data_16868 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 16868 _Entry.Title ; Solution structure of the aminoterminal domain of E. coli NusA ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2010-04-15 _Entry.Accession_date 2010-04-15 _Entry.Last_release_date 2012-08-02 _Entry.Original_release_date 2012-08-02 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.9.13 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Kristian Schweimer . . . 16868 2 Marcel Jurk . . . 16868 3 Paul Roesch . . . 16868 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'not applicable' 'not applicable' . 16868 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID NusA . 16868 transcription . 16868 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 16868 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 508 16868 '15N chemical shifts' 119 16868 '1H chemical shifts' 868 16868 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2012-08-02 2010-04-15 original author . 16868 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2KWP 'BMRB Entry Tracking System' 16868 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 16868 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title 'Solution structure of the aminoterminal domain of E. coli NusA' _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev 'Not known' _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Marcel Jurk . . . 16868 1 2 Kristian Schweimer . . . 16868 1 3 Paul Roesch . . . 16868 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 16868 _Assembly.ID 1 _Assembly.Name NusA _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 NusA 1 $NusA A . yes native no no . . . 16868 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_NusA _Entity.Sf_category entity _Entity.Sf_framecode NusA _Entity.Entry_ID 16868 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name NusA _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MNKEILAVVEAVSNEKALPR EKIFEALESALATATKKKYE QEIDVRVQIDRKSGDFDTFR RWLVVDEVTQPTKEITLEAA RYEDESLNLGDYVEDQIESV TFDRITTQTAKQVIVQKVRE AERAMLVPR ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 129 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 14894.971 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 2KWP . "Solution Structure Of The Aminoterminal Domain Of E. Coli Nusa" . . . . . 100.00 129 100.00 100.00 8.94e-85 . . . . 16868 1 2 no DBJ BAB37473 . "transcription termination-antitermination factor NusA [Escherichia coli O157:H7 str. Sakai]" . . . . . 98.45 495 99.21 100.00 1.41e-77 . . . . 16868 1 3 no DBJ BAE77215 . "transcription termination/antitermination L factor [Escherichia coli str. K12 substr. W3110]" . . . . . 98.45 495 99.21 100.00 1.41e-77 . . . . 16868 1 4 no DBJ BAG78979 . "N utilization substance protein A [Escherichia coli SE11]" . . . . . 98.45 495 99.21 100.00 1.41e-77 . . . . 16868 1 5 no DBJ BAI27449 . "transcription termination/antitermination L factor NusA [Escherichia coli O26:H11 str. 11368]" . . . . . 98.45 495 99.21 100.00 1.41e-77 . . . . 16868 1 6 no DBJ BAI32628 . "transcription termination/antitermination L factor NusA [Escherichia coli O103:H2 str. 12009]" . . . . . 98.45 495 99.21 100.00 1.41e-77 . . . . 16868 1 7 no EMBL CAA25200 . "unnamed protein product [Escherichia coli]" . . . . . 98.45 494 99.21 100.00 9.13e-78 . . . . 16868 1 8 no EMBL CAP77631 . "Transcription elongation protein nusA [Escherichia coli LF82]" . . . . . 98.45 495 99.21 100.00 1.41e-77 . . . . 16868 1 9 no EMBL CAQ33504 . "transcription termination/antitermination L factor [Escherichia coli BL21(DE3)]" . . . . . 98.45 495 99.21 100.00 1.41e-77 . . . . 16868 1 10 no EMBL CAQ90641 . "transcription termination/antitermination L factor [Escherichia fergusonii ATCC 35469]" . . . . . 98.45 495 98.43 100.00 5.84e-77 . . . . 