 19 ILE C . 7276 1 274 . 1 1 21 21 ILE CA C 13 62.275 0.400 . 1 . . . . 19 ILE CA . 7276 1 275 . 1 1 21 21 ILE CB C 13 37.400 0.400 . 1 . . . . 19 ILE CB . 7276 1 276 . 1 1 21 21 ILE CG1 C 13 29.223 0.400 . 1 . . . . 19 ILE CG1 . 7276 1 277 . 1 1 21 21 ILE CG2 C 13 18.521 0.400 . 1 . . . . 19 ILE CG2 . 7276 1 278 . 1 1 21 21 ILE CD1 C 13 13.048 0.400 . 1 . . . . 19 ILE CD1 . 7276 1 279 . 1 1 21 21 ILE N N 15 119.895 0.400 . 1 . . . . 19 ILE N . 7276 1 280 . 1 1 22 22 GLU H H 1 8.168 0.020 . 1 . . . . 20 GLU H . 7276 1 281 . 1 1 22 22 GLU HA H 1 4.084 0.020 . 1 . . . . 20 GLU HA . 7276 1 282 . 1 1 22 22 GLU HB2 H 1 2.077 0.020 . 1 . . . . 20 GLU HB2 . 7276 1 283 . 1 1 22 22 GLU HB3 H 1 2.077 0.020 . 1 . . . . 20 GLU HB3 . 7276 1 284 . 1 1 22 22 GLU HG2 H 1 2.291 0.020 . 1 . . . . 20 GLU HG2 . 7276 1 285 . 1 1 22 22 GLU HG3 H 1 2.291 0.020 . 1 . . . . 20 GLU HG3 . 7276 1 286 . 1 1 22 22 GLU C C 13 179.290 0.400 . 1 . . . . 20 GLU C . 7276 1 287 . 1 1 22 22 GLU CA C 13 59.632 0.400 . 1 . . . . 20 GLU CA . 7276 1 288 . 1 1 22 22 GLU CB C 13 29.175 0.400 . 1 . . . . 20 GLU CB . 7276 1 289 . 1 1 22 22 GLU CG C 13 36.852 0.400 . 1 . . . . 20 GLU CG . 7276 1 290 . 1 1 22 22 GLU CD C 13 183.698 0.400 . 1 . . . . 20 GLU CD . 7276 1 291 . 1 1 22 22 GLU N N 15 121.390 0.400 . 1 . . . . 20 GLU N . 7276 1 292 . 1 1 23 23 GLN H H 1 8.073 0.020 . 1 . . . . 21 GLN H . 7276 1 293 . 1 1 23 23 GLN HA H 1 4.206 0.020 . 1 . . . . 21 GLN HA . 7276 1 294 . 1 1 23 23 GLN HB2 H 1 2.244 0.020 . 1 . . . . 21 GLN HB2 . 7276 1 295 . 1 1 23 23 GLN HB3 H 1 2.244 0.020 . 1 . . . . 21 GLN HB3 . 7276 1 296 . 1 1 23 23 GLN HG2 H 1 2.443 0.020 . 1 . . . . 21 GLN HG2 . 7276 1 297 . 1 1 23 23 GLN HG3 H 1 2.443 0.020 . 1 . . . . 21 GLN HG3 . 7276 1 298 . 1 1 23 23 GLN HE21 H 1 7.512 0.020 . 2 . . . . 21 GLN HE21 . 7276 1 299 . 1 1 23 23 GLN HE22 H 1 6.807 0.020 . 2 . . . . 21 GLN HE22 . 7276 1 300 . 1 1 23 23 GLN C C 13 179.300 0.400 . 1 . . . . 21 GLN C . 7276 1 301 . 1 1 23 23 GLN CA C 13 58.239 0.400 . 1 . . . . 21 GLN CA . 7276 1 302 . 1 1 23 23 GLN CB C 13 28.942 0.400 . 1 . . . . 21 GLN CB . 7276 1 303 . 1 1 23 23 GLN CG C 13 33.772 0.400 . 1 . . . . 21 GLN CG . 7276 1 304 . 1 1 23 23 GLN CD C 13 179.779 0.400 . 1 . . . . 21 GLN CD . 7276 1 305 . 1 1 23 23 GLN N N 15 118.374 0.400 . 1 . . . . 21 GLN N . 7276 1 306 . 1 1 23 23 GLN NE2 N 15 111.038 0.400 . 1 . . . . 21 GLN NE2 . 7276 1 307 . 1 1 24 24 ALA H H 1 8.468 0.020 . 1 . . . . 22 ALA H . 7276 1 308 . 1 1 24 24 ALA HA H 1 4.102 0.020 . 1 . . . . 22 ALA HA . 7276 1 309 . 1 1 24 24 ALA HB1 H 1 1.488 0.020 . 1 . . . . 22 ALA HB . 7276 1 310 . 1 1 24 24 ALA HB2 H 1 1.488 0.020 . 1 . . . . 22 ALA HB . 7276 1 311 . 1 1 24 24 ALA HB3 H 1 1.488 0.020 . 1 . . . . 22 ALA HB . 7276 1 312 . 1 1 24 24 ALA C C 13 178.697 0.400 . 1 . . . . 22 ALA C . 7276 1 313 . 1 1 24 24 ALA CA C 13 55.686 0.400 . 1 . . . . 22 ALA CA . 7276 1 314 . 1 1 24 24 ALA CB C 13 17.606 0.400 . 1 . . . . 22 ALA CB . 7276 1 315 . 1 1 24 24 ALA N N 15 123.454 0.400 . 1 . . . . 22 ALA N . 7276 1 316 . 1 1 25 25 ASN H H 1 8.625 0.020 . 1 . . . . 23 ASN H . 7276 1 317 . 1 1 25 25 ASN HA H 1 4.709 0.020 . 1 . . . . 23 ASN HA . 7276 1 318 . 1 1 25 25 ASN HB2 H 1 2.985 0.020 . 1 . . . . 23 ASN HB2 . 7276 1 319 . 1 1 25 25 ASN HB3 H 1 2.985 0.020 . 1 . . . . 23 ASN HB3 . 7276 1 320 . 1 1 25 25 ASN HD21 H 1 7.411 0.020 . 2 . . . . 23 ASN HD21 . 7276 1 321 . 1 1 25 25 ASN HD22 H 1 6.672 0.020 . 2 . . . . 23 ASN HD22 . 7276 1 322 . 1 1 25 25 ASN C C 13 178.698 0.400 . 1 . . . . 23 ASN C . 7276 1 323 . 1 1 25 25 ASN CA C 13 57.145 0.400 . 1 . . . . 23 ASN CA . 7276 1 324 . 1 1 25 25 ASN CB C 13 39.028 0.400 . 1 . . . . 23 ASN CB . 7276 1 325 . 1 1 25 25 ASN CG C 13 175.356 0.400 . 1 . . . . 23 ASN CG . 7276 1 326 . 1 1 25 25 ASN N N 15 116.061 0.400 . 1 . . . . 23 ASN N . 7276 1 327 . 1 1 25 25 ASN ND2 N 15 109.451 0.400 . 1 . . . . 23 ASN ND2 . 7276 1 328 . 1 1 26 26 HIS H H 1 8.315 0.020 . 1 . . . . 24 HIS H . 7276 1 329 . 1 1 26 26 HIS HA H 1 4.526 0.020 . 1 . . . . 24 HIS HA . 7276 1 330 . 1 1 26 26 HIS HB2 H 1 3.267 0.020 . 1 . . . . 24 HIS HB2 . 7276 1 331 . 1 1 26 26 HIS HB3 H 1 3.267 0.020 . 1 . . . . 24 HIS HB3 . 7276 1 332 . 1 1 26 26 HIS HD2 H 1 7.078 0.020 . 1 . . . . 24 HIS HD2 . 7276 1 333 . 1 1 26 26 HIS HE1 H 1 7.892 0.020 . 1 . . . . 24 HIS HE1 . 7276 1 334 . 1 1 26 26 HIS C C 13 177.178 0.400 . 1 . . . . 24 HIS C . 7276 1 335 . 1 1 26 26 HIS CA C 13 58.844 0.400 . 1 . . . . 24 HIS CA . 7276 1 336 . 1 1 26 26 HIS CB C 13 30.016 0.400 . 1 . . . . 24 HIS CB . 7276 1 337 . 1 1 26 26 HIS CD2 C 13 121.375 0.400 . 1 . . . . 24 HIS CD2 . 7276 1 338 . 1 1 26 26 HIS CE1 C 13 138.077 0.400 . 1 . . . . 24 HIS CE1 . 7276 1 339 . 1 1 26 26 HIS N N 15 120.145 0.400 . 1 . . . . 24 HIS N . 7276 1 340 . 1 1 26 26 HIS ND1 N 15 202.180 0.400 . 1 . . . . 24 HIS ND1 . 7276 1 341 . 1 1 26 26 HIS NE2 N 15 186.448 0.400 . 1 . . . . 24 HIS NE2 . 7276 1 342 . 1 1 27 27 ALA H H 1 8.012 0.020 . 1 . . . . 25 ALA H . 7276 1 343 . 1 1 27 27 ALA HA H 1 4.104 0.020 . 1 . . . . 25 ALA HA . 7276 1 344 . 1 1 27 27 ALA HB1 H 1 1.507 0.020 . 1 . . . . 25 ALA HB . 7276 1 345 . 1 1 27 27 ALA HB2 H 1 1.507 0.020 . 1 . . . . 25 ALA HB . 7276 1 346 . 1 1 27 27 ALA HB3 H 1 1.507 0.020 . 1 . . . . 25 ALA HB . 7276 1 347 . 1 1 27 27 ALA C C 13 179.469 0.400 . 1 . . . . 25 ALA C . 7276 1 348 . 1 1 27 27 ALA CA C 13 55.394 0.400 . 1 . . . . 25 ALA CA . 7276 1 349 . 1 1 27 27 ALA CB C 13 18.078 0.400 . 1 . . . . 25 ALA CB . 7276 1 350 . 1 1 27 27 ALA N N 15 122.048 0.400 . 1 . . . . 25 ALA N . 7276 1 351 . 1 1 28 28 ILE H H 1 8.112 0.020 . 1 . . . . 26 ILE H . 7276 1 352 . 1 1 28 28 ILE HA H 1 3.486 0.020 . 1 . . . . 26 ILE HA . 7276 1 353 . 1 1 28 28 ILE HB H 1 1.938 0.020 . 1 . . . . 26 ILE HB . 7276 1 354 . 1 1 28 28 ILE HG12 H 1 1.807 0.020 . 1 . . . . 26 ILE HG12 . 7276 1 355 . 1 1 28 28 ILE HG13 H 1 1.807 0.020 . 1 . . . . 26 ILE HG13 . 7276 1 356 . 1 1 28 28 ILE HG21 H 1 0.904 0.020 . 1 . . . . 26 ILE HG2 . 7276 1 357 . 1 1 28 28 ILE HG22 H 1 0.904 0.020 . 1 . . . . 26 ILE HG2 . 7276 1 358 . 1 1 28 28 ILE HG23 H 1 0.904 0.020 . 1 . . . . 26 ILE HG2 . 7276 1 359 . 1 1 28 28 ILE HD11 H 1 0.882 0.020 . 1 . . . . 26 ILE HD1 . 7276 1 360 . 1 1 28 28 ILE HD12 H 1 0.882 0.020 . 1 . . . . 26 ILE HD1 . 7276 1 361 . 1 1 28 28 ILE HD13 H 1 0.882 0.020 . 1 . . . . 26 ILE HD1 . 7276 1 362 . 1 1 28 28 ILE C C 13 177.265 0.400 . 1 . . . . 26 ILE C . 7276 1 363 . 1 1 28 28 ILE CA C 13 65.272 0.400 . 1 . . . . 26 ILE CA . 7276 1 364 . 1 1 28 28 ILE CB C 13 38.643 0.400 . 1 . . . . 26 ILE CB . 7276 1 365 . 1 1 28 28 ILE CG1 C 13 29.742 0.400 . 1 . . . . 26 ILE CG1 . 7276 1 366 . 1 1 28 28 ILE CG2 C 13 17.617 0.400 . 1 . . . . 26 ILE CG2 . 7276 1 367 . 1 1 28 28 ILE CD1 C 13 13.738 0.400 . 1 . . . . 26 ILE CD1 . 7276 1 368 . 1 1 28 28 ILE N N 15 118.394 0.400 . 1 . . . . 26 ILE N . 7276 1 369 . 1 1 29 29 GLU H H 1 8.037 0.020 . 1 . . . . 27 GLU H . 7276 1 370 . 1 1 29 29 GLU HA H 1 4.101 0.020 . 1 . . . . 27 GLU HA . 7276 1 371 . 1 1 29 29 GLU HB2 H 1 2.138 0.020 . 1 . . . . 27 GLU HB2 . 7276 1 372 . 1 1 29 29 GLU HB3 H 1 2.138 0.020 . 1 . . . . 27 GLU HB3 . 7276 1 373 . 1 1 29 29 GLU HG2 H 1 2.545 0.020 . 1 . . . . 27 GLU HG2 . 7276 1 374 . 1 1 29 29 GLU HG3 H 1 2.545 0.020 . 1 . . . . 27 GLU HG3 . 7276 1 375 . 1 1 29 29 GLU C C 13 179.633 0.400 . 1 . . . . 27 GLU C . 7276 1 376 . 1 1 29 29 GLU CA C 13 59.660 0.400 . 1 . . . . 27 GLU CA . 7276 1 377 . 1 1 29 29 GLU CB C 13 29.861 0.400 . 1 . . . . 27 GLU CB . 7276 1 378 . 1 1 29 29 GLU CG C 13 36.575 0.400 . 1 . . . . 27 GLU CG . 7276 1 379 . 1 1 29 29 GLU CD C 13 182.830 0.400 . 1 . . . . 27 GLU CD . 7276 1 380 . 1 1 29 29 GLU N N 15 120.388 0.400 . 1 . . . . 27 GLU N . 7276 1 381 . 1 1 30 30 LYS H H 1 8.304 0.020 . 1 . . . . 28 LYS H . 7276 1 382 . 1 1 30 30 LYS HA H 1 4.102 0.020 . 1 . . . . 28 LYS HA . 7276 1 383 . 1 1 30 30 LYS HB2 H 1 1.836 0.020 . 1 . . . . 28 LYS HB2 . 7276 1 384 . 1 1 30 30 LYS HB3 H 1 1.836 0.020 . 1 . . . . 28 LYS HB3 . 7276 1 385 . 1 1 30 30 LYS HG2 H 1 1.362 0.020 . 1 . . . . 28 LYS HG2 . 7276 1 386 . 1 1 30 30 LYS HG3 H 1 1.362 0.020 . 1 . . . . 28 LYS HG3 . 7276 1 387 . 1 1 30 30 LYS HD2 H 1 1.678 0.020 . 1 . . . . 28 LYS HD2 . 7276 1 388 . 1 1 30 30 LYS HD3 H 1 1.678 0.020 . 1 . . . . 28 LYS HD3 . 7276 1 389 . 1 1 30 30 LYS HE2 H 1 2.993 0.020 . 1 . . . . 28 LYS HE2 . 7276 1 390 . 1 1 30 30 LYS HE3 H 1 2.993 0.020 . 1 . . . . 28 LYS HE3 . 7276 1 391 . 1 1 30 30 LYS C C 13 179.905 0.400 . 1 . . . . 28 LYS C . 7276 1 392 . 1 1 30 30 LYS CA C 13 59.113 0.400 . 1 . . . . 28 LYS CA . 7276 1 393 . 1 1 30 30 LYS CB C 13 32.062 0.400 . 1 . . . . 28 LYS CB . 7276 1 394 . 1 1 30 30 LYS CG C 13 24.893 0.400 . 1 . . . . 28 LYS CG . 7276 1 395 . 1 1 30 30 LYS CD C 13 28.681 0.400 . 1 . . . . 28 LYS CD . 7276 1 396 . 1 1 30 30 LYS CE C 13 43.376 0.400 . 1 . . . . 28 LYS CE . 7276 1 397 . 1 1 30 30 LYS N N 15 119.090 0.400 . 1 . . . . 28 LYS N . 7276 1 398 . 1 1 31 31 GLY H H 1 8.771 0.020 . 1 . . . . 29 GLY H . 7276 1 399 . 1 1 31 31 GLY HA2 H 1 3.763 0.020 . 2 . . . . 29 GLY HA2 . 7276 1 400 . 1 1 31 31 GLY HA3 H 1 3.601 0.020 . 2 . . . . 29 GLY HA3 . 7276 1 401 . 1 1 31 31 GLY C C 13 174.614 0.400 . 1 . . . . 29 GLY C . 7276 1 402 . 1 1 31 31 GLY CA C 13 47.832 0.400 . 1 . . . . 29 GLY CA . 7276 1 403 . 1 1 31 31 GLY N N 15 108.794 0.400 . 1 . . . . 29 GLY N . 7276 1 404 . 1 1 32 32 GLU H H 1 8.772 0.020 . 1 . . . . 30 GLU H . 7276 1 405 . 1 1 32 32 GLU HA H 1 3.983 0.020 . 1 . . . . 30 GLU HA . 7276 1 406 . 1 1 32 32 GLU HB2 H 1 2.066 0.020 . 1 . . . . 30 GLU HB2 . 7276 1 407 . 1 1 32 32 GLU HB3 H 1 2.066 0.020 . 1 . . . . 30 GLU HB3 . 7276 1 408 . 1 1 32 32 GLU HG2 H 1 2.527 0.020 . 1 . . . . 30 GLU HG2 . 7276 1 409 . 1 1 32 32 GLU HG3 H 1 2.527 0.020 . 1 . . . . 30 GLU HG3 . 7276 1 410 . 1 1 32 32 GLU C C 13 179.601 0.400 . 1 . . . . 30 GLU C . 7276 1 411 . 1 1 32 32 GLU CA C 13 60.140 0.400 . 1 . . . . 30 GLU CA . 7276 1 412 . 1 1 32 32 GLU CB C 13 29.734 0.400 . 1 . . . . 30 GLU CB . 7276 1 413 . 1 1 32 32 GLU CG C 13 37.037 0.400 . 1 . . . . 30 GLU CG . 7276 1 414 . 1 1 32 32 GLU CD C 13 182.830 0.400 . 1 . . . . 30 GLU CD . 7276 1 415 . 1 1 32 32 GLU N N 15 122.425 0.400 . 1 . . . . 30 GLU N . 7276 1 416 . 1 1 33 33 HIS H H 1 7.932 0.020 . 1 . . . . 31 HIS H . 7276 1 417 . 1 1 33 33 HIS HA H 1 4.395 0.020 . 1 . . . . 31 HIS HA . 7276 1 418 . 1 1 33 33 HIS HB2 H 1 3.320 0.020 . 1 . . . . 31 HIS HB2 . 7276 1 419 . 1 1 33 33 HIS HB3 H 1 3.320 0.020 . 1 . . . . 31 HIS HB3 . 7276 1 420 . 1 1 33 33 HIS HD2 H 1 7.090 0.020 . 1 . . . . 31 HIS HD2 . 7276 1 421 . 1 1 33 33 HIS HE1 H 1 7.843 0.020 . 1 . . . . 31 HIS HE1 . 7276 1 422 . 1 1 33 33 HIS C C 13 178.967 0.400 . 1 . . . . 31 HIS C . 7276 1 423 . 1 1 33 33 HIS CA C 13 59.652 0.400 . 1 . . . . 31 HIS CA . 7276 1 424 . 1 1 33 33 HIS CB C 13 30.218 0.400 . 1 . . . . 31 HIS CB . 7276 1 425 . 1 1 33 33 HIS CD2 C 13 120.066 0.400 . 1 . . . . 31 HIS CD2 . 7276 1 426 . 1 1 33 33 HIS CE1 C 13 138.320 0.400 . 1 . . . . 31 HIS CE1 . 7276 1 427 . 1 1 33 33 HIS N N 15 118.504 0.400 . 1 . . . . 31 HIS N . 7276 1 428 . 1 1 33 33 HIS ND1 N 15 212.259 0.400 . 1 . . . . 31 HIS ND1 . 7276 1 429 . 1 1 33 33 HIS NE2 N 15 178.642 0.400 . 1 . . . . 31 HIS NE2 . 7276 1 430 . 1 1 34 34 GLN H H 1 8.702 0.020 . 1 . . . . 32 GLN H . 7276 1 431 . 1 1 34 34 GLN HA H 1 4.347 0.020 . 1 . . . . 32 GLN HA . 7276 1 432 . 1 1 34 34 GLN HB2 H 1 2.349 0.020 . 2 . . . . 32 GLN HB2 . 7276 1 433 . 1 1 34 34 GLN HB3 H 1 2.133 0.020 . 2 . . . . 32 GLN HB3 . 7276 1 434 . 1 1 34 34 GLN HG2 H 1 2.510 0.020 . 1 . . . . 32 GLN HG2 . 7276 1 435 . 1 1 34 34 GLN HG3 H 1 2.510 0.020 . 1 . . . . 32 GLN HG3 . 7276 1 436 . 1 1 34 34 GLN HE21 H 1 7.754 0.020 . 2 . . . . 32 GLN HE21 . 7276 1 437 . 1 1 34 34 GLN HE22 H 1 6.896 0.020 . 2 . . . . 32 GLN HE22 . 7276 1 438 . 1 1 34 34 GLN C C 13 178.353 0.400 . 1 . . . . 32 GLN C . 7276 1 439 . 1 1 34 34 GLN CA C 13 58.632 0.400 . 1 . . . . 32 GLN CA . 7276 1 440 . 1 1 34 34 GLN CB C 13 29.115 0.400 . 1 . . . . 32 GLN CB . 7276 1 441 . 1 1 34 34 GLN CG C 13 34.125 0.400 . 1 . . . . 32 GLN CG . 7276 1 442 . 1 1 34 34 GLN CD C 13 178.656 0.400 . 1 . . . . 32 GLN CD . 7276 1 443 . 1 1 34 34 GLN N N 15 119.498 0.400 . 1 . . . . 32 GLN N . 7276 1 444 . 1 1 34 34 GLN NE2 N 15 110.129 0.400 . 1 . . . . 32 GLN NE2 . 7276 1 445 . 1 1 35 35 LEU H H 1 8.758 0.020 . 1 . . . . 33 LEU H . 7276 1 446 . 1 1 35 35 LEU HA H 1 4.079 0.020 . 1 . . . . 33 LEU HA . 7276 1 447 . 1 1 35 35 LEU HB2 H 1 2.060 0.020 . 1 . . . . 