16868 1 11 no EMBL CAR00133 . "transcription termination/antitermination L factor [Escherichia coli IAI1]" . . . . . 98.45 495 99.21 100.00 1.41e-77 . . . . 16868 1 12 no GB AAA57972 . "L factor [Escherichia coli str. K-12 substr. MG1655]" . . . . . 98.45 495 99.21 100.00 1.41e-77 . . . . 16868 1 13 no GB AAC76203 . "transcription termination/antitermination L factor [Escherichia coli str. K-12 substr. MG1655]" . . . . . 98.45 495 99.21 100.00 1.41e-77 . . . . 16868 1 14 no GB AAG58305 . "transcription pausing; L factor [Escherichia coli O157:H7 str. EDL933]" . . . . . 98.45 495 99.21 100.00 1.41e-77 . . . . 16868 1 15 no GB AAN44677 . "transcription pausing; L factor [Shigella flexneri 2a str. 301]" . . . . . 98.45 495 99.21 100.00 1.41e-77 . . . . 16868 1 16 no GB AAN82367 . "N utilization substance protein A [Escherichia coli CFT073]" . . . . . 98.45 495 99.21 100.00 1.41e-77 . . . . 16868 1 17 no REF NP_312077 . "transcription elongation factor NusA [Escherichia coli O157:H7 str. Sakai]" . . . . . 98.45 495 99.21 100.00 1.41e-77 . . . . 16868 1 18 no REF NP_417638 . "transcription termination/antitermination L factor [Escherichia coli str. K-12 substr. MG1655]" . . . . . 98.45 495 99.21 100.00 1.41e-77 . . . . 16868 1 19 no REF NP_708970 . "transcription elongation factor NusA [Shigella flexneri 2a str. 301]" . . . . . 98.45 495 99.21 100.00 1.41e-77 . . . . 16868 1 20 no REF WP_001031044 . "MULTISPECIES: transcription termination/antitermination protein NusA [Escherichia]" . . . . . 98.45 495 97.64 100.00 9.86e-77 . . . . 16868 1 21 no REF WP_001031045 . "MULTISPECIES: transcription termination/antitermination protein NusA [Escherichia]" . . . . . 98.45 495 98.43 100.00 2.59e-77 . . . . 16868 1 22 no SP P0AFF6 . "RecName: Full=Transcription termination/antitermination protein NusA; AltName: Full=N utilization substance protein A; AltName:" . . . . . 98.45 495 99.21 100.00 1.41e-77 . . . . 16868 1 23 no SP P0AFF7 . "RecName: Full=Transcription termination/antitermination protein NusA" . . . . . 98.45 495 99.21 100.00 1.41e-77 . . . . 16868 1 24 no SP P0AFF8 . "RecName: Full=Transcription termination/antitermination protein NusA" . . . . . 98.45 495 99.21 100.00 1.41e-77 . . . . 16868 1 25 no SP P0AFF9 . "RecName: Full=Transcription termination/antitermination protein NusA" . . . . . 98.45 495 99.21 100.00 1.41e-77 . . . . 16868 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 . MET . 16868 1 2 . ASN . 16868 1 3 . LYS . 16868 1 4 . GLU . 16868 1 5 . ILE . 16868 1 6 . LEU . 16868 1 7 . ALA . 16868 1 8 . VAL . 16868 1 9 . VAL . 16868 1 10 . GLU . 16868 1 11 . ALA . 16868 1 12 . VAL . 16868 1 13 . SER . 16868 1 14 . ASN . 16868 1 15 . GLU . 16868 1 16 . LYS . 16868 1 17 . ALA . 16868 1 18 . LEU . 16868 1 19 . PRO . 16868 1 20 . ARG . 16868 1 21 . GLU . 16868 1 22 . LYS . 16868 1 23 . ILE . 16868 1 24 . PHE . 16868 1 25 . GLU . 16868 1 26 . ALA . 16868 1 27 . LEU . 16868 1 28 . GLU . 16868 1 29 . SER . 16868 1 30 . ALA . 16868 1 31 . LEU . 16868 1 32 . ALA . 16868 1 33 . THR . 16868 1 34 . ALA . 16868 1 35 . THR . 16868 1 36 . LYS . 16868 1 37 . LYS . 16868 1 38 . LYS . 16868 1 39 . TYR . 16868 1 40 . GLU . 16868 1 41 . GLN . 16868 1 42 . GLU . 16868 1 43 . ILE . 16868 1 44 . ASP . 16868 1 45 . VAL . 16868 1 46 . ARG . 16868 1 47 . VAL . 16868 1 48 . GLN . 16868 1 49 . ILE . 16868 1 50 . ASP . 16868 1 51 . ARG . 16868 1 52 . LYS . 16868 1 53 . SER . 16868 1 54 . GLY . 16868 1 55 . ASP . 16868 1 56 . PHE . 16868 1 57 . ASP . 16868 1 58 . THR . 16868 1 59 . PHE . 16868 1 60 . ARG . 16868 1 61 . ARG . 16868 1 62 . TRP . 16868 1 63 . LEU . 16868 1 64 . VAL . 16868 1 65 . VAL . 16868 1 66 . ASP . 16868 1 67 . GLU . 16868 1 68 . VAL . 16868 1 69 . THR . 16868 1 70 . GLN . 16868 1 71 . PRO . 16868 1 72 . THR . 16868 1 73 . LYS . 16868 1 74 . GLU . 16868 1 75 . ILE . 16868 1 76 . THR . 16868 1 77 . LEU . 16868 1 78 . GLU . 