33 LEU HB2 . 7276 1 448 . 1 1 35 35 LEU HB3 H 1 2.060 0.020 . 1 . . . . 33 LEU HB3 . 7276 1 449 . 1 1 35 35 LEU HG H 1 1.549 0.020 . 1 . . . . 33 LEU HG . 7276 1 450 . 1 1 35 35 LEU HD11 H 1 0.961 0.020 . 2 . . . . 33 LEU HD1 . 7276 1 451 . 1 1 35 35 LEU HD12 H 1 0.961 0.020 . 2 . . . . 33 LEU HD1 . 7276 1 452 . 1 1 35 35 LEU HD13 H 1 0.961 0.020 . 2 . . . . 33 LEU HD1 . 7276 1 453 . 1 1 35 35 LEU HD21 H 1 0.901 0.020 . 2 . . . . 33 LEU HD2 . 7276 1 454 . 1 1 35 35 LEU HD22 H 1 0.901 0.020 . 2 . . . . 33 LEU HD2 . 7276 1 455 . 1 1 35 35 LEU HD23 H 1 0.901 0.020 . 2 . . . . 33 LEU HD2 . 7276 1 456 . 1 1 35 35 LEU C C 13 178.059 0.400 . 1 . . . . 33 LEU C . 7276 1 457 . 1 1 35 35 LEU CA C 13 58.649 0.400 . 1 . . . . 33 LEU CA . 7276 1 458 . 1 1 35 35 LEU CB C 13 41.294 0.400 . 1 . . . . 33 LEU CB . 7276 1 459 . 1 1 35 35 LEU CG C 13 26.590 0.400 . 1 . . . . 33 LEU CG . 7276 1 460 . 1 1 35 35 LEU CD1 C 13 26.309 0.400 . 1 . . . . 33 LEU CD1 . 7276 1 461 . 1 1 35 35 LEU CD2 C 13 23.586 0.400 . 1 . . . . 33 LEU CD2 . 7276 1 462 . 1 1 35 35 LEU N N 15 120.664 0.400 . 1 . . . . 33 LEU N . 7276 1 463 . 1 1 36 36 LEU H H 1 7.453 0.020 . 1 . . . . 34 LEU H . 7276 1 464 . 1 1 36 36 LEU HA H 1 4.153 0.020 . 1 . . . . 34 LEU HA . 7276 1 465 . 1 1 36 36 LEU HB2 H 1 1.819 0.020 . 1 . . . . 34 LEU HB2 . 7276 1 466 . 1 1 36 36 LEU HB3 H 1 1.819 0.020 . 1 . . . . 34 LEU HB3 . 7276 1 467 . 1 1 36 36 LEU HG H 1 1.697 0.020 . 1 . . . . 34 LEU HG . 7276 1 468 . 1 1 36 36 LEU HD11 H 1 0.956 0.020 . 2 . . . . 34 LEU HD1 . 7276 1 469 . 1 1 36 36 LEU HD12 H 1 0.956 0.020 . 2 . . . . 34 LEU HD1 . 7276 1 470 . 1 1 36 36 LEU HD13 H 1 0.956 0.020 . 2 . . . . 34 LEU HD1 . 7276 1 471 . 1 1 36 36 LEU HD21 H 1 0.956 0.020 . 2 . . . . 34 LEU HD2 . 7276 1 472 . 1 1 36 36 LEU HD22 H 1 0.956 0.020 . 2 . . . . 34 LEU HD2 . 7276 1 473 . 1 1 36 36 LEU HD23 H 1 0.956 0.020 . 2 . . . . 34 LEU HD2 . 7276 1 474 . 1 1 36 36 LEU C C 13 179.801 0.400 . 1 . . . . 34 LEU C . 7276 1 475 . 1 1 36 36 LEU CA C 13 58.159 0.400 . 1 . . . . 34 LEU CA . 7276 1 476 . 1 1 36 36 LEU CB C 13 41.483 0.400 . 1 . . . . 34 LEU CB . 7276 1 477 . 1 1 36 36 LEU CG C 13 26.943 0.400 . 1 . . . . 34 LEU CG . 7276 1 478 . 1 1 36 36 LEU CD1 C 13 24.499 0.400 . 1 . . . . 34 LEU CD1 . 7276 1 479 . 1 1 36 36 LEU CD2 C 13 24.499 0.400 . 1 . . . . 34 LEU CD2 . 7276 1 480 . 1 1 36 36 LEU N N 15 118.345 0.400 . 1 . . . . 34 LEU N . 7276 1 481 . 1 1 37 37 TYR H H 1 7.675 0.020 . 1 . . . . 35 TYR H . 7276 1 482 . 1 1 37 37 TYR HA H 1 4.419 0.020 . 1 . . . . 35 TYR HA . 7276 1 483 . 1 1 37 37 TYR HB2 H 1 3.184 0.020 . 1 . . . . 35 TYR HB2 . 7276 1 484 . 1 1 37 37 TYR HB3 H 1 3.184 0.020 . 1 . . . . 35 TYR HB3 . 7276 1 485 . 1 1 37 37 TYR HD1 H 1 7.158 0.020 . 1 . . . . 35 TYR HD1 . 7276 1 486 . 1 1 37 37 TYR HD2 H 1 7.158 0.020 . 1 . . . . 35 TYR HD2 . 7276 1 487 . 1 1 37 37 TYR HE1 H 1 6.823 0.020 . 1 . . . . 35 TYR HE1 . 7276 1 488 . 1 1 37 37 TYR HE2 H 1 6.823 0.020 . 1 . . . . 35 TYR HE2 . 7276 1 489 . 1 1 37 37 TYR C C 13 178.399 0.400 . 1 . . . . 35 TYR C . 7276 1 490 . 1 1 37 37 TYR CA C 13 60.659 0.400 . 1 . . . . 35 TYR CA . 7276 1 491 . 1 1 37 37 TYR CB C 13 38.098 0.400 . 1 . . . . 35 TYR CB . 7276 1 492 . 1 1 37 37 TYR CD1 C 13 133.416 0.400 . 1 . . . . 35 TYR CD1 . 7276 1 493 . 1 1 37 37 TYR CD2 C 13 133.416 0.400 . 1 . . . . 35 TYR CD2 . 7276 1 494 . 1 1 37 37 TYR CE1 C 13 118.277 0.400 . 1 . . . . 35 TYR CE1 . 7276 1 495 . 1 1 37 37 TYR CE2 C 13 118.277 0.400 . 1 . . . . 35 TYR CE2 . 7276 1 496 . 1 1 37 37 TYR N N 15 120.285 0.400 . 1 . . . . 35 TYR N . 7276 1 497 . 1 1 38 38 LEU H H 1 8.881 0.020 . 1 . . . . 36 LEU H . 7276 1 498 . 1 1 38 38 LEU HA H 1 3.871 0.020 . 1 . . . . 36 LEU HA . 7276 1 499 . 1 1 38 38 LEU HB2 H 1 2.113 0.020 . 1 . . . . 36 LEU HB2 . 7276 1 500 . 1 1 38 38 LEU HB3 H 1 2.113 0.020 . 1 . . . . 36 LEU HB3 . 7276 1 501 . 1 1 38 38 LEU HG H 1 0.895 0.020 . 1 . . . . 36 LEU HG . 7276 1 502 . 1 1 38 38 LEU HD11 H 1 0.752 0.020 . 2 . . . . 36 LEU HD1 . 7276 1 503 . 1 1 38 38 LEU HD12 H 1 0.752 0.020 . 2 . . . . 36 LEU HD1 . 7276 1 504 . 1 1 38 38 LEU HD13 H 1 0.752 0.020 . 2 . . . . 36 LEU HD1 . 7276 1 505 . 1 1 38 38 LEU HD21 H 1 0.752 0.020 . 2 . . . . 36 LEU HD2 . 7276 1 506 . 1 1 38 38 LEU HD22 H 1 0.752 0.020 . 2 . . . . 36 LEU HD2 . 7276 1 507 . 1 1 38 38 LEU HD23 H 1 0.752 0.020 . 2 . . . . 36 LEU HD2 . 7276 1 508 . 1 1 38 38 LEU C C 13 179.120 0.400 . 1 . . . . 36 LEU C . 7276 1 509 . 1 1 38 38 LEU CA C 13 58.003 0.400 . 1 . . . . 36 LEU CA . 7276 1 510 . 1 1 38 38 LEU CB C 13 41.398 0.400 . 1 . . . . 36 LEU CB . 7276 1 511 . 1 1 38 38 LEU CG C 13 25.853 0.400 . 1 . . . . 36 LEU CG . 7276 1 512 . 1 1 38 38 LEU CD1 C 13 23.760 0.400 . 1 . . . . 36 LEU CD1 . 7276 1 513 . 1 1 38 38 LEU CD2 C 13 23.760 0.400 . 1 . . . . 36 LEU CD2 . 7276 1 514 . 1 1 38 38 LEU N N 15 121.148 0.400 . 1 . . . . 36 LEU N . 7276 1 515 . 1 1 39 39 GLN H H 1 8.534 0.020 . 1 . . . . 37 GLN H . 7276 1 516 . 1 1 39 39 GLN HA H 1 3.890 0.020 . 1 . . . . 37 GLN HA . 7276 1 517 . 1 1 39 39 GLN HB2 H 1 2.349 0.020 . 2 . . . . 37 GLN HB2 . 7276 1 518 . 1 1 39 39 GLN HB3 H 1 2.030 0.020 . 2 . . . . 37 GLN HB3 . 7276 1 519 . 1 1 39 39 GLN HG2 H 1 2.644 0.020 . 2 . . . . 37 GLN HG2 . 7276 1 520 . 1 1 39 39 GLN HG3 H 1 2.335 0.020 . 2 . . . . 37 GLN HG3 . 7276 1 521 . 1 1 39 39 GLN HE21 H 1 7.066 0.020 . 2 . . . . 37 GLN HE21 . 7276 1 522 . 1 1 39 39 GLN HE22 H 1 6.848 0.020 . 2 . . . . 37 GLN HE22 . 7276 1 523 . 1 1 39 39 GLN C C 13 179.158 0.400 . 1 . . . . 37 GLN C . 7276 1 524 . 1 1 39 39 GLN CA C 13 59.436 0.400 . 1 . . . . 37 GLN CA . 7276 1 525 . 1 1 39 39 GLN CB C 13 27.537 0.400 . 1 . . . . 37 GLN CB . 7276 1 526 . 1 1 39 39 GLN CG C 13 34.638 0.400 . 1 . . . . 37 GLN CG . 7276 1 527 . 1 1 39 39 GLN CD C 13 179.566 0.400 . 1 . . . . 37 GLN CD . 7276 1 528 . 1 1 39 39 GLN N N 15 118.676 0.400 . 1 . . . . 37 GLN N . 7276 1 529 . 1 1 39 39 GLN NE2 N 15 110.751 0.400 . 1 . . . . 37 GLN NE2 . 7276 1 530 . 1 1 40 40 HIS H H 1 7.886 0.020 . 1 . . . . 38 HIS H . 7276 1 531 . 1 1 40 40 HIS HA H 1 4.582 0.020 . 1 . . . . 38 HIS HA . 7276 1 532 . 1 1 40 40 HIS HB2 H 1 3.369 0.020 . 1 . . . . 38 HIS HB2 . 7276 1 533 . 1 1 40 40 HIS HB3 H 1 3.369 0.020 . 1 . . . . 38 HIS HB3 . 7276 1 534 . 1 1 40 40 HIS HD2 H 1 7.091 0.020 . 1 . . . . 38 HIS HD2 . 7276 1 535 . 1 1 40 40 HIS HE1 H 1 8.069 0.020 . 1 . . . . 38 HIS HE1 . 7276 1 536 . 1 1 40 40 HIS C C 13 178.471 0.400 . 1 . . . . 38 HIS C . 7276 1 537 . 1 1 40 40 HIS CA C 13 58.784 0.400 . 1 . . . . 38 HIS CA . 7276 1 538 . 1 1 40 40 HIS CB C 13 28.807 0.400 . 1 . . . . 38 HIS CB . 7276 1 539 . 1 1 40 40 HIS CD2 C 13 120.736 0.400 . 1 . . . . 38 HIS CD2 . 7276 1 540 . 1 1 40 40 HIS CE1 C 13 137.749 0.400 . 1 . . . . 38 HIS CE1 . 7276 1 541 . 1 1 40 40 HIS N N 15 119.177 0.400 . 1 . . . . 38 HIS N . 7276 1 542 . 1 1 40 40 HIS ND1 N 15 193.341 0.400 . 1 . . . . 38 HIS ND1 . 7276 1 543 . 1 1 40 40 HIS NE2 N 15 178.949 0.400 . 1 . . . . 38 HIS NE2 . 7276 1 544 . 1 1 41 41 GLN H H 1 7.994 0.020 . 1 . . . . 39 GLN H . 7276 1 545 . 1 1 41 41 GLN HA H 1 4.065 0.020 . 1 . . . . 39 GLN HA . 7276 1 546 . 1 1 41 41 GLN HB2 H 1 1.984 0.020 . 1 . . . . 39 GLN HB2 . 7276 1 547 . 1 1 41 41 GLN HB3 H 1 1.984 0.020 . 1 . . . . 39 GLN HB3 . 7276 1 548 . 1 1 41 41 GLN HG2 H 1 1.989 0.020 . 1 . . . . 39 GLN HG2 . 7276 1 549 . 1 1 41 41 GLN HG3 H 1 1.989 0.020 . 1 . . . . 39 GLN HG3 . 7276 1 550 . 1 1 41 41 GLN HE21 H 1 7.585 0.020 . 2 . . . . 39 GLN HE21 . 7276 1 551 . 1 1 41 41 GLN HE22 H 1 6.919 0.020 . 2 . . . . 39 GLN HE22 . 7276 1 552 . 1 1 41 41 GLN C C 13 177.895 0.400 . 1 . . . . 39 GLN C . 7276 1 553 . 1 1 41 41 GLN CA C 13 58.580 0.400 . 1 . . . . 39 GLN CA . 7276 1 554 . 1 1 41 41 GLN CB C 13 29.232 0.400 . 1 . . . . 39 GLN CB . 7276 1 555 . 1 1 41 41 GLN CG C 13 34.689 0.400 . 1 . . . . 39 GLN CG . 7276 1 556 . 1 1 41 41 GLN CD C 13 180.772 0.400 . 1 . . . . 39 GLN CD . 7276 1 557 . 1 1 41 41 GLN N N 15 119.214 0.400 . 1 . . . . 39 GLN N . 7276 1 558 . 1 1 41 41 GLN NE2 N 15 112.743 0.400 . 1 . . . . 39 GLN NE2 . 7276 1 559 . 1 1 42 42 LEU H H 1 8.309 0.020 . 1 . . . . 40 LEU H . 7276 1 560 . 1 1 42 42 LEU HA H 1 3.984 0.020 . 1 . . . . 40 LEU HA . 7276 1 561 . 1 1 42 42 LEU HB2 H 1 2.105 0.020 . 1 . . . . 40 LEU HB2 . 7276 1 562 . 1 1 42 42 LEU HB3 H 1 2.105 0.020 . 1 . . . . 40 LEU HB3 . 7276 1 563 . 1 1 42 42 LEU HG H 1 1.676 0.020 . 1 . . . . 40 LEU HG . 7276 1 564 . 1 1 42 42 LEU HD11 H 1 0.968 0.020 . 2 . . . . 40 LEU HD1 . 7276 1 565 . 1 1 42 42 LEU HD12 H 1 0.968 0.020 . 2 . . . . 40 LEU HD1 . 7276 1 566 . 1 1 42 42 LEU HD13 H 1 0.968 0.020 . 2 . . . . 40 LEU HD1 . 7276 1 567 . 1 1 42 42 LEU HD21 H 1 0.948 0.020 . 2 . . . . 40 LEU HD2 . 7276 1 568 . 1 1 42 42 LEU HD22 H 1 0.948 0.020 . 2 . . . . 40 LEU HD2 . 7276 1 569 . 1 1 42 42 LEU HD23 H 1 0.948 0.020 . 2 . . . . 40 LEU HD2 . 7276 1 570 . 1 1 42 42 LEU C C 13 177.966 0.400 . 1 . . . . 40 LEU C . 7276 1 571 . 1 1 42 42 LEU CA C 13 58.135 0.400 . 1 . . . . 40 LEU CA . 7276 1 572 . 1 1 42 42 LEU CB C 13 41.015 0.400 . 1 . . . . 40 LEU CB . 7276 1 573 . 1 1 42 42 LEU CG C 13 26.280 0.400 . 1 . . . . 40 LEU CG . 7276 1 574 . 1 1 42 42 LEU CD1 C 13 26.582 0.400 . 1 . . . . 40 LEU CD1 . 7276 1 575 . 1 1 42 42 LEU CD2 C 13 23.882 0.400 . 1 . . . . 40 LEU CD2 . 7276 1 576 . 1 1 42 42 LEU N N 15 121.838 0.400 . 1 . . . . 40 LEU N . 7276 1 577 . 1 1 43 43 ASP H H 1 7.646 0.020 . 1 . . . . 41 ASP H . 7276 1 578 . 1 1 43 43 ASP HA H 1 4.458 0.020 . 1 . . . . 41 ASP HA . 7276 1 579 . 1 1 43 43 ASP HB2 H 1 2.921 0.020 . 2 . . . . 41 ASP HB2 . 7276 1 580 . 1 1 43 43 ASP HB3 H 1 2.704 0.020 . 2 . . . . 41 ASP HB3 . 7276 1 581 . 1 1 43 43 ASP C C 13 179.397 0.400 . 1 . . . . 41 ASP C . 7276 1 582 . 1 1 43 43 ASP CA C 13 57.839 0.400 . 1 . . . . 41 ASP CA . 7276 1 583 . 1 1 43 43 ASP CB C 13 39.908 0.400 . 1 . . . . 41 ASP CB . 7276 1 584 . 1 1 43 43 ASP CG C 13 179.242 0.400 . 1 . . . . 41 ASP CG . 7276 1 585 . 1 1 43 43 ASP N N 15 120.042 0.400 . 1 . . . . 41 ASP N . 7276 1 586 . 1 1 44 44 GLU H H 1 7.492 0.020 . 1 . . . . 42 GLU H . 7276 1 587 . 1 1 44 44 GLU HA H 1 4.076 0.020 . 1 . . . . 42 GLU HA . 7276 1 588 . 1 1 44 44 GLU HB2 H 1 2.146 0.020 . 1 . . . . 42 GLU HB2 . 7276 1 589 . 1 1 44 44 GLU HB3 H 1 2.146 0.020 . 1 . . . . 42 GLU HB3 . 7276 1 590 . 1 1 44 44 GLU HG2 H 1 2.269 0.020 . 1 . . . . 42 GLU HG2 . 7276 1 591 . 1 1 44 44 GLU HG3 H 1 2.269 0.020 . 1 . . . . 42 GLU HG3 . 7276 1 592 . 1 1 44 44 GLU C C 13 179.024 0.400 . 1 . . . . 42 GLU C . 7276 1 593 . 1 1 44 44 GLU CA C 13 59.458 0.400 . 1 . . . . 42 GLU CA . 7276 1 594 . 1 1 44 44 GLU CB C 13 29.026 0.400 . 1 . . . . 42 GLU CB . 7276 1 595 . 1 1 44 44 GLU CG C 13 36.188 0.400 . 1 . . . . 42 GLU CG . 7276 1 596 . 1 1 44 44 GLU CD C 13 183.945 0.400 . 1 . . . . 42 GLU CD . 7276 1 597 . 1 1 44 44 GLU N N 15 120.637 0.400 . 1 . . . . 42 GLU N . 7276 1 598 . 1 1 45 45 LEU H H 1 8.628 0.020 . 1 . . . . 43 LEU H . 7276 1 599 . 1 1 45 45 LEU HA H 1 4.481 0.020 . 1 . . . . 43 LEU HA . 7276 1 600 . 1 1 45 45 LEU HB2 H 1 2.099 0.020 . 1 . . . . 43 LEU HB2 . 7276 1 601 . 1 1 45 45 LEU HB3 H 1 2.099 0.020 . 1 . . . . 43 LEU HB3 . 7276 1 602 . 1 1 45 45 LEU HG H 1 1.623 0.020 . 1 . . . . 43 LEU HG . 7276 1 603 . 1 1 45 45 LEU HD11 H 1 0.937 0.020 . 2 . . . . 43 LEU HD1 . 7276 1 604 . 1 1 45 45 LEU HD12 H 1 0.937 0.020 . 2 . . . . 43 LEU HD1 . 7276 1 605 . 1 1 45 45 LEU HD13 H 1 0.937 0.020 . 2 . . . . 43 LEU HD1 . 7276 1 606 . 1 1 45 45 LEU HD21 H 1 0.898 0.020 . 2 . . . . 43 LEU HD2 . 7276 1 607 . 1 1 45 45 LEU HD22 H 1 0.898 0.020 . 2 . . . . 43 LEU HD2 . 7276 1 608 . 1 1 45 45 LEU HD23 H 1 0.898 0.020 . 2 . . . . 43 LEU HD2 . 7276 1 609 . 1 1 45 45 LEU C C 13 178.602 0.400 . 1 . . . . 43 LEU C . 7276 1 610 . 1 1 45 45 LEU CA C 13 56.766 0.400 . 1 . . . . 43 LEU CA . 7276 1 611 . 1 1 45 45 LEU CB C 13 41.418 0.400 . 1 . . . . 43 LEU CB . 7276 1 612 . 1 1 45 45 LEU CG C 13 27.359 0.400 . 1 . . . . 43 LEU CG . 7276 1 613 . 1 1 45 45 LEU CD1 C 13 28.263 0.400 . 1 . . . . 43 LEU CD1 . 7276 1 614 . 1 1 45 45 LEU CD2 C 13 24.305 0.400 . 1 . . . . 43 LEU CD2 . 7276 1 615 . 1 1 45 45 LEU N N 15 123.364 0.400 . 1 . . . . 43 LEU N . 7276 1 616 . 1 1 46 46 ASN H H 1 8.486 0.020 . 1 . . . . 44 ASN H . 7276 1 617 . 1 1 46 46 ASN HA H 1 4.350 0.020 . 1 . . . . 44 ASN HA . 7276 1 618 . 1 1 46 46 ASN HB2 H 1 2.832 0.020 . 2 . . . . 44 ASN HB2 . 7276 1 619 . 1 1 46 46 ASN HB3 H 1 2.787 0.020 . 2 . . . . 44 ASN HB3 . 7276 1 620 . 1 1 46 46 ASN HD21 H 1 7.576 0.020 . 2 . . . . 44 ASN HD21 . 7276 1 621 . 1 1 46 46 ASN HD22 H 1 6.870 0.020 . 2 . . . . 44 ASN HD22 . 7276 1 622 . 1 1 46 46 ASN C C 13 176.658 0.400 . 1 . . . . 44 ASN C . 7276 1 623 . 1 1 46 46 ASN CA C 13 56.183 0.400 . 1 . . . . 44 ASN CA . 7276 1 624 . 1 1 46 46 ASN CB C 13 39.210 0.400 . 1 . . . . 44 ASN CB . 7276 1 625 . 1 1 46 46 ASN CG C 13 176.151 0.400 . 1 . . . . 44 ASN CG . 7276 1 626 . 1 1 46 46 ASN N N 15 116.131 0.400 . 1 . . . . 44 ASN N . 7276 1 627 . 1 1 46 46 ASN ND2 N 15 113.139 0.400 . 1 . . . . 44 ASN ND2 . 7276 1 628 . 1 1 47 47 GLU H H 1 7.370 0.020 . 1 . . . . 45 GLU H . 7276 1 629 . 1 1 47 47 GLU HA H 1 4.318 0.020 . 1 . . . . 45 GLU HA . 7276 1 630 . 1 1 47 47 GLU HB2 H 1 2.130 0.020 . 1 . . . . 45 GLU HB2 . 7276 1 631 . 1 1 47 47 GLU HB3 H 1 2.130 0.020 . 1 . . . . 45 GLU HB3 . 7276 1 632 . 1 1 47 47 GLU HG2 H 1 2.302 0.020 . 1 . . . . 45 GLU HG2 . 7276 1 633 . 1 1 47 47 GLU HG3 H 1 2.302 0.020 . 1 . . . . 45 GLU HG3 . 7276 1 634 . 1 1 47 47 GLU C C 13 177.549 0.400 . 1 . . . . 45 GLU C . 7276 1 635 . 1 1 47 47 GLU CA C 13 58.079 0.400 . 1 . . . . 45 GLU CA . 7276 1 636 . 1 1 47 47 GLU CB C 13 30.349 0.400 . 1 . . . . 45 GLU CB . 7276 1 637 . 1 1 47 47 GLU CG C 13 35.898 0.400 . 1 . . . . 45 GLU CG . 7276 1 638 . 1 1 47 47 GLU CD C 13 182.064 0.400 . 1 . . . . 45 GLU CD . 7276 1 639 . 1 1 47 47 GLU N N 15 115.611 0.400 . 1 . . . . 45 GLU N . 7276 1 640 . 1 1 48 48 ASN H H 1 8.468 0.020 . 1 . . . . 46 ASN H . 7276 1 641 . 1 1 48 48 ASN HA H 1 4.691 0.020 . 1 . . . . 46 ASN HA . 7276 1 642 . 1 1 48 48 ASN HB2 H 1 2.990 0.020 . 2 . . . . 46 ASN HB2 . 7276 1 643 . 1 1 48 48 ASN HB3 H 1 2.817 0.020 . 2 . . . . 46 ASN HB3 . 7276 1 644 . 1 1 48 48 ASN HD21 H 1 7.591 0.020 . 2 . . . . 46 ASN HD21 . 7276 1 645 . 1 1 48 48 ASN HD22 H 1 5.995 0.020 . 2 . . . . 46 ASN HD22 . 7276 1 646 . 1 1 48 48 ASN C C 13 176.046 0.400 . 1 . . . . 46 ASN C . 7276 1 647 . 1 1 48 48 ASN CA C 13 53.521 0.400 . 1 . . . . 46 ASN CA . 7276 1 648 . 1 1 48 48 ASN CB C 13 38.731 0.400 . 1 . . . . 46 ASN CB . 7276 1 649 . 1 1 48 48 ASN CG C 13 175.834 0.400 . 1 . . . . 46 ASN CG . 7276 1 650 . 1 1 48 48 ASN N N 15 115.866 0.400 . 1 . . . . 46 ASN N . 7276 1 651 . 1 1 48 48 ASN ND2 N 15 110.129 0.400 . 1 . . . . 46 ASN ND2 . 7276 1 652 . 1 1 49 49 LYS H H 1 9.189 0.020 . 1 . . . . 47 LYS H . 7276 1 653 . 1 1 49 49 LYS HA H 1 3.700 0.020 . 1 . . . . 47 LYS HA . 7276 1 654 . 1 1 49 49 LYS HB2 H 1 2.014 0.020 . 1 . . . . 47 LYS HB2 . 7276 1 655 . 1 1 49 49 LYS HB3 H 1 2.014 0.020 . 1 . . . . 47 LYS HB3 . 7276 1 656 . 1 1 49 49 LYS HG2 H 1 1.276 0.020 . 1 . . . . 47 LYS HG2 . 7276 1 657 . 1 1 49 49 LYS HG3 H 1 1.276 0.020 . 1 . . . . 47 LYS HG3 . 7276 1 658 . 1 1 49 49 LYS HD2 H 1 1.767 0.020 . 2 . . . . 47 LYS HD2 . 7276 1 659 . 1 1 49 49 LYS HD3 H 1 1.617 0.020 . 2 . . . . 47 LYS HD3 . 7276 1 660 . 1 1 49 49 LYS HE2 H 1 3.091 0.020 . 1 . . . . 47 LYS HE2 . 7276 1 661 . 1 1 49 49 LYS HE3 H 1 3.091 0.020 . 1 . . . . 47 LYS HE3 . 7276 1 662 . 1 1 49 49 LYS C C 13 175.138 0.400 . 1 . . . . 47 LYS C . 7276 1 663 . 1 1 49 49 LYS CA C 13 56.746 0.400 . 1 . . . . 47 LYS CA . 7276 1 664 . 1 1 49 49 LYS CB C 13 30.191 0.400 . 1 . . . . 47 LYS CB . 7276 1 665 . 1 1 49 49 LYS CG C 13 24.980 0.400 . 1 . . . . 47 LYS CG . 7276 1 666 . 1 1 49 49 LYS CD C 13 28.876 0.400 . 1 . . . . 47 LYS CD . 7276 1 667 . 1 1 49 49 LYS CE C 13 42.868 0.400 . 1 . . . . 47 LYS CE . 7276 1 668 . 1 1 49 49 LYS N N 15 118.935 0.400 . 1 . . . . 47 LYS N . 7276 1 669 . 1 1 50 50 SER H H 1 8.098 0.020 . 1 . . . . 48 SER H . 7276 1 670 . 1 1 50 50 SER HA H 1 4.583 0.020 . 1 . . . . 48 SER HA . 7276 1 671 . 1 1 50 50 SER HB2 H 1 3.876 0.020 . 1 . . . . 48 SER HB2 . 7276 1 672 . 1 1 50 50 SER HB3 H 1 3.876 0.020 . 1 . . . . 48 SER HB3 . 7276 1 673 . 1 1 50 50 SER C C 13 176.030 0.400 . 1 . . . . 48 SER C . 7276 1 674 . 1 1 50 50 SER CA C 13 57.292 0.400 . 1 . . . . 48 SER CA . 7276 1 675 . 1 1 50 50 SER CB C 13 63.714 0.400 . 1 . . . . 48 SER CB . 7276 1 676 . 1 1 50 50 SER N N 15 112.976 0.400 . 1 . . . . 48 SER N . 7276 1 677 . 1 1 51 51 LYS H H 1 9.134 0.020 . 1 . . . . 49 LYS H . 7276 1 678 . 1 1 51 51 LYS HA H 1 4.034 0.020 . 1 . . . . 49 LYS HA . 7276 1 679 . 1 1 51 51 LYS HB2 H 1 1.776 0.020 . 1 . . . . 49 LYS HB2 . 7276 1 680 . 1 1 51 51 LYS HB3 H 1 1.776 0.020 . 1 . . . . 49 LYS HB3 . 7276 1 681 . 1 1 51 51 LYS HG2 H 1 1.455 0.020 . 1 . . . . 49 LYS HG2 . 7276 1 682 . 1 1 51 51 LYS HG3 H 1 1.455 0.020 . 1 . . . . 49 LYS HG3 . 7276 1 683 . 1 1 51 51 LYS HD2 H 1 1.667 0.020 . 1 . . . . 49 LYS HD2 . 7276 1 684 . 1 1 51 51 LYS HD3 H 1 1.667 0.020 . 1 . . . . 49 LYS HD3 . 7276 1 685 . 1 1 51 51 LYS HE2 H 1 2.969 0.020 . 1 . . . . 49 LYS HE2 . 7276 1 686 . 1 1 51 51 LYS HE3 H 1 2.969 0.020 . 1 . . . . 49 LYS HE3 . 7276 1 687 . 1 1 51 51 LYS C C 13 177.919 0.400 . 1 . . . . 49 LYS C . 7276 1 688 . 1 1 51 51 LYS CA C 13 59.662 0.400 . 1 . . . . 49 LYS CA . 7276 1 689 . 1 1 51 51 LYS CB C 13 32.731 0.400 . 1 . . . . 49 LYS CB . 7276 1 690 . 1 1 51 51 LYS CG C 13 24.450 0.400 . 1 . . . . 49 LYS CG . 7276 1 691 . 1 1 51 51 LYS CD C 13 29.190 0.400 . 1 . . . . 49 LYS CD . 7276 1 692 . 1 1 51 51 LYS CE C 13 41.870 0.400 . 1 . . . . 49 LYS CE . 7276 1 693 . 1 1 51 51 LYS N N 15 132.910 0.400 . 1 . . . . 49 LYS N . 7276 1 694 . 1 1 52 52 GLU H H 1 8.359 0.020 . 1 . . . . 50 GLU H . 7276 1 695 . 1 1 52 52 GLU HA H 1 4.065 0.020 . 1 . . . . 50 GLU HA . 7276 1 696 . 1 1 52 52 GLU HB2 H 1 1.944 0.020 . 1 . . . . 50 GLU HB2 . 7276 1 697 . 1 1 52 52 GLU HB3 H 1 1.944 0.020 . 1 . . . . 50 GLU HB3 . 7276 1 698 . 1 1 52 52 GLU HG2 H 1 2.321 0.020 . 1 . . . . 50 GLU HG2 . 7276 1 699 . 1 1 52 52 GLU HG3 H 1 2.321 0.020 . 1 . . . . 50 GLU HG3 . 7276 1 700 . 1 1 52 52 GLU C C 13 179.495 0.400 . 1 . . . . 50 GLU C . 7276 1 701 . 1 1 52 52 GLU CA C 13 59.686 0.400 . 1 . . . . 50 GLU CA . 7276 1 702 . 1 1 52 52 GLU CB C 13 29.487 0.400 . 1 . . . . 50 GLU CB . 7276 1 703 . 1 1 52 52 GLU CG C 13 36.871 0.400 . 1 . . . . 50 GLU CG . 7276 1 704 . 1 1 52 52 GLU CD C 13 183.924 0.400 . 1 . . . . 50 GLU CD . 7276 1 705 . 1 1 52 52 GLU N N 15 118.626 0.400 . 1 . . . . 50 GLU N . 7276 1 706 . 1 1 53 53 LEU H H 1 7.630 0.020 . 1 . . . . 51 LEU H . 7276 1 707 . 1 1 53 53 LEU HA H 1 4.304 0.020 . 1 . . . . 51 LEU HA . 7276 1 708 . 1 1 53 53 LEU HB2 H 1 2.021 0.020 . 1 . . . . 51 LEU HB2 . 7276 1 709 . 1 1 53 53 LEU HB3 H 1 2.021 0.020 . 1 . . . . 51 LEU HB3 . 7276 1 710 . 1 1 53 53 LEU HG H 1 1.567 0.020 . 1 . . . . 51 LEU HG . 7276 1 711 . 1 1 53 53 LEU HD11 H 1 1.082 0.020 . 2 . . . . 51 LEU HD1 . 7276 1 712 . 1 1 53 53 LEU HD12 H 1 1.082 0.020 . 2 . . . . 51 LEU HD1 . 7276 1 713 . 1 1 53 53 LEU HD13 H 1 1.082 0.020 . 2 . . . . 51 LEU HD1 . 7276 1 714 . 1 1 53 53 LEU HD21 H 1 1.071 0.020 . 2 . . . . 51 LEU HD2 . 7276 1 715 . 1 1 53 53 LEU HD22 H 1 1.071 0.020 . 2 . . . . 51 LEU HD2 . 7276 1 716 . 1 1 53 53 LEU HD23 H 1 1.071 0.020 . 2 . . . . 51 LEU HD2 . 7276 1 717 . 1 1 53 53 LEU C C 13 177.675 0.400 . 1 . . . . 51 LEU C . 7276 1 718 . 1 1 53 53 LEU CA C 13 57.211 0.400 . 1 . . . . 51 LEU CA . 7276 1 719 . 1 1 53 53 LEU CB C 13 41.237 0.400 . 1 . . . . 51 LEU CB . 7276 1 720 . 1 1 53 53 LEU CG C 13 27.298 0.400 . 1 . . . . 51 LEU CG . 7276 1 721 . 1 1 53 53 LEU CD1 C 13 25.821 0.400 . 1 . . . . 51 LEU CD1 . 7276 1 722 . 1 1 53 53 LEU CD2 C 13 22.641 0.400 . 1 . . . . 51 LEU CD2 . 7276 1 723 . 1 1 53 53 LEU N N 15 121.830 0.400 . 1 . . . . 51 LEU N . 7276 1 724 . 1 1 54 54 GLN H H 1 8.253 0.020 . 1 . . . . 52 GLN H . 7276 1 725 . 1 1 54 54 GLN HA H 1 3.687 0.020 . 1 . . . . 52 GLN HA . 7276 1 726 . 1 1 54 54 GLN HB2 H 1 1.959 0.020 . 1 . . . . 52 GLN HB2 . 7276 1 727 . 1 1 54 54 GLN HB3 H 1 1.959 0.020 . 1 . . . . 52 GLN HB3 . 7276 1 728 . 1 1 54 54 GLN HG2 H 1 2.109 0.020 . 1 . . . . 52 GLN HG2 . 7276 1 729 . 1 1 54 54 GLN HG3 H 1 2.109 0.020 . 1 . . . . 52 GLN HG3 . 7276 1 730 . 1 1 54 54 GLN HE21 H 1 7.262 0.020 . 2 . . . . 52 GLN HE21 . 7276 1 731 . 1 1 54 54 GLN HE22 H 1 8.125 0.020 . 2 . . . . 52 GLN HE22 . 7276 1 732 . 1 1 54 54 GLN C C 13 176.873 0.400 . 1 . . . . 52 GLN C . 7276 1 733 . 1 1 54 54 GLN CA C 13 60.243 0.400 . 1 . . . . 52 GLN CA . 7276 1 734 . 1 1 54 54 GLN CB C 13 30.468 0.400 . 1 . . . . 52 GLN CB . 7276 1 735 . 1 1 54 54 GLN CG C 13 34.054 0.400 . 1 . . . . 52 GLN CG . 7276 1 736 . 1 1 54 54 GLN CD C 13 178.985 0.400 . 1 . . . . 52 GLN CD . 7276 1 737 . 1 1 54 54 GLN N N 15 119.804 0.400 . 1 . . . . 52 GLN N . 7276 1 738 . 1 1 54 54 GLN NE2 N 15 117.424 0.400 . 1 . . . . 52 GLN NE2 . 7276 1 739 . 1 1 55 55 GLU H H 1 8.369 0.020 . 1 . . . . 53 GLU H . 7276 1 740 . 1 1 55 55 GLU HA H 1 3.957 0.020 . 1 . . . . 53 GLU HA . 7276 1 741 . 1 1 55 55 GLU HB2 H 1 2.167 0.020 . 2 . . . . 53 GLU HB2 . 7276 1 742 . 1 1 55 55 GLU HB3 H 1 2.036 0.020 . 2 . . . . 53 GLU HB3 . 7276 1 743 . 1 1 55 55 GLU HG2 H 1 2.561 0.020 . 1 . . . . 53 GLU HG2 . 7276 1 744 . 1 1 55 55 GLU HG3 H 1 2.561 0.020 . 1 . . . . 53 GLU HG3 . 7276 1 745 . 1 1 55 55 GLU C C 13 179.046 0.400 . 1 . . . . 53 GLU C . 7276 1 746 . 1 1 55 55 GLU CA C 13 59.685 0.400 . 1 . . . . 53 GLU CA . 7276 1 747 . 1 1 55 55 GLU CB C 13 29.517 0.400 . 1 . . . . 53 GLU CB . 7276 1 748 . 1 1 55 55 GLU CG C 13 36.820 0.400 . 1 . . . . 53 GLU CG . 7276 1 749 . 1 1 55 55 GLU CD C 13 183.396 0.400 . 1 . . . . 53 GLU CD . 7276 1 750 . 1 1 55 55 GLU N N 15 116.021 0.400 . 1 . . . . 53 GLU N . 7276 1 751 . 1 1 56 56 LYS H H 1 7.784 0.020 . 1 . . . . 54 LYS H . 7276 1 752 . 1 1 56 56 LYS HA H 1 4.031 0.020 . 1 . . . . 54 LYS HA . 7276 1 753 . 1 1 56 56 LYS HB2 H 1 2.159 0.020 . 1 . . . . 54 LYS HB2 . 7276 1 754 . 1 1 56 56 LYS HB3 H 1 2.159 0.020 . 1 . . . . 54 LYS HB3 . 7276 1 755 . 1 1 56 56 LYS HG2 H 1 1.604 0.020 . 1 . . . . 54 LYS HG2 . 7276 1 756 . 1 1 56 56 LYS HG3 H 1 1.604 0.020 . 1 . . . . 54 LYS HG3 . 7276 1 757 . 1 1 56 56 LYS HD2 H 1 1.698 0.020 . 1 . . . . 54 LYS HD2 . 7276 1 758 . 1 1 56 56 LYS HD3 H 1 1.698 0.020 . 1 . . . . 54 LYS HD3 . 7276 1 759 . 1 1 56 56 LYS HE2 H 1 2.956 0.020 . 1 . . . . 54 LYS HE2 . 7276 1 760 . 1 1 56 56 LYS HE3 H 1 2.956 0.020 . 1 . . . . 54 LYS HE3 . 7276 1 761 . 1 1 56 56 LYS C C 13 178.626 0.400 . 1 . . . . 54 LYS C . 7276 1 762 . 1 1 56 56 LYS CA C 13 59.997 0.400 . 1 . . . . 54 LYS CA . 7276 1 763 . 1 1 56 56 LYS CB C 13 32.817 0.400 . 1 . . . . 54 LYS CB . 7276 1 764 . 1 1 56 56 LYS CG C 13 25.214 0.400 . 1 . . . . 54 LYS CG . 7276 1 765 . 1 1 56 56 LYS CD C 13 28.260 0.400 . 1 . . . . 54 LYS CD . 7276 1 766 . 1 1 56 56 LYS CE C 13 42.000 0.400 . 1 . . . . 54 LYS CE . 7276 1 767 . 1 1 56 56 LYS N N 15 121.279 0.400 . 1 . . . . 54 LYS N . 7276 1 768 . 1 1 57 57 ILE H H 1 8.567 0.020 . 1 . . . . 55 ILE H . 7276 1 769 . 1 1 57 57 ILE HA H 1 3.684 0.020 . 1 . . . . 55 ILE HA . 7276 1 770 . 1 1 57 57 ILE HB H 1 1.858 0.020 . 1 . . . . 55 ILE HB . 7276 1 771 . 1 1 57 57 ILE HG12 H 1 0.870 0.020 . 1 . . . . 55 ILE HG12 . 7276 1 772 . 1 1 57 57 ILE HG13 H 1 0.870 0.020 . 1 . . . . 55 ILE HG13 . 7276 1 773 . 1 1 57 57 ILE HG21 H 1 0.949 0.020 . 1 . . . . 55 ILE HG2 . 7276 1 774 . 1 1 57 57 ILE HG22 H 1 0.949 0.020 . 1 . . . . 55 ILE HG2 . 7276 1 775 . 1 1 57 57 ILE HG23 H 1 0.949 0.020 . 1 . . . . 55 ILE HG2 . 7276 1 776 . 1 1 57 57 ILE HD11 H 1 0.728 0.020 . 1 . . . . 55 ILE HD1 . 7276 1 777 . 1 1 57 57 ILE HD12 H 1 0.728 0.020 . 1 . . . . 55 ILE HD1 . 7276 1 778 . 1 1 57 57 ILE HD13 H 1 0.728 0.020 . 1 . . . . 55 ILE HD1 . 7276 1 779 . 1 1 57 57 ILE C C 13 178.246 0.400 . 1 . . . . 55 ILE C . 7276 1 780 . 1 1 57 57 ILE CA C 13 65.840 0.400 . 1 . . . . 55 ILE CA . 7276 1 781 . 1 1 57 57 ILE CB C 13 38.423 0.400 . 1 . . . . 55 ILE CB . 7276 1 782 . 1 1 57 57 ILE CG1 C 13 28.443 0.400 . 1 . . . . 55 ILE CG1 . 7276 1 783 . 1 1 57 57 ILE CG2 C 13 18.521 0.400 . 1 . . . . 55 ILE CG2 . 7276 1 784 . 1 1 57 57 ILE CD1 C 13 15.540 0.400 . 1 . . . . 55 ILE CD1 . 7276 1 785 . 1 1 57 57 ILE N N 15 118.932 0.400 . 1 . . . . 55 ILE N . 7276 1 786 . 1 1 58 58 ILE H H 1 8.191 0.020 . 1 . . . . 56 ILE H . 7276 1 787 . 1 1 58 58 ILE HA H 1 3.870 0.020 . 1 . . . . 56 ILE HA . 7276 1 788 . 1 1 58 58 ILE HB H 1 1.843 0.020 . 1 . . . . 56 ILE HB . 7276 1 789 . 1 1 58 58 ILE HG12 H 1 1.252 0.020 . 1 . . . . 56 ILE HG12 . 7276 1 790 . 1 1 58 58 ILE HG13 H 1 1.252 0.020 . 1 . . . . 56 ILE HG13 . 7276 1 791 . 1 1 58 58 ILE HG21 H 1 0.949 0.020 . 1 . . . . 56 ILE HG2 . 7276 1 792 . 1 1 58 58 ILE HG22 H 1 0.949 0.020 . 1 . . . . 56 ILE HG2 . 7276 1 793 . 1 1 58 58 ILE HG23 H 1 0.949 0.020 . 1 . . . . 56 ILE HG2 . 7276 1 794 . 1 1 58 58 ILE HD11 H 1 0.914 0.020 . 1 . . . . 56 ILE HD1 . 7276 1 795 . 1 1 58 58 ILE HD12 H 1 0.914 0.020 . 