16868 1 79 . ALA . 16868 1 80 . ALA . 16868 1 81 . ARG . 16868 1 82 . TYR . 16868 1 83 . GLU . 16868 1 84 . ASP . 16868 1 85 . GLU . 16868 1 86 . SER . 16868 1 87 . LEU . 16868 1 88 . ASN . 16868 1 89 . LEU . 16868 1 90 . GLY . 16868 1 91 . ASP . 16868 1 92 . TYR . 16868 1 93 . VAL . 16868 1 94 . GLU . 16868 1 95 . ASP . 16868 1 96 . GLN . 16868 1 97 . ILE . 16868 1 98 . GLU . 16868 1 99 . SER . 16868 1 100 . VAL . 16868 1 101 . THR . 16868 1 102 . PHE . 16868 1 103 . ASP . 16868 1 104 . ARG . 16868 1 105 . ILE . 16868 1 106 . THR . 16868 1 107 . THR . 16868 1 108 . GLN . 16868 1 109 . THR . 16868 1 110 . ALA . 16868 1 111 . LYS . 16868 1 112 . GLN . 16868 1 113 . VAL . 16868 1 114 . ILE . 16868 1 115 . VAL . 16868 1 116 . GLN . 16868 1 117 . LYS . 16868 1 118 . VAL . 16868 1 119 . ARG . 16868 1 120 . GLU . 16868 1 121 . ALA . 16868 1 122 . GLU . 16868 1 123 . ARG . 16868 1 124 . ALA . 16868 1 125 . MET . 16868 1 126 . LEU . 16868 1 127 . VAL . 16868 1 128 . PRO . 16868 1 129 . ARG . 16868 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 . MET 1 1 16868 1 . ASN 2 2 16868 1 . LYS 3 3 16868 1 . GLU 4 4 16868 1 . ILE 5 5 16868 1 . LEU 6 6 16868 1 . ALA 7 7 16868 1 . VAL 8 8 16868 1 . VAL 9 9 16868 1 . GLU 10 10 16868 1 . ALA 11 11 16868 1 . VAL 12 12 16868 1 . SER 13 13 16868 1 . ASN 14 14 16868 1 . GLU 15 15 16868 1 . LYS 16 16 16868 1 . ALA 17 17 16868 1 . LEU 18 18 16868 1 . PRO 19 19 16868 1 . ARG 20 20 16868 1 . GLU 21 21 16868 1 . LYS 22 22 16868 1 . ILE 23 23 16868 1 . PHE 24 24 16868 1 . GLU 25 25 16868 1 . ALA 26 26 16868 1 . LEU 27 27 16868 1 . GLU 28 28 16868 1 . SER 29 29 16868 1 . ALA 30 30 16868 1 . LEU 31 31 16868 1 . ALA 32 32 16868 1 . THR 33 33 16868 1 . ALA 34 34 16868 1 . THR 35 35 16868 1 . LYS 36 36 16868 1 . LYS 37 37 16868 1 . LYS 38 38 16868 1 . TYR 39 39 16868 1 . GLU 40 40 16868 1 . GLN 41 41 16868 1 . GLU 42 42 16868 1 . ILE 43 43 16868 1 . ASP 44 44 16868 1 . VAL 45 45 16868 1 . ARG 46 46 16868 1 . VAL 47 47 16868 1 . GLN 48 48 16868 1 . ILE 49 49 16868 1 . ASP 50 50 16868 1 . ARG 51 51 16868 1 . LYS 52 52 16868 1 . SER 53 53 16868 1 . GLY 54 54 16868 1 . ASP 55 55 16868 1 . PHE 56 56 16868 1 . ASP 57 57 16868 1 . THR 58 58 16868 1 . PHE 59 59 16868 1 . ARG 60 60 16868 1 . ARG 61 61 16868 1 . TRP 62 62 16868 1 . LEU 63 63 16868 1 . VAL 64 64 16868 1 . VAL 65 65 16868 1 . ASP 66 66 16868 1 . GLU 67 67 16868 1 . VAL 68 68 16868 1 . THR 69 69 16868 1 . GLN 70 70 16868 1 . PRO 71 71 16868 1 . THR 72 72 16868 1 . LYS 73 73 16868 1 . GLU 74 74 16868 1 . ILE 75 75 16868 1 . THR 76 76 16868 1 . LEU 77 77 16868 1 . GLU 78 78 16868 1 . ALA 79 79 16868 1 . ALA 80 80 16868 1 . ARG 81 81 16868 1 . TYR 82 82 16868 1 . GLU 83 83 16868 1 . ASP 84 84 16868 1 . GLU 85 85 16868 1 . SER 86 86 16868 1 . LEU 87 87 16868 1 . ASN 88 88 16868 1 . LEU 89 89 16868 1 . GLY 90 90 16868 1 . ASP 91 91 16868 1 . TYR 92 92 16868 1 . VAL 93 93 16868 1 . GLU 94 94 16868 1 . ASP 95 95 16868 1 . GLN 96 96 16868 1 . ILE 97 97 16868 1 . GLU 98 98 16868 1 . SER 99 99 16868 1 . VAL 100 100 16868 1 . THR 101 101 16868 1 . PHE 102 102 16868 1 . ASP 103 103 16868 1 . ARG 104 104 16868 1 . ILE 105 105 16868 1 . THR 106 106 16868 1 . THR 107 107 16868 1 . GLN 108 108 16868 1 . THR 109 109 16868 1 . ALA 110 110 16868 1 . LYS 111 111 16868 1 . GLN 112 112 16868 1 . VAL 113 113 16868 1 . ILE 114 114 16868 1 . VAL 115 115 16868 1 . GLN 116 116 16868 1 . LYS 117 117 16868 1 . VAL 118 118 16868 1 . ARG 119 119 16868 1 . GLU 120 120 16868 1 . ALA 121 121 16868 1 . GLU 122 122 16868 1 . ARG 123 123 16868 1 . ALA 124 124 16868 1 . MET 125 125 16868 1 . LEU 126 126 16868 1 . VAL 127 127 16868 1 . PRO 128 128 16868 1 . ARG 129 129 16868 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 16868 _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 $NusA . 562 organism . 