1 . . . . 56 ILE HD1 . 7276 1 796 . 1 1 58 58 ILE HD13 H 1 0.914 0.020 . 1 . . . . 56 ILE HD1 . 7276 1 797 . 1 1 58 58 ILE C C 13 177.967 0.400 . 1 . . . . 56 ILE C . 7276 1 798 . 1 1 58 58 ILE CA C 13 65.258 0.400 . 1 . . . . 56 ILE CA . 7276 1 799 . 1 1 58 58 ILE CB C 13 37.418 0.400 . 1 . . . . 56 ILE CB . 7276 1 800 . 1 1 58 58 ILE CG1 C 13 29.476 0.400 . 1 . . . . 56 ILE CG1 . 7276 1 801 . 1 1 58 58 ILE CG2 C 13 17.097 0.400 . 1 . . . . 56 ILE CG2 . 7276 1 802 . 1 1 58 58 ILE CD1 C 13 13.242 0.400 . 1 . . . . 56 ILE CD1 . 7276 1 803 . 1 1 58 58 ILE N N 15 119.130 0.400 . 1 . . . . 56 ILE N . 7276 1 804 . 1 1 59 59 ARG H H 1 7.923 0.020 . 1 . . . . 57 ARG H . 7276 1 805 . 1 1 59 59 ARG HA H 1 4.207 0.020 . 1 . . . . 57 ARG HA . 7276 1 806 . 1 1 59 59 ARG HB2 H 1 2.099 0.020 . 2 . . . . 57 ARG HB2 . 7276 1 807 . 1 1 59 59 ARG HB3 H 1 1.983 0.020 . 2 . . . . 57 ARG HB3 . 7276 1 808 . 1 1 59 59 ARG HG2 H 1 1.871 0.020 . 2 . . . . 57 ARG HG2 . 7276 1 809 . 1 1 59 59 ARG HG3 H 1 1.721 0.020 . 2 . . . . 57 ARG HG3 . 7276 1 810 . 1 1 59 59 ARG HD2 H 1 3.276 0.020 . 1 . . . . 57 ARG HD2 . 7276 1 811 . 1 1 59 59 ARG HD3 H 1 3.276 0.020 . 1 . . . . 57 ARG HD3 . 7276 1 812 . 1 1 59 59 ARG C C 13 179.629 0.400 . 1 . . . . 57 ARG C . 7276 1 813 . 1 1 59 59 ARG CA C 13 59.674 0.400 . 1 . . . . 57 ARG CA . 7276 1 814 . 1 1 59 59 ARG CB C 13 30.027 0.400 . 1 . . . . 57 ARG CB . 7276 1 815 . 1 1 59 59 ARG CG C 13 27.807 0.400 . 1 . . . . 57 ARG CG . 7276 1 816 . 1 1 59 59 ARG CD C 13 43.678 0.400 . 1 . . . . 57 ARG CD . 7276 1 817 . 1 1 59 59 ARG N N 15 118.854 0.400 . 1 . . . . 57 ARG N . 7276 1 818 . 1 1 60 60 GLU H H 1 8.194 0.020 . 1 . . . . 58 GLU H . 7276 1 819 . 1 1 60 60 GLU HA H 1 4.133 0.020 . 1 . . . . 58 GLU HA . 7276 1 820 . 1 1 60 60 GLU HB2 H 1 2.298 0.020 . 1 . . . . 58 GLU HB2 . 7276 1 821 . 1 1 60 60 GLU HB3 H 1 2.298 0.020 . 1 . . . . 58 GLU HB3 . 7276 1 822 . 1 1 60 60 GLU HG2 H 1 2.613 0.020 . 1 . . . . 58 GLU HG2 . 7276 1 823 . 1 1 60 60 GLU HG3 H 1 2.613 0.020 . 1 . . . . 58 GLU HG3 . 7276 1 824 . 1 1 60 60 GLU C C 13 180.156 0.400 . 1 . . . . 58 GLU C . 7276 1 825 . 1 1 60 60 GLU CA C 13 59.649 0.400 . 1 . . . . 58 GLU CA . 7276 1 826 . 1 1 60 60 GLU CB C 13 29.798 0.400 . 1 . . . . 58 GLU CB . 7276 1 827 . 1 1 60 60 GLU CG C 13 36.970 0.400 . 1 . . . . 58 GLU CG . 7276 1 828 . 1 1 60 60 GLU CD C 13 183.897 0.400 . 1 . . . . 58 GLU CD . 7276 1 829 . 1 1 60 60 GLU N N 15 119.293 0.400 . 1 . . . . 58 GLU N . 7276 1 830 . 1 1 61 61 LEU H H 1 9.049 0.020 . 1 . . . . 59 LEU H . 7276 1 831 . 1 1 61 61 LEU HA H 1 3.968 0.020 . 1 . . . . 59 LEU HA . 7276 1 832 . 1 1 61 61 LEU HB2 H 1 2.160 0.020 . 1 . . . . 59 LEU HB2 . 7276 1 833 . 1 1 61 61 LEU HB3 H 1 2.160 0.020 . 1 . . . . 59 LEU HB3 . 7276 1 834 . 1 1 61 61 LEU HG H 1 1.851 0.020 . 1 . . . . 59 LEU HG . 7276 1 835 . 1 1 61 61 LEU HD11 H 1 0.824 0.020 . 2 . . . . 59 LEU HD1 . 7276 1 836 . 1 1 61 61 LEU HD12 H 1 0.824 0.020 . 2 . . . . 59 LEU HD1 . 7276 1 837 . 1 1 61 61 LEU HD13 H 1 0.824 0.020 . 2 . . . . 59 LEU HD1 . 7276 1 838 . 1 1 61 61 LEU HD21 H 1 0.918 0.020 . 2 . . . . 59 LEU HD2 . 7276 1 839 . 1 1 61 61 LEU HD22 H 1 0.918 0.020 . 2 . . . . 59 LEU HD2 . 7276 1 840 . 1 1 61 61 LEU HD23 H 1 0.918 0.020 . 2 . . . . 59 LEU HD2 . 7276 1 841 . 1 1 61 61 LEU C C 13 178.764 0.400 . 1 . . . . 59 LEU C . 7276 1 842 . 1 1 61 61 LEU CA C 13 58.615 0.400 . 1 . . . . 59 LEU CA . 7276 1 843 . 1 1 61 61 LEU CB C 13 42.112 0.400 . 1 . . . . 59 LEU CB . 7276 1 844 . 1 1 61 61 LEU CG C 13 27.258 0.400 . 1 . . . . 59 LEU CG . 7276 1 845 . 1 1 61 61 LEU CD1 C 13 26.377 0.400 . 1 . . . . 59 LEU CD1 . 7276 1 846 . 1 1 61 61 LEU CD2 C 13 25.062 0.400 . 1 . . . . 59 LEU CD2 . 7276 1 847 . 1 1 61 61 LEU N N 15 122.199 0.400 . 1 . . . . 59 LEU N . 7276 1 848 . 1 1 62 62 ASP H H 1 8.230 0.020 . 1 . . . . 60 ASP H . 7276 1 849 . 1 1 62 62 ASP HA H 1 4.424 0.020 . 1 . . . . 60 ASP HA . 7276 1 850 . 1 1 62 62 ASP HB2 H 1 2.944 0.020 . 2 . . . . 60 ASP HB2 . 7276 1 851 . 1 1 62 62 ASP HB3 H 1 2.754 0.020 . 2 . . . . 60 ASP HB3 . 7276 1 852 . 1 1 62 62 ASP C C 13 179.516 0.400 . 1 . . . . 60 ASP C . 7276 1 853 . 1 1 62 62 ASP CA C 13 57.755 0.400 . 1 . . . . 60 ASP CA . 7276 1 854 . 1 1 62 62 ASP CB C 13 40.828 0.400 . 1 . . . . 60 ASP CB . 7276 1 855 . 1 1 62 62 ASP CG C 13 178.880 0.400 . 1 . . . . 60 ASP CG . 7276 1 856 . 1 1 62 62 ASP N N 15 120.070 0.400 . 1 . . . . 60 ASP N . 7276 1 857 . 1 1 63 63 VAL H H 1 7.524 0.020 . 1 . . . . 61 VAL H . 7276 1 858 . 1 1 63 63 VAL HA H 1 3.771 0.020 . 1 . . . . 61 VAL HA . 7276 1 859 . 1 1 63 63 VAL HB H 1 2.313 0.020 . 1 . . . . 61 VAL HB . 7276 1 860 . 1 1 63 63 VAL HG11 H 1 1.166 0.020 . 2 . . . . 61 VAL HG1 . 7276 1 861 . 1 1 63 63 VAL HG12 H 1 1.166 0.020 . 2 . . . . 61 VAL HG1 . 7276 1 862 . 1 1 63 63 VAL HG13 H 1 1.166 0.020 . 2 . . . . 61 VAL HG1 . 7276 1 863 . 1 1 63 63 VAL HG21 H 1 1.030 0.020 . 2 . . . . 61 VAL HG2 . 7276 1 864 . 1 1 63 63 VAL HG22 H 1 1.030 0.020 . 2 . . . . 61 VAL HG2 . 7276 1 865 . 1 1 63 63 VAL HG23 H 1 1.030 0.020 . 2 . . . . 61 VAL HG2 . 7276 1 866 . 1 1 63 63 VAL C C 13 179.086 0.400 . 1 . . . . 61 VAL C . 7276 1 867 . 1 1 63 63 VAL CA C 13 66.470 0.400 . 1 . . . . 61 VAL CA . 7276 1 868 . 1 1 63 63 VAL CB C 13 32.550 0.400 . 1 . . . . 61 VAL CB . 7276 1 869 . 1 1 63 63 VAL CG1 C 13 22.556 0.400 . 1 . . . . 61 VAL CG1 . 7276 1 870 . 1 1 63 63 VAL CG2 C 13 21.328 0.400 . 1 . . . . 61 VAL CG2 . 7276 1 871 . 1 1 63 63 VAL N N 15 119.620 0.400 . 1 . . . . 61 VAL N . 7276 1 872 . 1 1 64 64 VAL H H 1 8.057 0.020 . 1 . . . . 62 VAL H . 7276 1 873 . 1 1 64 64 VAL HA H 1 3.864 0.020 . 1 . . . . 62 VAL HA . 7276 1 874 . 1 1 64 64 VAL HB H 1 2.242 0.020 . 1 . . . . 62 VAL HB . 7276 1 875 . 1 1 64 64 VAL HG11 H 1 1.146 0.020 . 2 . . . . 62 VAL HG1 . 7276 1 876 . 1 1 64 64 VAL HG12 H 1 1.146 0.020 . 2 . . . . 62 VAL HG1 . 7276 1 877 . 1 1 64 64 VAL HG13 H 1 1.146 0.020 . 2 . . . . 62 VAL HG1 . 7276 1 878 . 1 1 64 64 VAL HG21 H 1 1.159 0.020 . 2 . . . . 62 VAL HG2 . 7276 1 879 . 1 1 64 64 VAL HG22 H 1 1.159 0.020 . 2 . . . . 62 VAL HG2 . 7276 1 880 . 1 1 64 64 VAL HG23 H 1 1.159 0.020 . 2 . . . . 62 VAL HG2 . 7276 1 881 . 1 1 64 64 VAL C C 13 178.300 0.400 . 1 . . . . 62 VAL C . 7276 1 882 . 1 1 64 64 VAL CA C 13 66.357 0.400 . 1 . . . . 62 VAL CA . 7276 1 883 . 1 1 64 64 VAL CB C 13 32.060 0.400 . 1 . . . . 62 VAL CB . 7276 1 884 . 1 1 64 64 VAL CG1 C 13 23.313 0.400 . 1 . . . . 62 VAL CG1 . 7276 1 885 . 1 1 64 64 VAL CG2 C 13 23.305 0.400 . 1 . . . . 62 VAL CG2 . 7276 1 886 . 1 1 64 64 VAL N N 15 120.486 0.400 . 1 . . . . 62 VAL N . 7276 1 887 . 1 1 65 65 CYS H H 1 8.992 0.020 . 1 . . . . 63 CYS H . 7276 1 888 . 1 1 65 65 CYS HA H 1 3.937 0.020 . 1 . . . . 63 CYS HA . 7276 1 889 . 1 1 65 65 CYS HB2 H 1 3.113 0.020 . 2 . . . . 63 CYS HB2 . 7276 1 890 . 1 1 65 65 CYS HB3 H 1 2.961 0.020 . 2 . . . . 63 CYS HB3 . 7276 1 891 . 1 1 65 65 CYS C C 13 176.452 0.400 . 1 . . . . 63 CYS C . 7276 1 892 . 1 1 65 65 CYS CA C 13 64.682 0.400 . 1 . . . . 63 CYS CA . 7276 1 893 . 1 1 65 65 CYS CB C 13 26.589 0.400 . 1 . . . . 63 CYS CB . 7276 1 894 . 1 1 65 65 CYS N N 15 118.966 0.400 . 1 . . . . 63 CYS N . 7276 1 895 . 1 1 66 66 ALA H H 1 7.905 0.020 . 1 . . . . 64 ALA H . 7276 1 896 . 1 1 66 66 ALA HA H 1 4.242 0.020 . 1 . . . . 64 ALA HA . 7276 1 897 . 1 1 66 66 ALA HB1 H 1 1.546 0.020 . 1 . . . . 64 ALA HB . 7276 1 898 . 1 1 66 66 ALA HB2 H 1 1.546 0.020 . 1 . . . . 64 ALA HB . 7276 1 899 . 1 1 66 66 ALA HB3 H 1 1.546 0.020 . 1 . . . . 64 ALA HB . 7276 1 900 . 1 1 66 66 ALA C C 13 181.221 0.400 . 1 . . . . 64 ALA C . 7276 1 901 . 1 1 66 66 ALA CA C 13 55.338 0.400 . 1 . . . . 64 ALA CA . 7276 1 902 . 1 1 66 66 ALA CB C 13 17.701 0.400 . 1 . . . . 64 ALA CB . 7276 1 903 . 1 1 66 66 ALA N N 15 120.501 0.400 . 1 . . . . 64 ALA N . 7276 1 904 . 1 1 67 67 MET H H 1 7.858 0.020 . 1 . . . . 65 MET H . 7276 1 905 . 1 1 67 67 MET HA H 1 4.106 0.020 . 1 . . . . 65 MET HA . 7276 1 906 . 1 1 67 67 MET HB2 H 1 2.669 0.020 . 2 . . . . 65 MET HB2 . 7276 1 907 . 1 1 67 67 MET HB3 H 1 2.376 0.020 . 2 . . . . 65 MET HB3 . 7276 1 908 . 1 1 67 67 MET HG2 H 1 2.177 0.020 . 1 . . . . 65 MET HG2 . 7276 1 909 . 1 1 67 67 MET HG3 H 1 2.177 0.020 . 1 . . . . 65 MET HG3 . 7276 1 910 . 1 1 67 67 MET HE1 H 1 2.132 0.020 . 1 . . . . 65 MET HE . 7276 1 911 . 1 1 67 67 MET HE2 H 1 2.132 0.020 . 1 . . . . 65 MET HE . 7276 1 912 . 1 1 67 67 MET HE3 H 1 2.132 0.020 . 1 . . . . 65 MET HE . 7276 1 913 . 1 1 67 67 MET C C 13 178.982 0.400 . 1 . . . . 65 MET C . 7276 1 914 . 1 1 67 67 MET CA C 13 58.919 0.400 . 1 . . . . 65 MET CA . 7276 1 915 . 1 1 67 67 MET CB C 13 31.371 0.400 . 1 . . . . 65 MET CB . 7276 1 916 . 1 1 67 67 MET CG C 13 32.612 0.400 . 1 . . . . 65 MET CG . 7276 1 917 . 1 1 67 67 MET CE C 13 16.404 0.400 . 1 . . . . 65 MET CE . 7276 1 918 . 1 1 67 67 MET N N 15 119.880 0.400 . 1 . . . . 65 MET N . 7276 1 919 . 1 1 68 68 ILE H H 1 8.327 0.020 . 1 . . . . 66 ILE H . 7276 1 920 . 1 1 68 68 ILE HA H 1 3.781 0.020 . 1 . . . . 66 ILE HA . 7276 1 921 . 1 1 68 68 ILE HB H 1 2.094 0.020 . 1 . . . . 66 ILE HB . 7276 1 922 . 1 1 68 68 ILE HG12 H 1 1.473 0.020 . 1 . . . . 66 ILE HG12 . 7276 1 923 . 1 1 68 68 ILE HG13 H 1 1.473 0.020 . 1 . . . . 66 ILE HG13 . 7276 1 924 . 1 1 68 68 ILE HG21 H 1 1.002 0.020 . 1 . . . . 66 ILE HG2 . 7276 1 925 . 1 1 68 68 ILE HG22 H 1 1.002 0.020 . 1 . . . . 66 ILE HG2 . 7276 1 926 . 1 1 68 68 ILE HG23 H 1 1.002 0.020 . 1 . . . . 66 ILE HG2 . 7276 1 927 . 1 1 68 68 ILE HD11 H 1 0.729 0.020 . 1 . . . . 66 ILE HD1 . 7276 1 928 . 1 1 68 68 ILE HD12 H 1 0.729 0.020 . 1 . . . . 66 ILE HD1 . 7276 1 929 . 1 1 68 68 ILE HD13 H 1 0.729 0.020 . 1 . . . . 66 ILE HD1 . 7276 1 930 . 1 1 68 68 ILE C C 13 178.200 0.400 . 1 . . . . 66 ILE C . 7276 1 931 . 1 1 68 68 ILE CA C 13 63.257 0.400 . 1 . . . . 66 ILE CA . 7276 1 932 . 1 1 68 68 ILE CB C 13 36.291 0.400 . 1 . . . . 66 ILE CB . 7276 1 933 . 1 1 68 68 ILE CG1 C 13 27.656 0.400 . 1 . . . . 66 ILE CG1 . 7276 1 934 . 1 1 68 68 ILE CG2 C 13 18.963 0.400 . 1 . . . . 66 ILE CG2 . 7276 1 935 . 1 1 68 68 ILE CD1 C 13 12.153 0.400 . 1 . . . . 66 ILE CD1 . 7276 1 936 . 1 1 68 68 ILE N N 15 120.365 0.400 . 1 . . . . 66 ILE N . 7276 1 937 . 1 1 69 69 GLU H H 1 9.234 0.020 . 1 . . . . 67 GLU H . 7276 1 938 . 1 1 69 69 GLU HA H 1 4.080 0.020 . 1 . . . . 67 GLU HA . 7276 1 939 . 1 1 69 69 GLU HB2 H 1 2.208 0.020 . 2 . . . . 67 GLU HB2 . 7276 1 940 . 1 1 69 69 GLU HB3 H 1 2.035 0.020 . 2 . . . . 67 GLU HB3 . 7276 1 941 . 1 1 69 69 GLU HG2 H 1 2.568 0.020 . 1 . . . . 67 GLU HG2 . 7276 1 942 . 1 1 69 69 GLU HG3 H 1 2.568 0.020 . 1 . . . . 67 GLU HG3 . 7276 1 943 . 1 1 69 69 GLU C C 13 180.934 0.400 . 1 . . . . 67 GLU C . 7276 1 944 . 1 1 69 69 GLU CA C 13 60.225 0.400 . 1 . . . . 67 GLU CA . 7276 1 945 . 1 1 69 69 GLU CB C 13 29.603 0.400 . 1 . . . . 67 GLU CB . 7276 1 946 . 1 1 69 69 GLU CG C 13 37.754 0.400 . 1 . . . . 67 GLU CG . 7276 1 947 . 1 1 69 69 GLU CD C 13 183.393 0.400 . 1 . . . . 67 GLU CD . 7276 1 948 . 1 1 69 69 GLU N N 15 121.413 0.400 . 1 . . . . 67 GLU N . 7276 1 949 . 1 1 70 70 GLY H H 1 8.261 0.020 . 1 . . . . 68 GLY H . 7276 1 950 . 1 1 70 70 GLY HA2 H 1 3.966 0.020 . 1 . . . . 68 GLY HA2 . 7276 1 951 . 1 1 70 70 GLY HA3 H 1 3.966 0.020 . 1 . . . . 68 GLY HA3 . 7276 1 952 . 1 1 70 70 GLY C C 13 176.647 0.400 . 1 . . . . 68 GLY C . 7276 1 953 . 1 1 70 70 GLY CA C 13 46.912 0.400 . 1 . . . . 68 GLY CA . 7276 1 954 . 1 1 70 70 GLY N N 15 107.891 0.400 . 1 . . . . 68 GLY N . 7276 1 955 . 1 1 71 71 ALA H H 1 7.834 0.020 . 1 . . . . 69 ALA H . 7276 1 956 . 1 1 71 71 ALA HA H 1 4.075 0.020 . 1 . . . . 69 ALA HA . 7276 1 957 . 1 1 71 71 ALA HB1 H 1 1.499 0.020 . 1 . . . . 69 ALA HB . 7276 1 958 . 1 1 71 71 ALA HB2 H 1 1.499 0.020 . 1 . . . . 69 ALA HB . 7276 1 959 . 1 1 71 71 ALA HB3 H 1 1.499 0.020 . 1 . . . . 69 ALA HB . 7276 1 960 . 1 1 71 71 ALA C C 13 179.089 0.400 . 1 . . . . 69 ALA C . 7276 1 961 . 1 1 71 71 ALA CA C 13 55.200 0.400 . 1 . . . . 69 ALA CA . 7276 1 962 . 1 1 71 71 ALA CB C 13 17.387 0.400 . 1 . . . . 69 ALA CB . 7276 1 963 . 1 1 71 71 ALA N N 15 126.434 0.400 . 1 . . . . 69 ALA N . 7276 1 964 . 1 1 72 72 GLN H H 1 8.912 0.020 . 1 . . . . 70 GLN H . 7276 1 965 . 1 1 72 72 GLN HA H 1 3.942 0.020 . 1 . . . . 70 GLN HA . 7276 1 966 . 1 1 72 72 GLN HB2 H 1 2.250 0.020 . 1 . . . . 70 GLN HB2 . 7276 1 967 . 1 1 72 72 GLN HB3 H 1 2.250 0.020 . 1 . . . . 70 GLN HB3 . 7276 1 968 . 1 1 72 72 GLN HG2 H 1 2.518 0.020 . 1 . . . . 70 GLN HG2 . 7276 1 969 . 1 1 72 72 GLN HG3 H 1 2.518 0.020 . 1 . . . . 