'Escherichia coli' 'E. coli' . . Eubacteria . Escherichia coli . . . . . . . . . . . . . . . . . . . . . 16868 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 16868 _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 $NusA . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . BL21(DE3) . . . . . . 16868 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 16868 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 NusA '[U-98% 13C; U-98% 15N]' . . 1 $NusA . . 0.4 . . mM . . . . 16868 1 2 'potassium phosphate' 'natural abundance' . . . . . . 10 . . mM . . . . 16868 1 3 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 16868 1 4 EDTA 'natural abundance' . . . . . . 50 . . uM . . . . 16868 1 5 H2O 'natural abundance' . . . . . . 90 . . % . . . . 16868 1 6 D2O 'natural abundance' . . . . . . 10 . . % . . . . 16868 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 16868 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 NusA '[U-98% 13C; U-98% 15N]' . . 1 $NusA . . 0.4 . . mM . . . . 16868 2 2 'potassium phosphate' 'natural abundance' . . . . . . 10 . . mM . . . . 16868 2 3 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 16868 2 4 EDTA 'natural abundance' . . . . . . 50 . . uM . . . . 16868 2 5 D2O 'natural abundance' . . . . . . 100 . . % . . . . 16868 2 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 16868 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 50 . mM 16868 1 pH 6.5 . pH 16868 1 pressure 1 . atm 16868 1 temperature 298 . K 16868 1 stop_ save_ ############################ # Computer software used # ############################ save_X-PLOR_NIH _Software.Sf_category software _Software.Sf_framecode X-PLOR_NIH _Software.Entry_ID 16868 _Software.ID 1 _Software.Name 'X-PLOR NIH' _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Schwieters, Kuszewski, Tjandra and Clore' . . 16868 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 16868 1 stop_ save_ save_NMRView _Software.Sf_category software _Software.Sf_framecode NMRView _Software.Entry_ID 16868 _Software.ID 2 _Software.Name NMRView _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Johnson, One Moon Scientific' . . 16868 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 16868 2 stop_ save_ save_xwinnmr _Software.Sf_category software _Software.Sf_framecode xwinnmr _Software.Entry_ID 16868 _Software.ID 3 _Software.Name xwinnmr _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 16868 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 16868 3 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 16868 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details 'equipped with CryoProbe' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 16868 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 800 'equipped with CryoProbe' . . 16868 1 stop_ save_ ############################# # NMR applied experiments # ############################# save_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list _Experiment_list.Entry_ID 16868 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16868 1 2 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16868 1 3 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16868 1 4 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16868 1 5 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16868 1 6 '2D 1H-13C HSQC' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16868 1 7 '3D 1H-13C NOESY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16868 1 8 '3D HCCH-TOCSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16868 1 9 '3D CCH-TOCSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16868 1 10 '3D CCH-NOESY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16868 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 16868 _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 0.00 na indirect 0.251449530 . . . . . . . . . 16868 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 16868 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 16868 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 16868 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 16868 1 6 '2D 1H-13C HSQC' . . . 16868 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 MET HA H 1 4.18 0.03 . 1 . . . . 1 MET HA . 16868 1 2 . 1 1 1 1 MET HB2 H 1 2.14 0.03 . 2 . . . . 1 MET HB2 . 16868 1 3 . 1 1 1 1 MET HB3 H 1 2.27 0.03 . 2 . . . . 1 MET HB3 . 16868 1 4 . 1 1 1 1 MET HG2 H 1 2.52 0.03 . 2 . . . . 1 MET HG2 . 16868 1 5 . 1 1 1 1 MET HG3 H 1 2.64 0.03 . 2 . . . . 1 MET HG3 . 16868 1 6 . 1 1 1 1 MET C C 13 172.23 0.2 . 1 . . . . 1 MET C . 16868 1 7 . 1 1 1 1 MET CA C 13 54.65 0.2 . 1 . . . . 1 MET CA . 16868 1 8 . 1 1 1 1 MET CB C 13 33.49 0.2 . 1 . . . . 1 MET CB . 16868 1 9 . 1 1 1 1 MET CG C 13 31.07 0.2 . 1 . . . . 1 MET CG . 16868 1 10 . 1 1 2 2 ASN H H 1 9.02 0.03 . 1 . . . . 2 ASN H . 16868 1 11 . 1 1 2 2 ASN HA H 1 4.98 0.03 . 1 . . . . 2 ASN HA . 16868 1 12 . 1 1 2 2 ASN HB2 H 1 2.48 0.03 . 2 . . . . 2 ASN HB2 . 16868 1 13 . 1 1 2 2 ASN HB3 H 1 3.10 0.03 . 2 . . . . 2 ASN HB3 . 16868 1 14 . 1 1 2 2 ASN C C 13 174.54 0.2 . 1 . . . . 2 ASN C . 16868 1 15 . 1 1 2 2 ASN CA C 13 52.35 0.2 . 1 . . . . 2 ASN CA . 16868 1 16 . 1 1 2 2 ASN CB C 13 38.60 0.2 . 1 . . . . 2 ASN CB . 16868 1 17 . 1 1 2 2 ASN N N 15 125.14 0.1 . 1 . . . . 2 ASN N . 16868 1 18 . 1 1 3 3 LYS H H 1 8.96 0.03 . 1 . . . . 3 LYS H . 16868 1 19 . 1 1 3 3 LYS HA H 1 3.90 0.03 . 1 . . . . 3 LYS HA . 16868 1 20 . 1 1 3 3 LYS HB2 H 1 1.85 0.03 . 2 . . . . 3 LYS HB2 . 16868 1 21 . 1 1 3 3 LYS HB3 H 1 1.85 0.03 . 2 . . . . 3 LYS HB3 . 16868 1 22 . 1 1 3 3 LYS HD2 H 1 1.50 0.03 . 2 . . . . 3 LYS HD2 . 16868 1 23 . 1 1 3 3 LYS HD3 H 1 1.50 0.03 . 2 . . . . 3 LYS HD3 . 16868 1 24 . 1 1 3 3 LYS HE2 H 1 3.00 0.03 . 2 . . . . 3 LYS HE2 . 16868 1 25 . 1 1 3 3 LYS HE3 H 1 3.00 0.03 . 2 . . . . 3 LYS HE3 . 16868 1 26 . 1 1 3 3 LYS HG2 H 1 1.72 0.03 . 2 . . . . 3 LYS HG2 . 16868 1 27 . 1 1 3 3 LYS HG3 H 1 1.72 0.03 . 2 . . . . 3 LYS HG3 . 16868 1 28 . 1 1 3 3 LYS C C 13 178.22 0.2 . 1 . . . . 3 LYS C . 16868 1 29 . 1 1 3 3 LYS CA C 13 59.24 0.2 . 1 . . . . 3 LYS CA . 16868 1 30 . 1 1 3 3 LYS CB C 13 32.29 0.2 . 1 . . . . 3 LYS CB . 16868 1 31 . 1 1 3 3 LYS CD C 13 29.36 0.2 . 1 . . . . 3 LYS CD . 16868 1 32 . 1 1 3 3 LYS CE C 13 41.79 0.2 . 1 . . . . 3 LYS CE . 16868 1 33 . 1 1 3 3 LYS CG C 13 25.61 0.2 . 1 . . . . 3 LYS CG . 16868 1 34 . 1 1 3 3 LYS N N 15 123.47 0.1 . 1 . . . . 3 LYS N . 16868 1 35 . 1 1 4 4 GLU H H 1 8.38 0.03 . 1 . . . . 4 GLU H . 16868 1 36 . 1 1 4 4 GLU HA H 1 4.19 0.03 . 1 . . . . 4 GLU HA . 16868 1 37 . 1 1 4 4 GLU HB2 H 1 2.13 0.03 . 2 . . . . 4 GLU HB2 . 16868 1 38 . 1 1 4 4 GLU HB3 H 1 2.44 0.03 . 2 . . . . 4 GLU HB3 . 16868 1 39 . 1 1 4 4 GLU HG2 H 1 2.36 0.03 . 2 . . . . 4 GLU HG2 . 16868 1 40 . 1 1 4 4 GLU HG3 H 1 2.48 0.03 . 2 . . . . 4 GLU HG3 . 16868 1 41 . 1 1 4 4 GLU C C 13 179.46 0.2 . 1 . . . . 4 GLU C . 16868 1 42 . 1 1 4 4 GLU CA C 13 60.28 0.2 . 1 . . . . 4 GLU CA . 16868 1 43 . 1 1 4 4 GLU CB C 13 28.83 0.2 . 1 . . . . 4 GLU CB . 16868 1 44 . 1 1 4 4 GLU CG C 13 37.22 0.2 . 1 . . . . 4 GLU CG . 16868 1 45 . 1 1 4 4 GLU N N 15 120.59 0.1 . 1 . . . . 4 GLU N . 16868 1 46 . 1 1 5 5 ILE H H 1 7.77 0.03 . 1 . . . . 5 ILE H . 16868 1 47 . 1 1 5 5 ILE HA H 1 3.36 0.03 . 1 . . . . 5 ILE HA . 16868 1 48 . 1 1 5 5 ILE HB H 1 2.08 0.03 . 1 . . . . 5 ILE HB . 16868 1 49 . 1 1 5 5 ILE HD11 H 1 -0.01 0.03 . 1 . . . . 5 ILE MD . 16868 1 50 . 1 1 5 5 ILE HD12 H 1 -0.01 0.03 . 1 . . . . 5 ILE MD . 16868 1 51 . 1 1 5 5 ILE HD13 H 1 -0.01 0.03 . 1 . . . . 5 ILE MD . 16868 1 52 . 1 1 5 5 ILE HG12 H 1 0.78 0.03 . 2 . . . . 5 ILE HG12 . 16868 1 53 . 1 1 5 5 ILE HG13 H 1 1.61 0.03 . 2 . . . . 5 ILE HG13 . 16868 1 54 . 1 1 5 5 ILE HG21 H 1 0.79 0.03 . 