70 GLN HG3 . 7276 1 970 . 1 1 72 72 GLN HE21 H 1 7.386 0.020 . 2 . . . . 70 GLN HE21 . 7276 1 971 . 1 1 72 72 GLN HE22 H 1 6.532 0.020 . 2 . . . . 70 GLN HE22 . 7276 1 972 . 1 1 72 72 GLN C C 13 179.131 0.400 . 1 . . . . 70 GLN C . 7276 1 973 . 1 1 72 72 GLN CA C 13 60.087 0.400 . 1 . . . . 70 GLN CA . 7276 1 974 . 1 1 72 72 GLN CB C 13 28.993 0.400 . 1 . . . . 70 GLN CB . 7276 1 975 . 1 1 72 72 GLN CG C 13 34.654 0.400 . 1 . . . . 70 GLN CG . 7276 1 976 . 1 1 72 72 GLN CD C 13 179.069 0.400 . 1 . . . . 70 GLN CD . 7276 1 977 . 1 1 72 72 GLN N N 15 117.646 0.400 . 1 . . . . 70 GLN N . 7276 1 978 . 1 1 72 72 GLN NE2 N 15 108.306 0.400 . 1 . . . . 70 GLN NE2 . 7276 1 979 . 1 1 73 73 GLY H H 1 8.363 0.020 . 1 . . . . 71 GLY H . 7276 1 980 . 1 1 73 73 GLY HA2 H 1 3.978 0.020 . 2 . . . . 71 GLY HA2 . 7276 1 981 . 1 1 73 73 GLY HA3 H 1 3.895 0.020 . 2 . . . . 71 GLY HA3 . 7276 1 982 . 1 1 73 73 GLY C C 13 176.342 0.400 . 1 . . . . 71 GLY C . 7276 1 983 . 1 1 73 73 GLY CA C 13 46.975 0.400 . 1 . . . . 71 GLY CA . 7276 1 984 . 1 1 73 73 GLY N N 15 106.241 0.400 . 1 . . . . 71 GLY N . 7276 1 985 . 1 1 74 74 ALA H H 1 7.681 0.020 . 1 . . . . 72 ALA H . 7276 1 986 . 1 1 74 74 ALA HA H 1 4.131 0.020 . 1 . . . . 72 ALA HA . 7276 1 987 . 1 1 74 74 ALA HB1 H 1 1.503 0.020 . 1 . . . . 72 ALA HB . 7276 1 988 . 1 1 74 74 ALA HB2 H 1 1.503 0.020 . 1 . . . . 72 ALA HB . 7276 1 989 . 1 1 74 74 ALA HB3 H 1 1.503 0.020 . 1 . . . . 72 ALA HB . 7276 1 990 . 1 1 74 74 ALA C C 13 180.473 0.400 . 1 . . . . 72 ALA C . 7276 1 991 . 1 1 74 74 ALA CA C 13 55.188 0.400 . 1 . . . . 72 ALA CA . 7276 1 992 . 1 1 74 74 ALA CB C 13 18.193 0.400 . 1 . . . . 72 ALA CB . 7276 1 993 . 1 1 74 74 ALA N N 15 124.756 0.400 . 1 . . . . 72 ALA N . 7276 1 994 . 1 1 75 75 LEU H H 1 8.125 0.020 . 1 . . . . 73 LEU H . 7276 1 995 . 1 1 75 75 LEU HA H 1 3.692 0.020 . 1 . . . . 73 LEU HA . 7276 1 996 . 1 1 75 75 LEU HB2 H 1 2.105 0.020 . 1 . . . . 73 LEU HB2 . 7276 1 997 . 1 1 75 75 LEU HB3 H 1 2.105 0.020 . 1 . . . . 73 LEU HB3 . 7276 1 998 . 1 1 75 75 LEU HG H 1 1.233 0.020 . 1 . . . . 73 LEU HG . 7276 1 999 . 1 1 75 75 LEU HD11 H 1 0.941 0.020 . 2 . . . . 73 LEU HD1 . 7276 1 1000 . 1 1 75 75 LEU HD12 H 1 0.941 0.020 . 2 . . . . 73 LEU HD1 . 7276 1 1001 . 1 1 75 75 LEU HD13 H 1 0.941 0.020 . 2 . . . . 73 LEU HD1 . 7276 1 1002 . 1 1 75 75 LEU HD21 H 1 0.941 0.020 . 2 . . . . 73 LEU HD2 . 7276 1 1003 . 1 1 75 75 LEU HD22 H 1 0.941 0.020 . 2 . . . . 73 LEU HD2 . 7276 1 1004 . 1 1 75 75 LEU HD23 H 1 0.941 0.020 . 2 . . . . 73 LEU HD2 . 7276 1 1005 . 1 1 75 75 LEU C C 13 177.980 0.400 . 1 . . . . 73 LEU C . 7276 1 1006 . 1 1 75 75 LEU CA C 13 58.070 0.400 . 1 . . . . 73 LEU CA . 7276 1 1007 . 1 1 75 75 LEU CB C 13 41.825 0.400 . 1 . . . . 73 LEU CB . 7276 1 1008 . 1 1 75 75 LEU CG C 13 27.022 0.400 . 1 . . . . 73 LEU CG . 7276 1 1009 . 1 1 75 75 LEU CD1 C 13 24.000 0.400 . 1 . . . . 73 LEU CD1 . 7276 1 1010 . 1 1 75 75 LEU CD2 C 13 24.000 0.400 . 1 . . . . 73 LEU CD2 . 7276 1 1011 . 1 1 75 75 LEU N N 15 119.460 0.400 . 1 . . . . 73 LEU N . 7276 1 1012 . 1 1 76 76 GLU H H 1 8.421 0.020 . 1 . . . . 74 GLU H . 7276 1 1013 . 1 1 76 76 GLU HA H 1 3.818 0.020 . 1 . . . . 74 GLU HA . 7276 1 1014 . 1 1 76 76 GLU HB2 H 1 2.188 0.020 . 1 . . . . 74 GLU HB2 . 7276 1 1015 . 1 1 76 76 GLU HB3 H 1 2.188 0.020 . 1 . . . . 74 GLU HB3 . 7276 1 1016 . 1 1 76 76 GLU HG2 H 1 2.396 0.020 . 1 . . . . 74 GLU HG2 . 7276 1 1017 . 1 1 76 76 GLU HG3 H 1 2.396 0.020 . 1 . . . . 74 GLU HG3 . 7276 1 1018 . 1 1 76 76 GLU C C 13 179.180 0.400 . 1 . . . . 74 GLU C . 7276 1 1019 . 1 1 76 76 GLU CA C 13 59.673 0.400 . 1 . . . . 74 GLU CA . 7276 1 1020 . 1 1 76 76 GLU CB C 13 29.613 0.400 . 1 . . . . 74 GLU CB . 7276 1 1021 . 1 1 76 76 GLU CG C 13 36.584 0.400 . 1 . . . . 74 GLU CG . 7276 1 1022 . 1 1 76 76 GLU CD C 13 183.585 0.400 . 1 . . . . 74 GLU CD . 7276 1 1023 . 1 1 76 76 GLU N N 15 118.120 0.400 . 1 . . . . 74 GLU N . 7276 1 1024 . 1 1 77 77 ARG H H 1 7.728 0.020 . 1 . . . . 75 ARG H . 7276 1 1025 . 1 1 77 77 ARG HA H 1 3.946 0.020 . 1 . . . . 75 ARG HA . 7276 1 1026 . 1 1 77 77 ARG HB2 H 1 1.975 0.020 . 1 . . . . 75 ARG HB2 . 7276 1 1027 . 1 1 77 77 ARG HB3 H 1 1.975 0.020 . 1 . . . . 75 ARG HB3 . 7276 1 1028 . 1 1 77 77 ARG HG2 H 1 1.478 0.020 . 1 . . . . 75 ARG HG2 . 7276 1 1029 . 1 1 77 77 ARG HG3 H 1 1.478 0.020 . 1 . . . . 75 ARG HG3 . 7276 1 1030 . 1 1 77 77 ARG HD2 H 1 3.240 0.020 . 1 . . . . 75 ARG HD2 . 7276 1 1031 . 1 1 77 77 ARG HD3 H 1 3.240 0.020 . 1 . . . . 75 ARG HD3 . 7276 1 1032 . 1 1 77 77 ARG C C 13 179.761 0.400 . 1 . . . . 75 ARG C . 7276 1 1033 . 1 1 77 77 ARG CA C 13 59.709 0.400 . 1 . . . . 75 ARG CA . 7276 1 1034 . 1 1 77 77 ARG CB C 13 31.184 0.400 . 1 . . . . 75 ARG CB . 7276 1 1035 . 1 1 77 77 ARG CG C 13 27.968 0.400 . 1 . . . . 75 ARG CG . 7276 1 1036 . 1 1 77 77 ARG CD C 13 43.783 0.400 . 1 . . . . 75 ARG CD . 7276 1 1037 . 1 1 77 77 ARG N N 15 117.446 0.400 . 1 . . . . 75 ARG N . 7276 1 1038 . 1 1 78 78 GLU H H 1 7.794 0.020 . 1 . . . . 76 GLU H . 7276 1 1039 . 1 1 78 78 GLU HA H 1 3.982 0.020 . 1 . . . . 76 GLU HA . 7276 1 1040 . 1 1 78 78 GLU HB2 H 1 1.729 0.020 . 1 . . . . 76 GLU HB2 . 7276 1 1041 . 1 1 78 78 GLU HB3 H 1 1.729 0.020 . 1 . . . . 76 GLU HB3 . 7276 1 1042 . 1 1 78 78 GLU HG2 H 1 2.212 0.020 . 1 . . . . 76 GLU HG2 . 7276 1 1043 . 1 1 78 78 GLU HG3 H 1 2.212 0.020 . 1 . . . . 76 GLU HG3 . 7276 1 1044 . 1 1 78 78 GLU C C 13 178.952 0.400 . 1 . . . . 76 GLU C . 7276 1 1045 . 1 1 78 78 GLU CA C 13 58.723 0.400 . 1 . . . . 76 GLU CA . 7276 1 1046 . 1 1 78 78 GLU CB C 13 29.451 0.400 . 1 . . . . 76 GLU CB . 7276 1 1047 . 1 1 78 78 GLU CG C 13 35.902 0.400 . 1 . . . . 76 GLU CG . 7276 1 1048 . 1 1 78 78 GLU CD C 13 183.887 0.400 . 1 . . . . 76 GLU CD . 7276 1 1049 . 1 1 78 78 GLU N N 15 121.004 0.400 . 1 . . . . 76 GLU N . 7276 1 1050 . 1 1 79 79 LEU H H 1 8.004 0.020 . 1 . . . . 77 LEU H . 7276 1 1051 . 1 1 79 79 LEU HA H 1 4.104 0.020 . 1 . . . . 77 LEU HA . 7276 1 1052 . 1 1 79 79 LEU HB2 H 1 1.601 0.020 . 1 . . . . 77 LEU HB2 . 7276 1 1053 . 1 1 79 79 LEU HB3 H 1 1.601 0.020 . 1 . . . . 77 LEU HB3 . 7276 1 1054 . 1 1 79 79 LEU HG H 1 1.182 0.020 . 1 . . . . 77 LEU HG . 7276 1 1055 . 1 1 79 79 LEU HD11 H 1 0.760 0.020 . 2 . . . . 77 LEU HD1 . 7276 1 1056 . 1 1 79 79 LEU HD12 H 1 0.760 0.020 . 2 . . . . 77 LEU HD1 . 7276 1 1057 . 1 1 79 79 LEU HD13 H 1 0.760 0.020 . 2 . . . . 77 LEU HD1 . 7276 1 1058 . 1 1 79 79 LEU HD21 H 1 0.760 0.020 . 2 . . . . 77 LEU HD2 . 7276 1 1059 . 1 1 79 79 LEU HD22 H 1 0.760 0.020 . 2 . . . . 77 LEU HD2 . 7276 1 1060 . 1 1 79 79 LEU HD23 H 1 0.760 0.020 . 2 . . . . 77 LEU HD2 . 7276 1 1061 . 1 1 79 79 LEU C C 13 178.428 0.400 . 1 . . . . 77 LEU C . 7276 1 1062 . 1 1 79 79 LEU CA C 13 56.868 0.400 . 1 . . . . 77 LEU CA . 7276 1 1063 . 1 1 79 79 LEU CB C 13 42.403 0.400 . 1 . . . . 77 LEU CB . 7276 1 1064 . 1 1 79 79 LEU CG C 13 28.193 0.400 . 1 . . . . 77 LEU CG . 7276 1 1065 . 1 1 79 79 LEU CD1 C 13 25.341 0.400 . 1 . . . . 77 LEU CD1 . 7276 1 1066 . 1 1 79 79 LEU CD2 C 13 25.341 0.400 . 1 . . . . 77 LEU CD2 . 7276 1 1067 . 1 1 79 79 LEU N N 15 115.589 0.400 . 1 . . . . 77 LEU N . 7276 1 1068 . 1 1 80 80 LYS H H 1 7.352 0.020 . 1 . . . . 78 LYS H . 7276 1 1069 . 1 1 80 80 LYS HA H 1 4.228 0.020 . 1 . . . . 78 LYS HA . 7276 1 1070 . 1 1 80 80 LYS HB2 H 1 1.938 0.020 . 1 . . . . 78 LYS HB2 . 7276 1 1071 . 1 1 80 80 LYS HB3 H 1 1.938 0.020 . 1 . . . . 78 LYS HB3 . 7276 1 1072 . 1 1 80 80 LYS HG2 H 1 1.533 0.020 . 1 . . . . 78 LYS HG2 . 7276 1 1073 . 1 1 80 80 LYS HG3 H 1 1.533 0.020 . 1 . . . . 78 LYS HG3 . 7276 1 1074 . 1 1 80 80 LYS HD2 H 1 1.722 0.020 . 1 . . . . 78 LYS HD2 . 7276 1 1075 . 1 1 80 80 LYS HD3 H 1 1.722 0.020 . 1 . . . . 78 LYS HD3 . 7276 1 1076 . 1 1 80 80 LYS HE2 H 1 2.996 0.020 . 1 . . . . 78 LYS HE2 . 7276 1 1077 . 1 1 80 80 LYS HE3 H 1 2.996 0.020 . 1 . . . . 78 LYS HE3 . 7276 1 1078 . 1 1 80 80 LYS C C 13 178.210 0.400 . 1 . . . . 78 LYS C . 7276 1 1079 . 1 1 80 80 LYS CA C 13 57.281 0.400 . 1 . . . . 78 LYS CA . 7276 1 1080 . 1 1 80 80 LYS CB C 13 32.735 0.400 . 1 . . . . 78 LYS CB . 7276 1 1081 . 1 1 80 80 LYS CG C 13 25.313 0.400 . 1 . . . . 78 LYS CG . 7276 1 1082 . 1 1 80 80 LYS CD C 13 29.178 0.400 . 1 . . . . 78 LYS CD . 7276 1 1083 . 1 1 80 80 LYS CE C 13 42.088 0.400 . 1 . . . . 78 LYS CE . 7276 1 1084 . 1 1 80 80 LYS N N 15 117.594 0.400 . 1 . . . . 78 LYS N . 7276 1 1085 . 1 1 81 81 ARG H H 1 7.845 0.020 . 1 . . . . 79 ARG H . 7276 1 1086 . 1 1 81 81 ARG HA H 1 4.231 0.020 . 1 . . . . 79 ARG HA . 7276 1 1087 . 1 1 81 81 ARG HB2 H 1 2.032 0.020 . 1 . . . . 79 ARG HB2 . 7276 1 1088 . 1 1 81 81 ARG HB3 H 1 2.032 0.020 . 1 . . . . 79 ARG HB3 . 7276 1 1089 . 1 1 81 81 ARG HG2 H 1 1.446 0.020 . 1 . . . . 79 ARG HG2 . 7276 1 1090 . 1 1 81 81 ARG HG3 H 1 1.446 0.020 . 1 . . . . 79 ARG HG3 . 7276 1 1091 . 1 1 81 81 ARG HD2 H 1 3.000 0.020 . 1 . . . . 79 ARG HD2 . 7276 1 1092 . 1 1 81 81 ARG HD3 H 1 3.000 0.020 . 1 . . . . 79 ARG HD3 . 7276 1 1093 . 1 1 81 81 ARG C C 13 177.779 0.400 . 1 . . . . 79 ARG C . 7276 1 1094 . 1 1 81 81 ARG CA C 13 57.721 0.400 . 1 . . . . 79 ARG CA . 7276 1 1095 . 1 1 81 81 ARG CB C 13 32.012 0.400 . 1 . . . . 79 ARG CB . 7276 1 1096 . 1 1 81 81 ARG CG C 13 25.499 0.400 . 1 . . . . 79 ARG CG . 7276 1 1097 . 1 1 81 81 ARG CD C 13 42.107 0.400 . 1 . . . . 79 ARG CD . 7276 1 1098 . 1 1 81 81 ARG N N 15 119.646 0.400 . 1 . . . . 79 ARG N . 7276 1 1099 . 1 1 82 82 THR H H 1 8.689 0.020 . 1 . . . . 80 THR H . 7276 1 1100 . 1 1 82 82 THR HA H 1 4.481 0.020 . 1 . . . . 80 THR HA . 7276 1 1101 . 1 1 82 82 THR HB H 1 4.582 0.020 . 1 . . . . 80 THR HB . 7276 1 1102 . 1 1 82 82 THR HG21 H 1 1.280 0.020 . 1 . . . . 80 THR HG2 . 7276 1 1103 . 1 1 82 82 THR HG22 H 1 1.280 0.020 . 1 . . . . 80 THR HG2 . 7276 1 1104 . 1 1 82 82 THR HG23 H 1 1.280 0.020 . 1 . . . . 80 THR HG2 . 7276 1 1105 . 1 1 82 82 THR C C 13 175.497 0.400 . 1 . . . . 80 THR C . 7276 1 1106 . 1 1 82 82 THR CA C 13 61.571 0.400 . 1 . . . . 80 THR CA . 7276 1 1107 . 1 1 82 82 THR CB C 13 69.049 0.400 . 1 . . . . 80 THR CB . 7276 1 1108 . 1 1 82 82 THR CG2 C 13 21.646 0.400 . 1 . . . . 80 THR CG2 . 7276 1 1109 . 1 1 82 82 THR N N 15 109.116 0.400 . 1 . . . . 80 THR N . 7276 1 1110 . 1 1 83 83 ASP H H 1 8.630 0.020 . 1 . . . . 81 ASP H . 7276 1 1111 . 1 1 83 83 ASP HA H 1 4.754 0.020 . 1 . . . . 81 ASP HA . 7276 1 1112 . 1 1 83 83 ASP HB2 H 1 3.029 0.020 . 2 . . . . 81 ASP HB2 . 7276 1 1113 . 1 1 83 83 ASP HB3 H 1 2.540 0.020 . 2 . . . . 81 ASP HB3 . 7276 1 1114 . 1 1 83 83 ASP C C 13 176.331 0.400 . 1 . . . . 81 ASP C . 7276 1 1115 . 1 1 83 83 ASP CA C 13 53.242 0.400 . 1 . . . . 81 ASP CA . 7276 1 1116 . 1 1 83 83 ASP CB C 13 40.340 0.400 . 1 . . . . 81 ASP CB . 7276 1 1117 . 1 1 83 83 ASP CG C 13 178.731 0.400 . 1 . . . . 81 ASP CG . 7276 1 1118 . 1 1 83 83 ASP N N 15 120.162 0.400 . 1 . . . . 81 ASP N . 7276 1 1119 . 1 1 84 84 LEU H H 1 7.102 0.020 . 1 . . . . 82 LEU H . 7276 1 1120 . 1 1 84 84 LEU HA H 1 4.493 0.020 . 1 . . . . 82 LEU HA . 7276 1 1121 . 1 1 84 84 LEU HB2 H 1 1.705 0.020 . 1 . . . . 82 LEU HB2 . 7276 1 1122 . 1 1 84 84 LEU HB3 H 1 1.705 0.020 . 1 . . . . 82 LEU HB3 . 7276 1 1123 . 1 1 84 84 LEU HG H 1 1.559 0.020 . 1 . . . . 82 LEU HG . 7276 1 1124 . 1 1 84 84 LEU HD11 H 1 0.926 0.020 . 2 . . . . 82 LEU HD1 . 7276 1 1125 . 1 1 84 84 LEU HD12 H 1 0.926 0.020 . 2 . . . . 82 LEU HD1 . 7276 1 1126 . 1 1 84 84 LEU HD13 H 1 0.926 0.020 . 2 . . . . 82 LEU HD1 . 7276 1 1127 . 1 1 84 84 LEU HD21 H 1 0.926 0.020 . 2 . . . . 82 LEU HD2 . 7276 1 1128 . 1 1 84 84 LEU HD22 H 1 0.926 0.020 . 2 . . . . 82 LEU HD2 . 7276 1 1129 . 1 1 84 84 LEU HD23 H 1 0.926 0.020 . 2 . . . . 82 LEU HD2 . 7276 1 1130 . 1 1 84 84 LEU C C 13 178.415 0.400 . 1 . . . . 82 LEU C . 7276 1 1131 . 1 1 84 84 LEU CA C 13 54.479 0.400 . 1 . . . . 82 LEU CA . 7276 1 1132 . 1 1 84 84 LEU CB C 13 43.014 0.400 . 1 . . . . 82 LEU CB . 7276 1 1133 . 1 1 84 84 LEU CG C 13 26.573 0.400 . 1 . . . . 82 LEU CG . 7276 1 1134 . 1 1 84 84 LEU CD1 C 13 22.851 0.400 . 1 . . . . 82 LEU CD1 . 7276 1 1135 . 1 1 84 84 LEU CD2 C 13 22.851 0.400 . 1 . . . . 82 LEU CD2 . 7276 1 1136 . 1 1 84 84 LEU N N 15 118.527 0.400 . 1 . . . . 82 LEU N . 7276 1 1137 . 1 1 85 85 ASN H H 1 9.477 0.020 . 1 . . . . 83 ASN H . 7276 1 1138 . 1 1 85 85 ASN HA H 1 4.789 0.020 . 1 . . . . 83 ASN HA . 7276 1 1139 . 1 1 85 85 ASN HB2 H 1 3.235 0.020 . 2 . . . . 83 ASN HB2 . 7276 1 1140 . 1 1 85 85 ASN HB3 H 1 2.853 0.020 . 2 . . . . 83 ASN HB3 . 7276 1 1141 . 1 1 85 85 ASN HD21 H 1 7.681 0.020 . 2 . . . . 83 ASN HD21 . 7276 1 1142 . 