1 . . . . 5 ILE MG . 16868 1 55 . 1 1 5 5 ILE HG22 H 1 0.79 0.03 . 1 . . . . 5 ILE MG . 16868 1 56 . 1 1 5 5 ILE HG23 H 1 0.79 0.03 . 1 . . . . 5 ILE MG . 16868 1 57 . 1 1 5 5 ILE C C 13 177.76 0.2 . 1 . . . . 5 ILE C . 16868 1 58 . 1 1 5 5 ILE CA C 13 62.83 0.2 . 1 . . . . 5 ILE CA . 16868 1 59 . 1 1 5 5 ILE CB C 13 36.43 0.2 . 1 . . . . 5 ILE CB . 16868 1 60 . 1 1 5 5 ILE CD1 C 13 10.10 0.2 . 1 . . . . 5 ILE CD1 . 16868 1 61 . 1 1 5 5 ILE CG1 C 13 26.67 0.2 . 1 . . . . 5 ILE CG1 . 16868 1 62 . 1 1 5 5 ILE CG2 C 13 16.32 0.2 . 1 . . . . 5 ILE CG2 . 16868 1 63 . 1 1 5 5 ILE N N 15 121.53 0.1 . 1 . . . . 5 ILE N . 16868 1 64 . 1 1 6 6 LEU H H 1 7.32 0.03 . 1 . . . . 6 LEU H . 16868 1 65 . 1 1 6 6 LEU HA H 1 3.81 0.03 . 1 . . . . 6 LEU HA . 16868 1 66 . 1 1 6 6 LEU HB2 H 1 1.52 0.03 . 2 . . . . 6 LEU HB2 . 16868 1 67 . 1 1 6 6 LEU HB3 H 1 1.77 0.03 . 2 . . . . 6 LEU HB3 . 16868 1 68 . 1 1 6 6 LEU HD11 H 1 0.82 0.03 . 2 . . . . 6 LEU MD1 . 16868 1 69 . 1 1 6 6 LEU HD12 H 1 0.82 0.03 . 2 . . . . 6 LEU MD1 . 16868 1 70 . 1 1 6 6 LEU HD13 H 1 0.82 0.03 . 2 . . . . 6 LEU MD1 . 16868 1 71 . 1 1 6 6 LEU HD21 H 1 0.84 0.03 . 2 . . . . 6 LEU MD2 . 16868 1 72 . 1 1 6 6 LEU HD22 H 1 0.84 0.03 . 2 . . . . 6 LEU MD2 . 16868 1 73 . 1 1 6 6 LEU HD23 H 1 0.84 0.03 . 2 . . . . 6 LEU MD2 . 16868 1 74 . 1 1 6 6 LEU HG H 1 0.84 0.03 . 1 . . . . 6 LEU HG . 16868 1 75 . 1 1 6 6 LEU C C 13 179.46 0.2 . 1 . . . . 6 LEU C . 16868 1 76 . 1 1 6 6 LEU CA C 13 57.75 0.2 . 1 . . . . 6 LEU CA . 16868 1 77 . 1 1 6 6 LEU CB C 13 40.74 0.2 . 1 . . . . 6 LEU CB . 16868 1 78 . 1 1 6 6 LEU CD1 C 13 20.64 0.2 . 2 . . . . 6 LEU CD1 . 16868 1 79 . 1 1 6 6 LEU CD2 C 13 25.80 0.2 . 2 . . . . 6 LEU CD2 . 16868 1 80 . 1 1 6 6 LEU CG C 13 26.20 0.2 . 1 . . . . 6 LEU CG . 16868 1 81 . 1 1 6 6 LEU N N 15 115.65 0.1 . 1 . . . . 6 LEU N . 16868 1 82 . 1 1 7 7 ALA H H 1 8.26 0.03 . 1 . . . . 7 ALA H . 16868 1 83 . 1 1 7 7 ALA HA H 1 4.18 0.03 . 1 . . . . 7 ALA HA . 16868 1 84 . 1 1 7 7 ALA HB1 H 1 1.53 0.03 . 1 . . . . 7 ALA MB . 16868 1 85 . 1 1 7 7 ALA HB2 H 1 1.53 0.03 . 1 . . . . 7 ALA MB . 16868 1 86 . 1 1 7 7 ALA HB3 H 1 1.53 0.03 . 1 . . . . 7 ALA MB . 16868 1 87 . 1 1 7 7 ALA C C 13 181.21 0.2 . 1 . . . . 7 ALA C . 16868 1 88 . 1 1 7 7 ALA CA C 13 54.97 0.2 . 1 . . . . 7 ALA CA . 16868 1 89 . 1 1 7 7 ALA CB C 13 18.11 0.2 . 1 . . . . 7 ALA CB . 16868 1 90 . 1 1 7 7 ALA N N 15 121.42 0.1 . 1 . . . . 7 ALA N . 16868 1 91 . 1 1 8 8 VAL H H 1 7.72 0.03 . 1 . . . . 8 VAL H . 16868 1 92 . 1 1 8 8 VAL HA H 1 3.78 0.03 . 1 . . . . 8 VAL HA . 16868 1 93 . 1 1 8 8 VAL HB H 1 2.21 0.03 . 1 . . . . 8 VAL HB . 16868 1 94 . 1 1 8 8 VAL HG11 H 1 0.90 0.03 . 2 . . . . 8 VAL MG1 . 16868 1 95 . 1 1 8 8 VAL HG12 H 1 0.90 0.03 . 2 . . . . 8 VAL MG1 . 16868 1 96 . 1 1 8 8 VAL HG13 H 1 0.90 0.03 . 2 . . . . 8 VAL MG1 . 16868 1 97 . 1 1 8 8 VAL HG21 H 1 0.97 0.03 . 2 . . . . 8 VAL MG2 . 16868 1 98 . 1 1 8 8 VAL HG22 H 1 0.97 0.03 . 2 . . . . 8 VAL MG2 . 16868 1 99 . 1 1 8 8 VAL HG23 H 1 0.97 0.03 . 2 . . . . 8 VAL MG2 . 16868 1 100 . 1 1 8 8 VAL C C 13 177.09 0.2 . 1 . . . . 8 VAL C . 16868 1 101 . 1 1 8 8 VAL CA C 13 66.36 0.2 . 1 . . . . 8 VAL CA . 16868 1 102 . 1 1 8 8 VAL CB C 13 31.50 0.2 . 1 . . . . 8 VAL CB . 16868 1 103 . 1 1 8 8 VAL CG1 C 13 21.89 0.2 . 2 . . . . 8 VAL CG1 . 16868 1 104 . 1 1 8 8 VAL CG2 C 13 21.30 0.2 . 2 . . . . 8 VAL CG2 . 16868 1 105 . 1 1 8 8 VAL N N 15 120.69 0.1 . 1 . . . . 8 VAL N . 16868 1 106 . 1 1 9 9 VAL H H 1 7.59 0.03 . 1 . . . . 9 VAL H . 16868 1 107 . 1 1 9 9 VAL HA H 1 3.23 0.03 . 1 . . . . 9 VAL HA . 16868 1 108 . 1 1 9 9 VAL HB H 1 1.78 0.03 . 1 . . . . 9 VAL HB . 16868 1 109 . 1 1 9 9 VAL HG11 H 1 0.09 0.03 . 2 . . . . 9 VAL MG1 . 16868 1 110 . 1 1 9 9 VAL HG12 H 1 0.09 0.03 . 2 . . . . 9 VAL MG1 . 16868 1 111 . 1 1 9 9 VAL HG13 H 1 0.09 0.03 . 2 . . . . 9 VAL MG1 . 16868 1 112 . 