1 1 85 85 ASN HD22 H 1 7.082 0.020 . 2 . . . . 83 ASN HD22 . 7276 1 1143 . 1 1 85 85 ASN C C 13 175.907 0.400 . 1 . . . . 83 ASN C . 7276 1 1144 . 1 1 85 85 ASN CA C 13 52.925 0.400 . 1 . . . . 83 ASN CA . 7276 1 1145 . 1 1 85 85 ASN CB C 13 38.882 0.400 . 1 . . . . 83 ASN CB . 7276 1 1146 . 1 1 85 85 ASN CG C 13 176.095 0.400 . 1 . . . . 83 ASN CG . 7276 1 1147 . 1 1 85 85 ASN N N 15 124.009 0.400 . 1 . . . . 83 ASN N . 7276 1 1148 . 1 1 85 85 ASN ND2 N 15 112.956 0.400 . 1 . . . . 83 ASN ND2 . 7276 1 1149 . 1 1 86 86 ILE H H 1 8.254 0.020 . 1 . . . . 84 ILE H . 7276 1 1150 . 1 1 86 86 ILE HA H 1 3.858 0.020 . 1 . . . . 84 ILE HA . 7276 1 1151 . 1 1 86 86 ILE HB H 1 1.846 0.020 . 1 . . . . 84 ILE HB . 7276 1 1152 . 1 1 86 86 ILE HG12 H 1 1.559 0.020 . 2 . . . . 84 ILE HG12 . 7276 1 1153 . 1 1 86 86 ILE HG13 H 1 1.250 0.020 . 2 . . . . 84 ILE HG13 . 7276 1 1154 . 1 1 86 86 ILE HG21 H 1 0.948 0.020 . 1 . . . . 84 ILE HG2 . 7276 1 1155 . 1 1 86 86 ILE HG22 H 1 0.948 0.020 . 1 . . . . 84 ILE HG2 . 7276 1 1156 . 1 1 86 86 ILE HG23 H 1 0.948 0.020 . 1 . . . . 84 ILE HG2 . 7276 1 1157 . 1 1 86 86 ILE HD11 H 1 0.920 0.020 . 1 . . . . 84 ILE HD1 . 7276 1 1158 . 1 1 86 86 ILE HD12 H 1 0.920 0.020 . 1 . . . . 84 ILE HD1 . 7276 1 1159 . 1 1 86 86 ILE HD13 H 1 0.920 0.020 . 1 . . . . 84 ILE HD1 . 7276 1 1160 . 1 1 86 86 ILE C C 13 177.659 0.400 . 1 . . . . 84 ILE C . 7276 1 1161 . 1 1 86 86 ILE CA C 13 64.710 0.400 . 1 . . . . 84 ILE CA . 7276 1 1162 . 1 1 86 86 ILE CB C 13 38.174 0.400 . 1 . . . . 84 ILE CB . 7276 1 1163 . 1 1 86 86 ILE CG1 C 13 28.475 0.400 . 1 . . . . 84 ILE CG1 . 7276 1 1164 . 1 1 86 86 ILE CG2 C 13 17.284 0.400 . 1 . . . . 84 ILE CG2 . 7276 1 1165 . 1 1 86 86 ILE CD1 C 13 13.515 0.400 . 1 . . . . 84 ILE CD1 . 7276 1 1166 . 1 1 86 86 ILE N N 15 119.021 0.400 . 1 . . . . 84 ILE N . 7276 1 1167 . 1 1 87 87 LEU H H 1 7.937 0.020 . 1 . . . . 85 LEU H . 7276 1 1168 . 1 1 87 87 LEU HA H 1 4.225 0.020 . 1 . . . . 85 LEU HA . 7276 1 1169 . 1 1 87 87 LEU HB2 H 1 1.666 0.020 . 1 . . . . 85 LEU HB2 . 7276 1 1170 . 1 1 87 87 LEU HB3 H 1 1.666 0.020 . 1 . . . . 85 LEU HB3 . 7276 1 1171 . 1 1 87 87 LEU HG H 1 1.438 0.020 . 1 . . . . 85 LEU HG . 7276 1 1172 . 1 1 87 87 LEU HD11 H 1 0.945 0.020 . 2 . . . . 85 LEU HD1 . 7276 1 1173 . 1 1 87 87 LEU HD12 H 1 0.945 0.020 . 2 . . . . 85 LEU HD1 . 7276 1 1174 . 1 1 87 87 LEU HD13 H 1 0.945 0.020 . 2 . . . . 85 LEU HD1 . 7276 1 1175 . 1 1 87 87 LEU HD21 H 1 0.945 0.020 . 2 . . . . 85 LEU HD2 . 7276 1 1176 . 1 1 87 87 LEU HD22 H 1 0.945 0.020 . 2 . . . . 85 LEU HD2 . 7276 1 1177 . 1 1 87 87 LEU HD23 H 1 0.945 0.020 . 2 . . . . 85 LEU HD2 . 7276 1 1178 . 1 1 87 87 LEU C C 13 179.151 0.400 . 1 . . . . 85 LEU C . 7276 1 1179 . 1 1 87 87 LEU CA C 13 57.606 0.400 . 1 . . . . 85 LEU CA . 7276 1 1180 . 1 1 87 87 LEU CB C 13 41.500 0.400 . 1 . . . . 85 LEU CB . 7276 1 1181 . 1 1 87 87 LEU CG C 13 27.054 0.400 . 1 . . . . 85 LEU CG . 7276 1 1182 . 1 1 87 87 LEU CD1 C 13 23.986 0.400 . 1 . . . . 85 LEU CD1 . 7276 1 1183 . 1 1 87 87 LEU CD2 C 13 23.986 0.400 . 1 . . . . 85 LEU CD2 . 7276 1 1184 . 1 1 87 87 LEU N N 15 122.532 0.400 . 1 . . . . 85 LEU N . 7276 1 1185 . 1 1 88 88 GLU H H 1 8.208 0.020 . 1 . . . . 86 GLU H . 7276 1 1186 . 1 1 88 88 GLU HA H 1 3.770 0.020 . 1 . . . . 86 GLU HA . 7276 1 1187 . 1 1 88 88 GLU HB2 H 1 2.137 0.020 . 1 . . . . 86 GLU HB2 . 7276 1 1188 . 1 1 88 88 GLU HB3 H 1 2.137 0.020 . 1 . . . . 86 GLU HB3 . 7276 1 1189 . 1 1 88 88 GLU HG2 H 1 2.321 0.020 . 1 . . . . 86 GLU HG2 . 7276 1 1190 . 1 1 88 88 GLU HG3 H 1 2.321 0.020 . 1 . . . . 86 GLU HG3 . 7276 1 1191 . 1 1 88 88 GLU C C 13 178.360 0.400 . 1 . . . . 86 GLU C . 7276 1 1192 . 1 1 88 88 GLU CA C 13 58.999 0.400 . 1 . . . . 86 GLU CA . 7276 1 1193 . 1 1 88 88 GLU CB C 13 30.448 0.400 . 1 . . . . 86 GLU CB . 7276 1 1194 . 1 1 88 88 GLU CG C 13 36.998 0.400 . 1 . . . . 86 GLU CG . 7276 1 1195 . 1 1 88 88 GLU CD C 13 183.509 0.400 . 1 . . . . 86 GLU CD . 7276 1 1196 . 1 1 88 88 GLU N N 15 120.246 0.400 . 1 . . . . 86 GLU N . 7276 1 1197 . 1 1 89 89 ARG H H 1 8.300 0.020 . 1 . . . . 87 ARG H . 7276 1 1198 . 1 1 89 89 ARG HA H 1 4.185 0.020 . 1 . . . . 87 ARG HA . 7276 1 1199 . 1 1 89 89 ARG HB2 H 1 2.144 0.020 . 1 . . . . 87 ARG HB2 . 7276 1 1200 . 1 1 89 89 ARG HB3 H 1 2.144 0.020 . 1 . . . . 87 ARG HB3 . 7276 1 1201 . 1 1 89 89 ARG HG2 H 1 1.968 0.020 . 1 . . . . 87 ARG HG2 . 7276 1 1202 . 1 1 89 89 ARG HG3 H 1 1.968 0.020 . 1 . . . . 87 ARG HG3 . 7276 1 1203 . 1 1 89 89 ARG HD2 H 1 3.266 0.020 . 1 . . . . 87 ARG HD2 . 7276 1 1204 . 1 1 89 89 ARG HD3 H 1 3.266 0.020 . 1 . . . . 87 ARG HD3 . 7276 1 1205 . 1 1 89 89 ARG C C 13 177.619 0.400 . 1 . . . . 87 ARG C . 7276 1 1206 . 1 1 89 89 ARG CA C 13 60.891 0.400 . 1 . . . . 87 ARG CA . 7276 1 1207 . 1 1 89 89 ARG CB C 13 30.854 0.400 . 1 . . . . 87 ARG CB . 7276 1 1208 . 1 1 89 89 ARG CG C 13 29.364 0.400 . 1 . . . . 87 ARG CG . 7276 1 1209 . 1 1 89 89 ARG CD C 13 43.182 0.400 . 1 . . . . 87 ARG CD . 7276 1 1210 . 1 1 89 89 ARG N N 15 117.326 0.400 . 1 . . . . 87 ARG N . 7276 1 1211 . 1 1 90 90 PHE H H 1 8.098 0.020 . 1 . . . . 88 PHE H . 7276 1 1212 . 1 1 90 90 PHE HA H 1 4.353 0.020 . 1 . . . . 88 PHE HA . 7276 1 1213 . 1 1 90 90 PHE HB2 H 1 3.276 0.020 . 1 . . . . 88 PHE HB2 . 7276 1 1214 . 1 1 90 90 PHE HB3 H 1 3.276 0.020 . 1 . . . . 88 PHE HB3 . 7276 1 1215 . 1 1 90 90 PHE HD1 H 1 7.291 0.020 . 1 . . . . 88 PHE HD1 . 7276 1 1216 . 1 1 90 90 PHE HD2 H 1 7.291 0.020 . 1 . . . . 88 PHE HD2 . 7276 1 1217 . 1 1 90 90 PHE HE1 H 1 7.326 0.020 . 1 . . . . 88 PHE HE1 . 7276 1 1218 . 1 1 90 90 PHE HE2 H 1 7.326 0.020 . 1 . . . . 88 PHE HE2 . 7276 1 1219 . 1 1 90 90 PHE HZ H 1 7.269 0.020 . 5 . . . . 88 PHE HZ . 7276 1 1220 . 1 1 90 90 PHE C C 13 177.952 0.400 . 1 . . . . 88 PHE C . 7276 1 1221 . 1 1 90 90 PHE CA C 13 61.170 0.400 . 1 . . . . 88 PHE CA . 7276 1 1222 . 1 1 90 90 PHE CB C 13 38.975 0.400 . 1 . . . . 88 PHE CB . 7276 1 1223 . 1 1 90 90 PHE CD1 C 13 131.660 0.400 . 1 . . . . 88 PHE CD1 . 7276 1 1224 . 1 1 90 90 PHE CD2 C 13 131.660 0.400 . 1 . . . . 88 PHE CD2 . 7276 1 1225 . 1 1 90 90 PHE CE1 C 13 131.637 0.400 . 1 . . . . 88 PHE CE1 . 7276 1 1226 . 1 1 90 90 PHE CE2 C 13 131.637 0.400 . 1 . . . . 88 PHE CE2 . 7276 1 1227 . 1 1 90 90 PHE CZ C 13 129.908 0.400 . 5 . . . . 88 PHE CZ . 7276 1 1228 . 1 1 90 90 PHE N N 15 118.261 0.400 . 1 . . . . 88 PHE N . 7276 1 1229 . 1 1 91 91 ASN H H 1 8.355 0.020 . 1 . . . . 89 ASN H . 7276 1 1230 . 1 1 91 91 ASN HA H 1 4.417 0.020 . 1 . . . . 89 ASN HA . 7276 1 1231 . 1 1 91 91 ASN HB2 H 1 2.838 0.020 . 2 . . . . 89 ASN HB2 . 7276 1 1232 . 1 1 91 91 ASN HB3 H 1 2.652 0.020 . 2 . . . . 89 ASN HB3 . 7276 1 1233 . 1 1 91 91 ASN HD21 H 1 6.996 0.020 . 2 . . . . 89 ASN HD21 . 7276 1 1234 . 1 1 91 91 ASN HD22 H 1 7.339 0.020 . 2 . . . . 89 ASN HD22 . 7276 1 1235 . 1 1 91 91 ASN C C 13 179.406 0.400 . 1 . . . . 89 ASN C . 7276 1 1236 . 1 1 91 91 ASN CA C 13 56.218 0.400 . 1 . . . . 89 ASN CA . 7276 1 1237 . 1 1 91 91 ASN CB C 13 37.959 0.400 . 1 . . . . 89 ASN CB . 7276 1 1238 . 1 1 91 91 ASN CG C 13 175.370 0.400 . 1 . . . . 89 ASN CG . 7276 1 1239 . 1 1 91 91 ASN N N 15 117.684 0.400 . 1 . . . . 89 ASN N . 7276 1 1240 . 1 1 91 91 ASN ND2 N 15 111.090 0.400 . 1 . . . . 89 ASN ND2 . 7276 1 1241 . 1 1 92 92 TYR H H 1 8.466 0.020 . 1 . . . . 90 TYR H . 7276 1 1242 . 1 1 92 92 TYR HA H 1 4.559 0.020 . 1 . . . . 90 TYR HA . 7276 1 1243 . 1 1 92 92 TYR HB2 H 1 3.294 0.020 . 1 . . . . 90 TYR HB2 . 7276 1 1244 . 1 1 92 92 TYR HB3 H 1 3.294 0.020 . 1 . . . . 90 TYR HB3 . 7276 1 1245 . 1 1 92 92 TYR HD1 H 1 6.906 0.020 . 1 . . . . 90 TYR HD1 . 7276 1 1246 . 1 1 92 92 TYR HD2 H 1 6.906 0.020 . 1 . . . . 90 TYR HD2 . 7276 1 1247 . 1 1 92 92 TYR HE1 H 1 6.738 0.020 . 1 . . . . 90 TYR HE1 . 7276 1 1248 . 1 1 92 92 TYR HE2 H 1 6.738 0.020 . 1 . . . . 90 TYR HE2 . 7276 1 1249 . 1 1 92 92 TYR C C 13 178.421 0.400 . 1 . . . . 90 TYR C . 7276 1 1250 . 1 1 92 92 TYR CA C 13 59.627 0.400 . 1 . . . . 90 TYR CA . 7276 1 1251 . 1 1 92 92 TYR CB C 13 37.436 0.400 . 1 . . . . 90 TYR CB . 7276 1 1252 . 1 1 92 92 TYR CD1 C 13 131.525 0.400 . 1 . . . . 90 TYR CD1 . 7276 1 1253 . 1 1 92 92 TYR CD2 C 13 131.525 0.400 . 1 . . . . 90 TYR CD2 . 7276 1 1254 . 1 1 92 92 TYR CE1 C 13 118.361 0.400 . 1 . . . . 90 TYR CE1 . 7276 1 1255 . 1 1 92 92 TYR CE2 C 13 118.361 0.400 . 1 . . . . 90 TYR CE2 . 7276 1 1256 . 1 1 92 92 TYR N N 15 120.848 0.400 . 1 . . . . 90 TYR N . 7276 1 1257 . 1 1 93 93 GLU H H 1 8.972 0.020 . 1 . . . . 91 GLU H . 7276 1 1258 . 1 1 93 93 GLU HA H 1 4.040 0.020 . 1 . . . . 91 GLU HA . 7276 1 1259 . 1 1 93 93 GLU HB2 H 1 1.915 0.020 . 1 . . . . 91 GLU HB2 . 7276 1 1260 . 1 1 93 93 GLU HB3 H 1 1.915 0.020 . 1 . . . . 91 GLU HB3 . 7276 1 1261 . 1 1 93 93 GLU HG2 H 1 2.186 0.020 . 1 . . . . 91 GLU HG2 . 7276 1 1262 . 1 1 93 93 GLU HG3 H 1 2.186 0.020 . 1 . . . . 91 GLU HG3 . 7276 1 1263 . 1 1 93 93 GLU C C 13 180.000 0.400 . 1 . . . . 91 GLU C . 7276 1 1264 . 1 1 93 93 GLU CA C 13 60.199 0.400 . 1 . . . . 91 GLU CA . 7276 1 1265 . 1 1 93 93 GLU CB C 13 29.293 0.400 . 1 . . . . 91 GLU CB . 7276 1 1266 . 1 1 93 93 GLU CG C 13 37.108 0.400 . 1 . . . . 91 GLU CG . 7276 1 1267 . 1 1 93 93 GLU CD C 13 183.434 0.400 . 1 . . . . 91 GLU CD . 7276 1 1268 . 1 1 93 93 GLU N N 15 120.875 0.400 . 1 . . . . 91 GLU N . 7276 1 1269 . 1 1 94 94 GLU H H 1 8.422 0.020 . 1 . . . . 92 GLU H . 7276 1 1270 . 1 1 94 94 GLU HA H 1 4.005 0.020 . 1 . . . . 92 GLU HA . 7276 1 1271 . 1 1 94 94 GLU HB2 H 1 1.959 0.020 . 1 . . . . 92 GLU HB2 . 7276 1 1272 . 1 1 94 94 GLU HB3 H 1 1.959 0.020 . 1 . . . . 92 GLU HB3 . 7276 1 1273 . 1 1 94 94 GLU HG2 H 1 2.317 0.020 . 1 . . . . 92 GLU HG2 . 7276 1 1274 . 1 1 94 94 GLU HG3 H 1 2.317 0.020 . 1 . . . . 92 GLU HG3 . 7276 1 1275 . 1 1 94 94 GLU C C 13 179.014 0.400 . 1 . . . . 92 GLU C . 7276 1 1276 . 1 1 94 94 GLU CA C 13 59.685 0.400 . 1 . . . . 92 GLU CA . 7276 1 1277 . 1 1 94 94 GLU CB C 13 29.597 0.400 . 1 . . . . 92 GLU CB . 7276 1 1278 . 1 1 94 94 GLU CG C 13 36.871 0.400 . 1 . . . . 92 GLU CG . 7276 1 1279 . 1 1 94 94 GLU CD C 13 183.863 0.400 . 1 . . . . 92 GLU CD . 7276 1 1280 . 1 1 94 94 GLU N N 15 120.923 0.400 . 1 . . . . 92 GLU N . 7276 1 1281 . 1 1 95 95 ALA H H 1 7.702 0.020 . 1 . . . . 93 ALA H . 7276 1 1282 . 1 1 95 95 ALA HA H 1 4.245 0.020 . 1 . . . . 93 ALA HA . 7276 1 1283 . 1 1 95 95 ALA HB1 H 1 1.542 0.020 . 1 . . . . 93 ALA HB . 7276 1 1284 . 1 1 95 95 ALA HB2 H 1 1.542 0.020 . 1 . . . . 93 ALA HB . 7276 1 1285 . 1 1 95 95 ALA HB3 H 1 1.542 0.020 . 1 . . . . 93 ALA HB . 7276 1 1286 . 1 1 95 95 ALA C C 13 179.790 0.400 . 1 . . . . 93 ALA C . 7276 1 1287 . 1 1 95 95 ALA CA C 13 55.113 0.400 . 1 . . . . 93 ALA CA . 7276 1 1288 . 1 1 95 95 ALA CB C 13 18.015 0.400 . 1 . . . . 93 ALA CB . 7276 1 1289 . 1 1 95 95 ALA N N 15 121.803 0.400 . 1 . . . . 93 ALA N . 7276 1 1290 . 1 1 96 96 GLN H H 1 8.764 0.020 . 1 . . . . 94 GLN H . 7276 1 1291 . 1 1 96 96 GLN HA H 1 3.972 0.020 . 1 . . . . 94 GLN HA . 7276 1 1292 . 1 1 96 96 GLN HB2 H 1 2.021 0.020 . 1 . . . . 94 GLN HB2 . 7276 1 1293 . 1 1 96 96 GLN HB3 H 1 2.021 0.020 . 1 . . . . 94 GLN HB3 . 7276 1 1294 . 1 1 96 96 GLN HG2 H 1 2.433 0.020 . 1 . . . . 94 GLN HG2 . 7276 1 1295 . 1 1 96 96 GLN HG3 H 1 2.433 0.020 . 1 . . . . 94 GLN HG3 . 7276 1 1296 . 1 1 96 96 GLN HE21 H 1 7.467 0.020 . 2 . . . . 94 GLN HE21 . 7276 1 1297 . 1 1 96 96 GLN HE22 H 1 6.671 0.020 . 2 . . . . 94 GLN HE22 . 7276 1 1298 . 1 1 96 96 GLN C C 13 178.990 0.400 . 1 . . . . 94 GLN C . 7276 1 1299 . 1 1 96 96 GLN CA C 13 59.676 0.400 . 1 . . . . 94 GLN CA . 7276 1 1300 . 1 1 96 96 GLN CB C 13 30.193 0.400 . 1 . . . . 94 GLN CB . 7276 1 1301 . 1 1 96 96 GLN CG C 13 34.309 0.400 . 1 . . . . 94 GLN CG . 7276 1 1302 . 1 1 96 96 GLN CD C 13 178.729 0.400 . 1 . . . . 94 GLN CD . 7276 1 1303 . 1 1 96 96 GLN N N 15 120.705 0.400 . 1 . . . . 94 GLN N . 7276 1 1304 . 1 1 96 96 GLN NE2 N 15 109.785 0.400 . 1 . . . . 94 GLN NE2 . 7276 1 1305 . 1 1 97 97 THR H H 1 8.724 0.020 . 1 . . . . 95 THR H . 7276 1 1306 . 1 1 97 97 THR HA H 1 4.416 0.020 . 1 . . . . 95 THR HA . 7276 1 1307 . 1 1 97 97 THR HB H 1 3.838 0.020 . 1 . . . . 95 THR HB . 7276 1 1308 . 1 1 97 97 THR HG21 H 1 1.267 0.020 . 1 . . . . 95 THR HG2 . 7276 1 1309 . 1 1 97 97 THR HG22 H 1 1.267 0.020 . 1 . . . . 95 THR HG2 . 7276 1 1310 . 1 1 97 97 THR HG23 H 1 1.267 0.020 . 1 . . . . 95 THR HG2 . 7276 1 1311 . 1 1 97 97 THR C C 13 176.359 0.400 . 1 . . . . 95 THR C . 7276 1 1312 . 1 1 97 97 THR CA C 13 68.447 0.400 . 1 . . . . 95 THR CA . 7276 1 1313 . 1 1 97 97 THR CB C 13 67.077 0.400 . 