1 1 9 9 VAL HG21 H 1 0.43 0.03 . 2 . . . . 9 VAL MG2 . 16868 1 113 . 1 1 9 9 VAL HG22 H 1 0.43 0.03 . 2 . . . . 9 VAL MG2 . 16868 1 114 . 1 1 9 9 VAL HG23 H 1 0.43 0.03 . 2 . . . . 9 VAL MG2 . 16868 1 115 . 1 1 9 9 VAL C C 13 178.51 0.2 . 1 . . . . 9 VAL C . 16868 1 116 . 1 1 9 9 VAL CA C 13 66.71 0.2 . 1 . . . . 9 VAL CA . 16868 1 117 . 1 1 9 9 VAL CB C 13 31.00 0.2 . 1 . . . . 9 VAL CB . 16868 1 118 . 1 1 9 9 VAL CG1 C 13 21.55 0.2 . 2 . . . . 9 VAL CG1 . 16868 1 119 . 1 1 9 9 VAL CG2 C 13 20.72 0.2 . 2 . . . . 9 VAL CG2 . 16868 1 120 . 1 1 9 9 VAL N N 15 119.13 0.1 . 1 . . . . 9 VAL N . 16868 1 121 . 1 1 10 10 GLU H H 1 8.06 0.03 . 1 . . . . 10 GLU H . 16868 1 122 . 1 1 10 10 GLU HA H 1 3.89 0.03 . 1 . . . . 10 GLU HA . 16868 1 123 . 1 1 10 10 GLU HB2 H 1 2.06 0.03 . 2 . . . . 10 GLU HB2 . 16868 1 124 . 1 1 10 10 GLU HB3 H 1 2.06 0.03 . 2 . . . . 10 GLU HB3 . 16868 1 125 . 1 1 10 10 GLU HG2 H 1 2.28 0.03 . 2 . . . . 10 GLU HG2 . 16868 1 126 . 1 1 10 10 GLU HG3 H 1 2.28 0.03 . 2 . . . . 10 GLU HG3 . 16868 1 127 . 1 1 10 10 GLU C C 13 178.09 0.2 . 1 . . . . 10 GLU C . 16868 1 128 . 1 1 10 10 GLU CA C 13 59.17 0.2 . 1 . . . . 10 GLU CA . 16868 1 129 . 1 1 10 10 GLU CB C 13 29.54 0.2 . 1 . . . . 10 GLU CB . 16868 1 130 . 1 1 10 10 GLU CG C 13 35.63 0.2 . 1 . . . . 10 GLU CG . 16868 1 131 . 1 1 10 10 GLU N N 15 119.04 0.1 . 1 . . . . 10 GLU N . 16868 1 132 . 1 1 11 11 ALA H H 1 8.01 0.03 . 1 . . . . 11 ALA H . 16868 1 133 . 1 1 11 11 ALA HA H 1 4.17 0.03 . 1 . . . . 11 ALA HA . 16868 1 134 . 1 1 11 11 ALA HB1 H 1 1.53 0.03 . 1 . . . . 11 ALA MB . 16868 1 135 . 1 1 11 11 ALA HB2 H 1 1.53 0.03 . 1 . . . . 11 ALA MB . 16868 1 136 . 1 1 11 11 ALA HB3 H 1 1.53 0.03 . 1 . . . . 11 ALA MB . 16868 1 137 . 1 1 11 11 ALA C C 13 180.81 0.2 . 1 . . . . 11 ALA C . 16868 1 138 . 1 1 11 11 ALA CA C 13 55.26 0.2 . 1 . . . . 11 ALA CA . 16868 1 139 . 1 1 11 11 ALA CB C 13 18.38 0.2 . 1 . . . . 11 ALA CB . 16868 1 140 . 1 1 11 11 ALA N N 15 120.29 0.1 . 1 . . . . 11 ALA N . 16868 1 141 . 1 1 12 12 VAL H H 1 8.41 0.03 . 1 . . . . 12 VAL H . 16868 1 142 . 1 1 12 12 VAL HA H 1 3.81 0.03 . 1 . . . . 12 VAL HA . 16868 1 143 . 1 1 12 12 VAL HB H 1 2.02 0.03 . 1 . . . . 12 VAL HB . 16868 1 144 . 1 1 12 12 VAL HG11 H 1 1.02 0.03 . 2 . . . . 12 VAL MG1 . 16868 1 145 . 1 1 12 12 VAL HG12 H 1 1.02 0.03 . 2 . . . . 12 VAL MG1 . 16868 1 146 . 1 1 12 12 VAL HG13 H 1 1.02 0.03 . 2 . . . . 12 VAL MG1 . 16868 1 147 . 1 1 12 12 VAL HG21 H 1 0.86 0.03 . 2 . . . . 12 VAL MG2 . 16868 1 148 . 1 1 12 12 VAL HG22 H 1 0.86 0.03 . 2 . . . . 12 VAL MG2 . 16868 1 149 . 1 1 12 12 VAL HG23 H 1 0.86 0.03 . 2 . . . . 12 VAL MG2 . 16868 1 150 . 1 1 12 12 VAL C C 13 178.30 0.2 . 1 . . . . 12 VAL C . 16868 1 151 . 1 1 12 12 VAL CA C 13 65.64 0.2 . 1 . . . . 12 VAL CA . 16868 1 152 . 1 1 12 12 VAL CB C 13 31.45 0.2 . 1 . . . . 12 VAL CB . 16868 1 153 . 1 1 12 12 VAL CG1 C 13 23.50 0.2 . 2 . . . . 12 VAL CG1 . 16868 1 154 . 1 1 12 12 VAL CG2 C 13 22.60 0.2 . 2 . . . . 12 VAL CG2 . 16868 1 155 . 1 1 12 12 VAL N N 15 116.87 0.1 . 1 . . . . 12 VAL N . 16868 1 156 . 1 1 13 13 SER H H 1 8.16 0.03 . 1 . . . . 13 SER H . 16868 1 157 . 1 1 13 13 SER HA H 1 4.07 0.03 . 1 . . . . 13 SER HA . 16868 1 158 . 1 1 13 13 SER HB2 H 1 3.88 0.03 . 2 . . . . 13 SER HB2 . 16868 1 159 . 1 1 13 13 SER HB3 H 1 3.98 0.03 . 2 . . . . 13 SER HB3 . 16868 1 160 . 1 1 13 13 SER C C 13 176.84 0.2 . 1 . . . . 13 SER C . 16868 1 161 . 1 1 13 13 SER CA C 13 61.86 0.2 . 1 . . . . 13 SER CA . 16868 1 162 . 1 1 13 13 SER CB C 13 62.93 0.2 . 1 . . . . 13 SER CB . 16868 1 163 . 1 1 13 13 SER N N 15 115.81 0.1 . 1 . . . . 13 SER N . 16868 1 164 . 1 1 14 14 ASN H H 1 7.93 0.03 . 1 . . . . 14 ASN H . 16868 1 165 . 1 1 14 14 ASN HA H 1 4.56 0.03 . 1 . . . . 14 ASN HA . 16868 1 166 . 1 1 14 14 ASN HB2 H 1 2.83 0.03 . 2 . . . . 14 ASN HB2 . 16868 1 167 . 