1 . . . . 95 THR CB . 7276 1 1314 . 1 1 97 97 THR CG2 C 13 21.796 0.400 . 1 . . . . 95 THR CG2 . 7276 1 1315 . 1 1 97 97 THR N N 15 119.971 0.400 . 1 . . . . 95 THR N . 7276 1 1316 . 1 1 98 98 LEU H H 1 8.154 0.020 . 1 . . . . 96 LEU H . 7276 1 1317 . 1 1 98 98 LEU HA H 1 4.125 0.020 . 1 . . . . 96 LEU HA . 7276 1 1318 . 1 1 98 98 LEU HB2 H 1 1.924 0.020 . 1 . . . . 96 LEU HB2 . 7276 1 1319 . 1 1 98 98 LEU HB3 H 1 1.924 0.020 . 1 . . . . 96 LEU HB3 . 7276 1 1320 . 1 1 98 98 LEU HG H 1 1.649 0.020 . 1 . . . . 96 LEU HG . 7276 1 1321 . 1 1 98 98 LEU HD11 H 1 0.947 0.020 . 2 . . . . 96 LEU HD1 . 7276 1 1322 . 1 1 98 98 LEU HD12 H 1 0.947 0.020 . 2 . . . . 96 LEU HD1 . 7276 1 1323 . 1 1 98 98 LEU HD13 H 1 0.947 0.020 . 2 . . . . 96 LEU HD1 . 7276 1 1324 . 1 1 98 98 LEU HD21 H 1 0.947 0.020 . 2 . . . . 96 LEU HD2 . 7276 1 1325 . 1 1 98 98 LEU HD22 H 1 0.947 0.020 . 2 . . . . 96 LEU HD2 . 7276 1 1326 . 1 1 98 98 LEU HD23 H 1 0.947 0.020 . 2 . . . . 96 LEU HD2 . 7276 1 1327 . 1 1 98 98 LEU C C 13 180.271 0.400 . 1 . . . . 96 LEU C . 7276 1 1328 . 1 1 98 98 LEU CA C 13 58.232 0.400 . 1 . . . . 96 LEU CA . 7276 1 1329 . 1 1 98 98 LEU CB C 13 41.856 0.400 . 1 . . . . 96 LEU CB . 7276 1 1330 . 1 1 98 98 LEU CG C 13 27.223 0.400 . 1 . . . . 96 LEU CG . 7276 1 1331 . 1 1 98 98 LEU CD1 C 13 24.465 0.400 . 1 . . . . 96 LEU CD1 . 7276 1 1332 . 1 1 98 98 LEU CD2 C 13 24.465 0.400 . 1 . . . . 96 LEU CD2 . 7276 1 1333 . 1 1 98 98 LEU N N 15 121.275 0.400 . 1 . . . . 96 LEU N . 7276 1 1334 . 1 1 99 99 SER H H 1 8.608 0.020 . 1 . . . . 97 SER H . 7276 1 1335 . 1 1 99 99 SER HA H 1 3.990 0.020 . 1 . . . . 97 SER HA . 7276 1 1336 . 1 1 99 99 SER HB2 H 1 3.849 0.020 . 1 . . . . 97 SER HB2 . 7276 1 1337 . 1 1 99 99 SER HB3 H 1 3.849 0.020 . 1 . . . . 97 SER HB3 . 7276 1 1338 . 1 1 99 99 SER C C 13 175.037 0.400 . 1 . . . . 97 SER C . 7276 1 1339 . 1 1 99 99 SER CA C 13 62.880 0.400 . 1 . . . . 97 SER CA . 7276 1 1340 . 1 1 99 99 SER CB C 13 61.605 0.400 . 1 . . . . 97 SER CB . 7276 1 1341 . 1 1 99 99 SER N N 15 115.851 0.400 . 1 . . . . 97 SER N . 7276 1 1342 . 1 1 100 100 LYS H H 1 7.798 0.020 . 1 . . . . 98 LYS H . 7276 1 1343 . 1 1 100 100 LYS HA H 1 4.012 0.020 . 1 . . . . 98 LYS HA . 7276 1 1344 . 1 1 100 100 LYS HB2 H 1 2.027 0.020 . 1 . . . . 98 LYS HB2 . 7276 1 1345 . 1 1 100 100 LYS HB3 H 1 2.027 0.020 . 1 . . . . 98 LYS HB3 . 7276 1 1346 . 1 1 100 100 LYS HG2 H 1 1.709 0.020 . 1 . . . . 98 LYS HG2 . 7276 1 1347 . 1 1 100 100 LYS HG3 H 1 1.709 0.020 . 1 . . . . 98 LYS HG3 . 7276 1 1348 . 1 1 100 100 LYS HD2 H 1 1.948 0.020 . 1 . . . . 98 LYS HD2 . 7276 1 1349 . 1 1 100 100 LYS HD3 H 1 1.948 0.020 . 1 . . . . 98 LYS HD3 . 7276 1 1350 . 1 1 100 100 LYS HE2 H 1 2.985 0.020 . 1 . . . . 98 LYS HE2 . 7276 1 1351 . 1 1 100 100 LYS HE3 H 1 2.985 0.020 . 1 . . . . 98 LYS HE3 . 7276 1 1352 . 1 1 100 100 LYS C C 13 180.028 0.400 . 1 . . . . 98 LYS C . 7276 1 1353 . 1 1 100 100 LYS CA C 13 60.040 0.400 . 1 . . . . 98 LYS CA . 7276 1 1354 . 1 1 100 100 LYS CB C 13 32.619 0.400 . 1 . . . . 98 LYS CB . 7276 1 1355 . 1 1 100 100 LYS CG C 13 26.209 0.400 . 1 . . . . 98 LYS CG . 7276 1 1356 . 1 1 100 100 LYS CD C 13 29.683 0.400 . 1 . . . . 98 LYS CD . 7276 1 1357 . 1 1 100 100 LYS CE C 13 41.868 0.400 . 1 . . . . 98 LYS CE . 7276 1 1358 . 1 1 100 100 LYS N N 15 122.557 0.400 . 1 . . . . 98 LYS N . 7276 1 1359 . 1 1 101 101 ILE H H 1 7.840 0.020 . 1 . . . . 99 ILE H . 7276 1 1360 . 1 1 101 101 ILE HA H 1 3.676 0.020 . 1 . . . . 99 ILE HA . 7276 1 1361 . 1 1 101 101 ILE HB H 1 1.954 0.020 . 1 . . . . 99 ILE HB . 7276 1 1362 . 1 1 101 101 ILE HG12 H 1 1.808 0.020 . 2 . . . . 99 ILE HG12 . 7276 1 1363 . 1 1 101 101 ILE HG13 H 1 1.145 0.020 . 2 . . . . 99 ILE HG13 . 7276 1 1364 . 1 1 101 101 ILE HG21 H 1 0.960 0.020 . 1 . . . . 99 ILE HG2 . 7276 1 1365 . 1 1 101 101 ILE HG22 H 1 0.960 0.020 . 1 . . . . 99 ILE HG2 . 7276 1 1366 . 1 1 101 101 ILE HG23 H 1 0.960 0.020 . 1 . . . . 99 ILE HG2 . 7276 1 1367 . 1 1 101 101 ILE HD11 H 1 0.876 0.020 . 1 . . . . 99 ILE HD1 . 7276 1 1368 . 1 1 101 101 ILE HD12 H 1 0.876 0.020 . 1 . . . . 99 ILE HD1 . 7276 1 1369 . 1 1 101 101 ILE HD13 H 1 0.876 0.020 . 1 . . . . 99 ILE HD1 . 7276 1 1370 . 1 1 101 101 ILE C C 13 177.729 0.400 . 1 . . . . 99 ILE C . 7276 1 1371 . 1 1 101 101 ILE CA C 13 65.423 0.400 . 1 . . . . 99 ILE CA . 7276 1 1372 . 1 1 101 101 ILE CB C 13 38.660 0.400 . 1 . . . . 99 ILE CB . 7276 1 1373 . 1 1 101 101 ILE CG1 C 13 29.250 0.400 . 1 . . . . 99 ILE CG1 . 7276 1 1374 . 1 1 101 101 ILE CG2 C 13 17.364 0.400 . 1 . . . . 99 ILE CG2 . 7276 1 1375 . 1 1 101 101 ILE CD1 C 13 13.596 0.400 . 1 . . . . 99 ILE CD1 . 7276 1 1376 . 1 1 101 101 ILE N N 15 122.504 0.400 . 1 . . . . 99 ILE N . 7276 1 1377 . 1 1 102 102 LEU H H 1 7.977 0.020 . 1 . . . . 100 LEU H . 7276 1 1378 . 1 1 102 102 LEU HA H 1 4.306 0.020 . 1 . . . . 100 LEU HA . 7276 1 1379 . 1 1 102 102 LEU HB2 H 1 1.825 0.020 . 1 . . . . 100 LEU HB2 . 7276 1 1380 . 1 1 102 102 LEU HB3 H 1 1.825 0.020 . 1 . . . . 100 LEU HB3 . 7276 1 1381 . 1 1 102 102 LEU HG H 1 1.685 0.020 . 1 . . . . 100 LEU HG . 7276 1 1382 . 1 1 102 102 LEU HD11 H 1 0.954 0.020 . 2 . . . . 100 LEU HD1 . 7276 1 1383 . 1 1 102 102 LEU HD12 H 1 0.954 0.020 . 2 . . . . 100 LEU HD1 . 7276 1 1384 . 1 1 102 102 LEU HD13 H 1 0.954 0.020 . 2 . . . . 100 LEU HD1 . 7276 1 1385 . 1 1 102 102 LEU HD21 H 1 0.954 0.020 . 2 . . . . 100 LEU HD2 . 7276 1 1386 . 1 1 102 102 LEU HD22 H 1 0.954 0.020 . 2 . . . . 100 LEU HD2 . 7276 1 1387 . 1 1 102 102 LEU HD23 H 1 0.954 0.020 . 2 . . . . 100 LEU HD2 . 7276 1 1388 . 1 1 102 102 LEU C C 13 179.032 0.400 . 1 . . . . 100 LEU C . 7276 1 1389 . 1 1 102 102 LEU CA C 13 57.884 0.400 . 1 . . . . 100 LEU CA . 7276 1 1390 . 1 1 102 102 LEU CB C 13 42.169 0.400 . 1 . . . . 100 LEU CB . 7276 1 1391 . 1 1 102 102 LEU CG C 13 27.460 0.400 . 1 . . . . 100 LEU CG . 7276 1 1392 . 1 1 102 102 LEU CD1 C 13 24.834 0.400 . 1 . . . . 100 LEU CD1 . 7276 1 1393 . 1 1 102 102 LEU CD2 C 13 24.834 0.400 . 1 . . . . 100 LEU CD2 . 7276 1 1394 . 1 1 102 102 LEU N N 15 120.384 0.400 . 1 . . . . 100 LEU N . 7276 1 1395 . 1 1 103 103 LEU H H 1 8.383 0.020 . 1 . . . . 101 LEU H . 7276 1 1396 . 1 1 103 103 LEU HA H 1 4.141 0.020 . 1 . . . . 101 LEU HA . 7276 1 1397 . 1 1 103 103 LEU HB2 H 1 1.802 0.020 . 1 . . . . 101 LEU HB2 . 7276 1 1398 . 1 1 103 103 LEU HB3 H 1 1.802 0.020 . 1 . . . . 101 LEU HB3 . 7276 1 1399 . 1 1 103 103 LEU HG H 1 1.717 0.020 . 1 . . . . 101 LEU HG . 7276 1 1400 . 1 1 103 103 LEU HD11 H 1 0.963 0.020 . 2 . . . . 101 LEU HD1 . 7276 1 1401 . 1 1 103 103 LEU HD12 H 1 0.963 0.020 . 2 . . . . 101 LEU HD1 . 7276 1 1402 . 1 1 103 103 LEU HD13 H 1 0.963 0.020 . 2 . . . . 101 LEU HD1 . 7276 1 1403 . 1 1 103 103 LEU HD21 H 1 0.963 0.020 . 2 . . . . 101 LEU HD2 . 7276 1 1404 . 1 1 103 103 LEU HD22 H 1 0.963 0.020 . 2 . . . . 101 LEU HD2 . 7276 1 1405 . 1 1 103 103 LEU HD23 H 1 0.963 0.020 . 2 . . . . 101 LEU HD2 . 7276 1 1406 . 1 1 103 103 LEU C C 13 178.667 0.400 . 1 . . . . 101 LEU C . 7276 1 1407 . 1 1 103 103 LEU CA C 13 58.233 0.400 . 1 . . . . 101 LEU CA . 7276 1 1408 . 1 1 103 103 LEU CB C 13 41.815 0.400 . 1 . . . . 101 LEU CB . 7276 1 1409 . 1 1 103 103 LEU CG C 13 27.421 0.400 . 1 . . . . 101 LEU CG . 7276 1 1410 . 1 1 103 103 LEU CD1 C 13 24.977 0.400 . 1 . . . . 101 LEU CD1 . 7276 1 1411 . 1 1 103 103 LEU CD2 C 13 24.977 0.400 . 1 . . . . 101 LEU CD2 . 7276 1 1412 . 1 1 103 103 LEU N N 15 118.124 0.400 . 1 . . . . 101 LEU N . 7276 1 1413 . 1 1 104 104 LYS H H 1 7.728 0.020 . 1 . . . . 102 LYS H . 7276 1 1414 . 1 1 104 104 LYS HA H 1 4.077 0.020 . 1 . . . . 102 LYS HA . 7276 1 1415 . 1 1 104 104 LYS HB2 H 1 2.149 0.020 . 2 . . . . 102 LYS HB2 . 7276 1 1416 . 1 1 104 104 LYS HB3 H 1 1.954 0.020 . 2 . . . . 102 LYS HB3 . 7276 1 1417 . 1 1 104 104 LYS HG2 H 1 1.473 0.020 . 1 . . . . 102 LYS HG2 . 7276 1 1418 . 1 1 104 104 LYS HG3 H 1 1.473 0.020 . 1 . . . . 102 LYS HG3 . 7276 1 1419 . 1 1 104 104 LYS HD2 H 1 1.701 0.020 . 1 . . . . 102 LYS HD2 . 7276 1 1420 . 1 1 104 104 LYS HD3 H 1 1.701 0.020 . 1 . . . . 102 LYS HD3 . 7276 1 1421 . 1 1 104 104 LYS HE2 H 1 2.993 0.020 . 1 . . . . 102 LYS HE2 . 7276 1 1422 . 1 1 104 104 LYS HE3 H 1 2.993 0.020 . 1 . . . . 102 LYS HE3 . 7276 1 1423 . 1 1 104 104 LYS C C 13 179.451 0.400 . 1 . . . . 102 LYS C . 7276 1 1424 . 1 1 104 104 LYS CA C 13 59.951 0.400 . 1 . . . . 102 LYS CA . 7276 1 1425 . 1 1 104 104 LYS CB C 13 31.808 0.400 . 1 . . . . 102 LYS CB . 7276 1 1426 . 1 1 104 104 LYS CG C 13 24.306 0.400 . 1 . . . . 102 LYS CG . 7276 1 1427 . 1 1 104 104 LYS CD C 13 29.100 0.400 . 1 . . . . 102 LYS CD . 7276 1 1428 . 1 1 104 104 LYS CE C 13 41.940 0.400 . 1 . . . . 102 LYS CE . 7276 1 1429 . 1 1 104 104 LYS N N 15 119.924 0.400 . 1 . . . . 102 LYS N . 7276 1 1430 . 1 1 105 105 ASP H H 1 8.236 0.020 . 1 . . . . 103 ASP H . 7276 1 1431 . 1 1 105 105 ASP HA H 1 4.547 0.020 . 1 . . . . 103 ASP HA . 7276 1 1432 . 1 1 105 105 ASP HB2 H 1 2.877 0.020 . 2 . . . . 103 ASP HB2 . 7276 1 1433 . 1 1 105 105 ASP HB3 H 1 2.630 0.020 . 2 . . . . 103 ASP HB3 . 7276 1 1434 . 1 1 105 105 ASP C C 13 180.870 0.400 . 1 . . . . 103 ASP C . 7276 1 1435 . 1 1 105 105 ASP CA C 13 57.684 0.400 . 1 . . . . 103 ASP CA . 7276 1 1436 . 1 1 105 105 ASP CB C 13 40.717 0.400 . 1 . . . . 103 ASP CB . 7276 1 1437 . 1 1 105 105 ASP CG C 13 178.214 0.400 . 1 . . . . 103 ASP CG . 7276 1 1438 . 1 1 105 105 ASP N N 15 121.533 0.400 . 1 . . . . 103 ASP N . 7276 1 1439 . 1 1 106 106 LEU H H 1 9.222 0.020 . 1 . . . . 104 LEU H . 7276 1 1440 . 1 1 106 106 LEU HA H 1 3.864 0.020 . 1 . . . . 104 LEU HA . 7276 1 1441 . 1 1 106 106 LEU HB2 H 1 2.164 0.020 . 1 . . . . 104 LEU HB2 . 7276 1 1442 . 1 1 106 106 LEU HB3 H 1 2.164 0.020 . 1 . . . . 104 LEU HB3 . 7276 1 1443 . 1 1 106 106 LEU HG H 1 1.436 0.020 . 1 . . . . 104 LEU HG . 7276 1 1444 . 1 1 106 106 LEU HD11 H 1 0.950 0.020 . 2 . . . . 104 LEU HD1 . 7276 1 1445 . 1 1 106 106 LEU HD12 H 1 0.950 0.020 . 2 . . . . 104 LEU HD1 . 7276 1 1446 . 1 1 106 106 LEU HD13 H 1 0.950 0.020 . 2 . . . . 104 LEU HD1 . 7276 1 1447 . 1 1 106 106 LEU HD21 H 1 0.950 0.020 . 2 . . . . 104 LEU HD2 . 7276 1 1448 . 1 1 106 106 LEU HD22 H 1 0.950 0.020 . 2 . . . . 104 LEU HD2 . 7276 1 1449 . 1 1 106 106 LEU HD23 H 1 0.950 0.020 . 2 . . . . 104 LEU HD2 . 7276 1 1450 . 1 1 106 106 LEU C C 13 178.997 0.400 . 1 . . . . 104 LEU C . 7276 1 1451 . 1 1 106 106 LEU CA C 13 59.177 0.400 . 1 . . . . 104 LEU CA . 7276 1 1452 . 1 1 106 106 LEU CB C 13 42.580 0.400 . 1 . . . . 104 LEU CB . 7276 1 1453 . 1 1 106 106 LEU CG C 13 27.266 0.400 . 1 . . . . 104 LEU CG . 7276 1 1454 . 1 1 106 106 LEU CD1 C 13 24.366 0.400 . 1 . . . . 104 LEU CD1 . 7276 1 1455 . 1 1 106 106 LEU CD2 C 13 24.366 0.400 . 1 . . . . 104 LEU CD2 . 7276 1 1456 . 1 1 106 106 LEU N N 15 125.108 0.400 . 1 . . . . 104 LEU N . 7276 1 1457 . 1 1 107 107 LYS H H 1 8.620 0.020 . 1 . . . . 105 LYS H . 7276 1 1458 . 1 1 107 107 LYS HA H 1 4.349 0.020 . 1 . . . . 105 LYS HA . 7276 1 1459 . 1 1 107 107 LYS HB2 H 1 2.135 0.020 . 1 . . . . 105 LYS HB2 . 7276 1 1460 . 1 1 107 107 LYS HB3 H 1 2.135 0.020 . 1 . . . . 105 LYS HB3 . 7276 1 1461 . 1 1 107 107 LYS HG2 H 1 1.634 0.020 . 1 . . . . 105 LYS HG2 . 7276 1 1462 . 1 1 107 107 LYS HG3 H 1 1.634 0.020 . 1 . . . . 105 LYS HG3 . 7276 1 1463 . 1 1 107 107 LYS HD2 H 1 1.890 0.020 . 1 . . . . 105 LYS HD2 . 7276 1 1464 . 1 1 107 107 LYS HD3 H 1 1.890 0.020 . 1 . . . . 105 LYS HD3 . 7276 1 1465 . 1 1 107 107 LYS HE2 H 1 3.268 0.020 . 1 . . . . 105 LYS HE2 . 7276 1 1466 . 1 1 107 107 LYS HE3 H 1 3.268 0.020 . 1 . . . . 105 LYS HE3 . 7276 1 1467 . 1 1 107 107 LYS C C 13 180.467 0.400 . 1 . . . . 105 LYS C . 7276 1 1468 . 1 1 107 107 LYS CA C 13 58.367 0.400 . 1 . . . . 105 LYS CA . 7276 1 1469 . 1 1 107 107 LYS CB C 13 31.422 0.400 . 1 . . . . 105 LYS CB . 7276 1 1470 . 1 1 107 107 LYS CG C 13 24.914 0.400 . 1 . . . . 105 LYS CG . 7276 1 1471 . 1 1 107 107 LYS CD C 13 30.885 0.400 . 1 . . . . 105 LYS CD . 7276 1 1472 . 1 1 107 107 LYS CE C 13 43.782 0.400 . 1 . . . . 105 LYS CE . 7276 1 1473 . 1 1 107 107 LYS N N 15 119.758 0.400 . 1 . . . . 105 LYS N . 7276 1 1474 . 1 1 108 108 GLU H H 1 8.450 0.020 . 1 . . . . 106 GLU H . 7276 1 1475 . 1 1 108 108 GLU HA H 1 4.171 0.020 . 1 . . . . 106 GLU HA . 7276 1 1476 . 1 1 108 108 GLU HB2 H 1 2.257 0.020 . 1 . . . . 106 GLU HB2 . 7276 1 1477 . 1 1 108 108 GLU HB3 H 1 2.257 0.020 . 1 . . . . 106 GLU HB3 . 7276 1 1478 . 1 1 108 108 GLU HG2 H 1 2.544 0.020 . 1 . . . . 106 GLU HG2 . 7276 1 1479 . 1 1 108 108 GLU HG3 H 1 2.544 0.020 . 1 . . . . 106 GLU HG3 . 7276 1 1480 . 1 1 108 108 GLU C C 13 179.588 0.400 . 1 . . . . 106 GLU C . 7276 1 1481 . 1 1 108 108 GLU CA C 13 59.687 0.400 . 1 . . . . 106 GLU CA . 7276 1 1482 . 1 1 108 108 GLU CB C 13 29.385 0.400 . 1 . . . . 106 GLU CB . 7276 1 1483 . 1 1 108 108 GLU CG C 13 36.896 0.400 . 1 . . . . 106 GLU CG . 7276 1 1484 . 1 1 108 108 GLU CD C 13 183.828 0.400 . 1 . . . . 106 GLU CD . 7276 1 1485 . 1 1 108 108 GLU N N 15 121.953 0.400 . 1 . . . . 106 GLU N . 7276 1 1486 . 1 1 109 109 THR H H 1 8.053 0.020 . 1 . . . . 107 THR H . 7276 1 1487 . 1 1 109 109 THR HA H 1 4.454 0.020 . 1 . . . . 107 THR HA . 7276 1 1488 . 1 1 109 109 THR HB H 1 3.831 0.020 . 1 . . . . 107 THR HB . 7276 1 1489 . 1 1 109 109 THR HG21 H 1 1.116 0.020 . 1 . . . . 107 THR HG2 . 7276 1 1490 . 1 1 109 109 THR HG22 H 1 1.116 0.020 . 1 . . . . 107 THR HG2 . 7276 1 1491 . 1 1 109 109 THR HG23 H 1 1.116 0.020 . 1 . . . . 107 THR HG2 . 7276 1 1492 . 1 1 109 109 THR C C 13 175.178 0.400 . 1 . . . . 107 THR C . 7276 1 1493 . 1 1 109 109 THR CA C 13 67.990 0.400 . 1 . . . . 107 THR CA . 7276 1 1494 . 1 1 109 109 THR CB C 13 67.742 0.400 . 1 . . . . 107 THR CB . 7276 1 1495 . 1 1 109 109 THR CG2 C 13 21.124 0.400 . 1 . . . . 107 THR CG2 . 7276 1 1496 . 1 1 109 109 THR N N 15 117.794 0.400 . 1 . . . . 107 THR N . 7276 1 1497 . 1 1 110 110 GLU H H 1 8.662 0.020 . 1 . . . . 108 GLU H . 7276 1 1498 . 1 1 110 110 GLU HA H 1 3.561 0.020 . 1 . . . . 108 GLU HA . 7276 1 1499 . 1 1 110 110 GLU HB2 H 1 2.398 0.020 . 1 . . . . 108 GLU HB2 . 7276 1 1500 . 1 1 110 110 GLU HB3 H 1 2.398 0.020 . 1 . . . . 108 GLU HB3 . 7276 1 1501 . 1 1 110 110 GLU HG2 H 1 2.048 0.020 . 1 . . . . 108 GLU HG2 . 7276 1 1502 . 1 1 110 110 GLU HG3 H 1 2.048 0.020 . 1 . . . . 108 GLU HG3 . 7276 1 1503 . 1 1 110 110 GLU C C 13 177.378 0.400 . 1 . . . . 108 GLU C . 7276 1 1504 . 1 1 110 110 GLU CA C 13 60.130 0.400 . 1 . . . . 108 GLU CA . 7276 1 1505 . 1 1 110 110 GLU CB C 13 29.643 0.400 . 1 . . . . 108 GLU CB . 7276 1 1506 . 1 1 110 110 GLU CG C 13 35.925 0.400 . 1 . . . . 108 GLU CG . 7276 1 1507 . 1 1 110 110 GLU CD C 13 183.811 0.400 . 1 . . . . 108 GLU CD . 7276 1 1508 . 1 1 110 110 GLU N N 15 122.204 0.400 . 1 . . . . 108 GLU N . 7276 1 1509 . 1 1 111 111 GLN H H 1 7.759 0.020 . 1 . . . . 109 GLN H . 7276 1 1510 . 1 1 111 111 GLN HA H 1 3.869 0.020 . 1 . . . . 109 GLN HA . 7276 1 1511 . 1 1 111 111 GLN HB2 H 1 2.232 0.020 . 1 . . . . 109 GLN HB2 . 7276 1 1512 . 1 1 111 111 GLN HB3 H 1 2.232 0.020 . 1 . . . . 109 GLN HB3 . 7276 1 1513 . 1 1 111 111 GLN HG2 H 1 2.438 0.020 . 1 . . . . 109 GLN HG2 . 7276 1 1514 . 1 1 111 111 GLN HG3 H 1 2.438 0.020 . 1 . . . . 109 GLN HG3 . 7276 1 1515 . 1 1 111 111 GLN HE21 H 1 7.599 0.020 . 2 . . . . 109 GLN HE21 . 7276 1 1516 . 1 1 111 111 GLN HE22 H 1 6.929 0.020 . 2 . . . . 109 GLN HE22 . 7276 1 1517 . 1 1 111 111 GLN C C 13 177.759 0.400 . 1 . . . . 109 GLN C . 7276 1 1518 . 1 1 111 111 GLN CA C 13 58.889 0.400 . 1 . . . . 109 GLN CA . 7276 1 1519 . 1 1 111 111 GLN CB C 13 28.242 0.400 . 1 . . . . 109 GLN CB . 7276 1 1520 . 1 1 111 111 GLN CG C 13 33.623 0.400 . 1 . . . . 109 GLN CG . 7276 1 1521 . 1 1 111 111 GLN CD C 13 180.690 0.400 . 1 . . . . 109 GLN CD . 7276 1 1522 . 1 1 111 111 GLN N N 15 117.537 0.400 . 1 . . . . 109 GLN N . 7276 1 1523 . 1 1 111 111 GLN NE2 N 15 113.505 0.400 . 1 . . . . 109 GLN NE2 . 7276 1 1524 . 1 1 112 112 LYS H H 1 7.640 0.020 . 1 . . . . 110 LYS H . 7276 1 1525 . 1 1 112 112 LYS HA H 1 4.074 0.020 . 1 . . . . 110 LYS HA . 7276 1 1526 . 1 1 112 112 LYS HB2 H 1 2.073 0.020 . 1 . . . . 110 LYS HB2 . 7276 1 1527 . 1 1 112 112 LYS HB3 H 1 2.073 0.020 . 1 . . . . 110 LYS HB3 . 7276 1 1528 . 1 1 112 112 LYS HG2 H 1 1.508 0.020 . 1 . . . . 110 LYS HG2 . 7276 1 1529 . 1 1 112 112 LYS HG3 H 1 1.508 0.020 . 1 . . . . 110 LYS HG3 . 7276 1 1530 . 1 1 112 112 LYS HD2 H 1 1.917 0.020 . 1 . . . . 110 LYS HD2 . 7276 1 1531 . 1 1 112 112 LYS HD3 H 1 1.917 0.020 . 1 . . . . 110 LYS HD3 . 7276 1 1532 . 1 1 112 112 LYS HE2 H 1 2.995 0.020 . 1 . . . . 110 LYS HE2 . 7276 1 1533 . 1 1 112 112 LYS HE3 H 1 2.995 0.020 . 1 . . . . 110 LYS HE3 . 7276 1 1534 . 1 1 112 112 LYS C C 13 179.975 0.400 . 1 . . . . 110 LYS C . 7276 1 1535 . 1 1 112 112 LYS CA C 13 59.774 0.400 . 1 . . . . 110 LYS CA . 7276 1 1536 . 1 1 112 112 LYS CB C 13 33.163 0.400 . 1 . . . . 110 LYS CB . 7276 1 1537 . 1 1 112 112 LYS CG C 13 26.598 0.400 . 1 . . . . 110 LYS CG . 7276 1 1538 . 1 1 112 112 LYS CD C 13 30.006 0.400 . 1 . . . . 110 LYS CD . 7276 1 1539 . 1 1 112 112 LYS CE C 13 42.901 0.400 . 1 . . . . 110 LYS CE . 7276 1 1540 . 1 1 112 112 LYS N N 15 117.393 0.400 . 1 . . . . 110 LYS N . 7276 1 1541 . 1 1 113 113 VAL H H 1 8.278 0.020 . 1 . . . . 111 VAL H . 7276 1 1542 . 1 1 113 113 VAL HA H 1 3.538 0.020 . 1 . . . . 111 VAL HA . 7276 1 1543 . 1 1 113 113 VAL HB H 1 2.272 0.020 . 1 . . . . 111 VAL HB . 7276 1 1544 . 1 1 113 113 VAL HG11 H 1 1.088 0.020 . 2 . . . . 111 VAL HG1 . 7276 1 1545 . 1 1 113 113 VAL HG12 H 1 1.088 0.020 . 2 . . . . 111 VAL HG1 . 7276 1 1546 . 1 1 113 113 VAL HG13 H 1 1.088 0.020 . 2 . . . . 111 VAL HG1 . 7276 1 1547 . 1 1 113 113 VAL HG21 H 1 0.925 0.020 . 2 . . . . 111 VAL HG2 . 7276 1 1548 . 1 1 113 113 VAL HG22 H 1 0.925 0.020 . 2 . . . . 111 VAL HG2 . 7276 1 1549 . 1 1 113 113 VAL HG23 H 1 0.925 0.020 . 2 . . . . 111 VAL HG2 . 7276 1 1550 . 1 1 113 113 VAL C C 13 178.721 0.400 . 1 . . . . 111 VAL C . 7276 1 1551 . 1 1 113 113 VAL CA C 13 65.796 0.400 . 1 . . . . 111 VAL CA . 7276 1 1552 . 1 1 113 113 VAL CB C 13 31.938 0.400 . 1 . . . . 111 VAL CB . 7276 1 1553 . 1 1 113 113 VAL CG1 C 13 24.415 0.400 . 1 . . . . 111 VAL CG1 . 7276 1 1554 . 1 1 113 113 VAL CG2 C 13 22.703 0.400 . 1 . . . . 111 VAL CG2 . 7276 1 1555 . 1 1 113 113 VAL N N 15 118.110 0.400 . 1 . . . . 111 VAL N . 7276 1 1556 . 1 1 114 114 LYS H H 1 8.195 0.020 . 1 . . . . 112 LYS H . 7276 1 1557 . 1 1 114 114 LYS HA H 1 3.870 0.020 . 1 . . . . 112 LYS HA . 7276 1 1558 . 1 1 114 114 LYS HB2 H 1 1.888 0.020 . 1 . . . . 112 LYS HB2 . 7276 1 1559 . 1 1 114 114 LYS HB3 H 1 1.888 0.020 . 1 . . . . 112 LYS HB3 . 7276 1 1560 . 1 1 114 114 LYS HG2 H 1 1.428 0.020 . 1 . . . . 112 LYS HG2 . 7276 1 1561 . 1 1 114 114 LYS HG3 H 1 1.428 0.020 . 1 . . . . 112 LYS HG3 . 7276 1 1562 . 1 1 114 114 LYS HD2 H 1 1.672 0.020 . 1 . . . . 112 LYS HD2 . 7276 1 1563 . 1 1 114 114 LYS HD3 H 1 1.672 0.020 . 1 . . . . 112 LYS HD3 . 7276 1 1564 . 1 1 114 114 LYS HE2 H 1 2.895 0.020 . 1 . . . . 112 LYS HE2 . 7276 1 1565 . 1 1 114 114 LYS HE3 H 1 2.895 0.020 . 1 . . . . 112 LYS HE3 . 7276 1 1566 . 1 1 114 114 LYS C C 13 177.349 0.400 . 1 . . . . 112 LYS C . 7276 1 1567 . 1 1 114 114 LYS CA C 13 59.632 0.400 . 1 . . . . 112 LYS CA . 7276 1 1568 . 1 1 114 114 LYS CB C 13 32.590 0.400 . 1 . . . . 112 LYS CB . 7276 1 1569 . 1 1 114 114 LYS CG C 13 26.747 0.400 . 1 . . . . 112 LYS CG . 7276 1 1570 . 1 1 114 114 LYS CD C 13 29.748 0.400 . 1 . . . . 112 LYS CD . 7276 1 1571 . 1 1 114 114 LYS CE C 13 42.079 0.400 . 1 . . . . 112 LYS CE . 7276 1 1572 . 1 1 114 114 LYS N N 15 118.857 0.400 . 1 . . . . 112 LYS N . 7276 1 1573 . 1 1 115 115 ASP H H 1 7.644 0.020 . 1 . . . . 113 ASP H . 7276 1 1574 . 1 1 115 115 ASP HA H 1 4.563 0.020 . 1 . . . . 113 ASP HA . 7276 1 1575 . 1 1 115 115 ASP HB2 H 1 2.728 0.020 . 1 . . . . 113 ASP HB2 . 7276 1 1576 . 1 1 115 115 ASP HB3 H 1 2.728 0.020 . 1 . . . . 113 ASP HB3 . 7276 1 1577 . 1 1 115 115 ASP C C 13 176.939 0.400 . 1 . . . . 113 ASP C . 7276 1 1578 . 1 1 115 115 ASP CA C 13 55.228 0.400 . 1 . . . . 113 ASP CA . 7276 1 1579 . 1 1 115 115 ASP CB C 13 41.586 0.400 . 1 . . . . 113 ASP CB . 7276 1 1580 . 1 1 115 115 ASP CG C 13 178.752 0.400 . 1 . . . . 113 ASP CG . 7276 1 1581 . 1 1 115 115 ASP N N 15 117.329 0.400 . 1 . . . . 113 ASP N . 7276 1 1582 . 1 1 116 116 ILE H H 1 7.006 0.020 . 1 . . . . 114 ILE H . 7276 1 1583 . 1 1 116 116 ILE HA H 1 3.854 0.020 . 1 . . . . 114 ILE HA . 7276 1 1584 . 1 1 116 116 ILE HB H 1 1.745 0.020 . 1 . . . . 114 ILE HB . 7276 1 1585 . 1 1 116 116 ILE HG12 H 1 1.342 0.020 . 1 . . . . 114 ILE HG12 . 7276 1 1586 . 1 1 116 116 ILE HG13 H 1 1.342 0.020 . 1 . . . . 114 ILE HG13 . 7276 1 1587 . 1 1 116 116 ILE HG21 H 1 0.737 0.020 . 1 . . . . 114 ILE HG2 . 7276 1 1588 . 1 1 116 116 ILE HG22 H 1 0.737 0.020 . 1 . . . . 114 ILE HG2 . 7276 1 1589 . 1 1 116 116 ILE HG23 H 1 0.737 0.020 . 1 . . . . 114 ILE HG2 . 7276 1 1590 . 1 1 116 116 ILE HD11 H 1 0.796 0.020 . 1 . . . . 114 ILE HD1 . 7276 1 1591 . 1 1 116 116 ILE HD12 H 1 0.796 0.020 . 1 . . . . 114 ILE HD1 . 7276 1 1592 . 1 1 116 116 ILE HD13 H 1 0.796 0.020 . 1 . . . . 114 ILE HD1 . 7276 1 1593 . 1 1 116 116 ILE C C 13 175.682 0.400 . 1 . . . . 114 ILE C . 7276 1 1594 . 1 1 116 116 ILE CA C 13 61.850 0.400 . 1 . . . . 114 ILE CA . 7276 1 1595 . 1 1 116 116 ILE CB C 13 37.939 0.400 . 1 . . . . 114 ILE CB . 7276 1 1596 . 1 1 116 116 ILE CG1 C 13 28.203 0.400 . 1 . . . . 114 ILE CG1 . 7276 1 1597 . 1 1 116 116 ILE CG2 C 13 17.217 0.400 . 1 . . . . 114 ILE CG2 . 7276 1 1598 . 1 1 116 116 ILE CD1 C 13 13.204 0.400 . 1 . . . . 114 ILE CD1 . 7276 1 1599 . 1 1 116 116 ILE N N 15 121.139 0.400 . 1 . . . . 114 ILE N . 7276 1 1600 . 1 1 117 117 GLN H H 1 8.608 0.020 . 1 . . . . 115 GLN H . 7276 1 1601 . 1 1 117 117 GLN HA H 1 4.509 0.020 . 1 . . . . 115 GLN HA . 7276 1 1602 . 1 1 117 117 GLN HB2 H 1 2.106 0.020 . 1 . . . . 115 GLN HB2 . 7276 1 1603 . 1 1 117 117 GLN HB3 H 1 2.106 0.020 . 1 . . . . 115 GLN HB3 . 7276 1 1604 . 1 1 117 117 GLN HG2 H 1 2.439 0.020 . 1 . . . . 115 GLN HG2 . 7276 1 1605 . 1 1 117 117 GLN HG3 H 1 2.439 0.020 . 1 . . . . 115 GLN HG3 . 7276 1 1606 . 1 1 117 117 GLN HE21 H 1 7.854 0.020 . 2 . . . . 115 GLN HE21 . 7276 1 1607 . 1 1 117 117 GLN HE22 H 1 6.899 0.020 . 2 . . . . 115 GLN HE22 . 7276 1 1608 . 1 1 117 117 GLN C C 13 175.906 0.400 . 1 . . . . 115 GLN C . 7276 1 1609 . 1 1 117 117 GLN CA C 13 55.422 0.400 . 1 . . . . 115 GLN CA . 7276 1 1610 . 1 1 117 117 GLN CB C 13 28.262 0.400 . 1 . . . . 115 GLN CB . 7276 1 1611 . 1 1 117 117 GLN CG C 13 33.926 0.400 . 1 . . . . 115 GLN CG . 7276 1 1612 . 1 1 117 117 GLN CD C 13 180.571 0.400 . 1 . . . . 115 GLN CD . 7276 1 1613 . 1 1 117 117 GLN N N 15 128.102 0.400 . 1 . . . . 115 GLN N . 7276 1 1614 . 1 1 117 117 GLN NE2 N 15 115.461 0.400 . 1 . . . . 115 GLN NE2 . 7276 1 1615 . 1 1 118 118 THR H H 1 8.137 0.020 . 1 . . . . 116 THR H . 7276 1 1616 . 1 1 118 118 THR HA H 1 4.606 0.020 . 1 . . . . 116 THR HA . 7276 1 1617 . 1 1 118 118 THR HB H 1 4.146 0.020 . 1 . . . . 116 THR HB . 7276 1 1618 . 1 1 118 118 THR HG21 H 1 0.825 0.020 . 1 . . . . 116 THR HG2 . 7276 1 1619 . 1 1 118 118 THR HG22 H 1 0.825 0.020 . 1 . . . . 116 THR HG2 . 7276 1 1620 . 1 1 118 118 THR HG23 H 1 0.825 0.020 . 1 . . . . 116 THR HG2 . 7276 1 1621 . 1 1 118 118 THR C C 13 174.093 0.400 . 1 . . . . 116 THR C . 7276 1 1622 . 1 1 118 118 THR CA C 13 60.192 0.400 . 1 . . . . 116 THR CA . 7276 1 1623 . 1 1 118 118 THR CB C 13 71.239 0.400 . 1 . . . . 116 THR CB . 7276 1 1624 . 1 1 118 118 THR CG2 C 13 22.420 0.400 . 1 . . . . 116 THR CG2 . 7276 1 1625 . 1 1 118 118 THR N N 15 115.744 0.400 . 1 . . . . 116 THR N . 7276 1 1626 . 1 1 119 119 GLN H H 1 8.435 0.020 . 1 . . . . 117 GLN H . 7276 1 1627 . 1 1 119 119 GLN HA H 1 4.387 0.020 . 1 . . . . 117 GLN HA . 7276 1 1628 . 1 1 119 119 GLN HB2 H 1 2.186 0.020 . 2 . . . . 117 GLN HB2 . 7276 1 1629 . 1 1 119 119 GLN HB3 H 1 2.044 0.020 . 2 . . . . 117 GLN HB3 . 7276 1 1630 . 1 1 119 119 GLN HG2 H 1 2.359 0.020 . 1 . . . . 117 GLN HG2 . 7276 1 1631 . 1 1 119 119 GLN HG3 H 1 2.359 0.020 . 1 . . . . 117 GLN HG3 . 7276 1 1632 . 1 1 119 119 GLN HE21 H 1 6.840 0.020 . 2 . . . . 117 GLN HE21 . 7276 1 1633 . 1 1 119 119 GLN HE22 H 1 7.572 0.020 . 2 . . . . 117 GLN HE22 . 7276 1 1634 . 1 1 119 119 GLN C C 13 180.337 0.400 . 1 . . . . 117 GLN C . 7276 1 1635 . 1 1 119 119 GLN CA C 13 57.303 0.400 . 1 . . . . 117 GLN CA . 7276 1 1636 . 1 1 119 119 GLN CB C 13 31.242 0.400 . 1 . . . . 117 GLN CB . 7276 1 1637 . 1 1 119 119 GLN CG C 13 33.919 0.400 . 1 . . . . 117 GLN CG . 7276 1 1638 . 1 1 119 119 GLN CD C 13 181.429 0.400 . 1 . . . . 117 GLN CD . 7276 1 1639 . 1 1 119 119 GLN N N 15 122.453 0.400 . 1 . . . . 117 GLN N . 7276 1 1640 . 1 1 119 119 GLN NE2 N 15 112.078 0.400 . 1 . . . . 117 GLN NE2 . 7276 1 stop_ loop_ _Ambiguous_atom_chem_shift.Ambiguous_shift_set_ID _Ambiguous_atom_chem_shift.Atom_chem_shift_ID _Ambiguous_atom_chem_shift.Entry_ID _Ambiguous_atom_chem_shift.Assigned_chem_shift_list_ID 1 137 7276 1 1 193 7276 1 1 1219 7276 1 2 145 7276 1 2 201 7276 1 2 1227 7276 1 stop_ save_