1 1 14 14 ASN HB3 H 1 2.96 0.03 . 2 . . . . 14 ASN HB3 . 16868 1 168 . 1 1 14 14 ASN C C 13 176.97 0.2 . 1 . . . . 14 ASN C . 16868 1 169 . 1 1 14 14 ASN CA C 13 55.42 0.2 . 1 . . . . 14 ASN CA . 16868 1 170 . 1 1 14 14 ASN CB C 13 38.76 0.2 . 1 . . . . 14 ASN CB . 16868 1 171 . 1 1 14 14 ASN N N 15 118.34 0.1 . 1 . . . . 14 ASN N . 16868 1 172 . 1 1 15 15 GLU H H 1 8.17 0.03 . 1 . . . . 15 GLU H . 16868 1 173 . 1 1 15 15 GLU HA H 1 4.13 0.03 . 1 . . . . 15 GLU HA . 16868 1 174 . 1 1 15 15 GLU HB2 H 1 1.99 0.03 . 2 . . . . 15 GLU HB2 . 16868 1 175 . 1 1 15 15 GLU HB3 H 1 2.13 0.03 . 2 . . . . 15 GLU HB3 . 16868 1 176 . 1 1 15 15 GLU HG2 H 1 2.23 0.03 . 2 . . . . 15 GLU HG2 . 16868 1 177 . 1 1 15 15 GLU HG3 H 1 2.44 0.03 . 2 . . . . 15 GLU HG3 . 16868 1 178 . 1 1 15 15 GLU C C 13 177.70 0.2 . 1 . . . . 15 GLU C . 16868 1 179 . 1 1 15 15 GLU CA C 13 58.47 0.2 . 1 . . . . 15 GLU CA . 16868 1 180 . 1 1 15 15 GLU CB C 13 30.28 0.2 . 1 . . . . 15 GLU CB . 16868 1 181 . 1 1 15 15 GLU CG C 13 36.30 0.2 . 1 . . . . 15 GLU CG . 16868 1 182 . 1 1 15 15 GLU N N 15 119.24 0.1 . 1 . . . . 15 GLU N . 16868 1 183 . 1 1 16 16 LYS H H 1 8.11 0.03 . 1 . . . . 16 LYS H . 16868 1 184 . 1 1 16 16 LYS HA H 1 4.33 0.03 . 1 . . . . 16 LYS HA . 16868 1 185 . 1 1 16 16 LYS HB2 H 1 1.80 0.03 . 2 . . . . 16 LYS HB2 . 16868 1 186 . 1 1 16 16 LYS HB3 H 1 1.89 0.03 . 2 . . . . 16 LYS HB3 . 16868 1 187 . 1 1 16 16 LYS HD2 H 1 1.65 0.03 . 2 . . . . 16 LYS HD2 . 16868 1 188 . 1 1 16 16 LYS HD3 H 1 1.65 0.03 . 2 . . . . 16 LYS HD3 . 16868 1 189 . 1 1 16 16 LYS HE2 H 1 3.05 0.03 . 2 . . . . 16 LYS HE2 . 16868 1 190 . 1 1 16 16 LYS HE3 H 1 3.05 0.03 . 2 . . . . 16 LYS HE3 . 16868 1 191 . 1 1 16 16 LYS HG2 H 1 1.69 0.03 . 2 . . . . 16 LYS HG2 . 16868 1 192 . 1 1 16 16 LYS HG3 H 1 1.69 0.03 . 2 . . . . 16 LYS HG3 . 16868 1 193 . 1 1 16 16 LYS C C 13 175.47 0.2 . 1 . . . . 16 LYS C . 16868 1 194 . 1 1 16 16 LYS CA C 13 55.29 0.2 . 1 . . . . 16 LYS CA . 16868 1 195 . 1 1 16 16 LYS CB C 13 32.26 0.2 . 1 . . . . 16 LYS CB . 16868 1 196 . 1 1 16 16 LYS CD C 13 30.24 0.2 . 1 . . . . 16 LYS CD . 16868 1 197 . 1 1 16 16 LYS CE C 13 43.64 0.2 . 1 . . . . 16 LYS CE . 16868 1 198 . 1 1 16 16 LYS CG C 13 27.46 0.2 . 1 . . . . 16 LYS CG . 16868 1 199 . 1 1 16 16 LYS N N 15 114.22 0.1 . 1 . . . . 16 LYS N . 16868 1 200 . 1 1 17 17 ALA H H 1 7.87 0.03 . 1 . . . . 17 ALA H . 16868 1 201 . 1 1 17 17 ALA HA H 1 4.26 0.03 . 1 . . . . 17 ALA HA . 16868 1 202 . 1 1 17 17 ALA HB1 H 1 1.37 0.03 . 1 . . . . 17 ALA MB . 16868 1 203 . 1 1 17 17 ALA HB2 H 1 1.37 0.03 . 1 . . . . 17 ALA MB . 16868 1 204 . 1 1 17 17 ALA HB3 H 1 1.37 0.03 . 1 . . . . 17 ALA MB . 16868 1 205 . 1 1 17 17 ALA C C 13 176.50 0.2 . 1 . . . . 17 ALA C . 16868 1 206 . 1 1 17 17 ALA CA C 13 52.87 0.2 . 1 . . . . 17 ALA CA . 16868 1 207 . 1 1 17 17 ALA CB C 13 17.78 0.2 . 1 . . . . 17 ALA CB . 16868 1 208 . 1 1 17 17 ALA N N 15 121.98 0.1 . 1 . . . . 17 ALA N . 16868 1 209 . 1 1 18 18 LEU H H 1 7.39 0.03 . 1 . . . . 18 LEU H . 16868 1 210 . 1 1 18 18 LEU HA H 1 4.83 0.03 . 1 . . . . 18 LEU HA . 16868 1 211 . 1 1 18 18 LEU HB2 H 1 1.25 0.03 . 2 . . . . 18 LEU HB2 . 16868 1 212 . 1 1 18 18 LEU HB3 H 1 1.29 0.03 . 2 . . . . 18 LEU HB3 . 16868 1 213 . 1 1 18 18 LEU HD11 H 1 0.85 0.03 . 2 . . . . 18 LEU MD1 . 16868 1 214 . 1 1 18 18 LEU HD12 H 1 0.85 0.03 . 2 . . . . 18 LEU MD1 . 16868 1 215 . 1 1 18 18 LEU HD13 H 1 0.85 0.03 . 2 . . . . 18 LEU MD1 . 16868 1 216 . 1 1 18 18 LEU HD21 H 1 0.74 0.03 . 2 . . . . 18 LEU MD2 . 16868 1 217 . 1 1 18 18 LEU HD22 H 1 0.74 0.03 . 2 . . . . 18 LEU MD2 . 16868 1 218 . 1 1 18 18 LEU HD23 H 1 0.74 0.03 . 2 . . . . 18 LEU MD2 . 16868 1 219 . 1 1 18 18 LEU HG H 1 1.56 0.03 . 1 . . . . 18 LEU HG . 16868 1 220 . 1 1 18 18 LEU CA C 13 51.54 0.2 . 1 . . . . 18 LEU CA . 16868 1 221 . 1 1 18 18 LEU CB C 13 45.07 0.2 . 1 . . . . 18 LEU CB . 16868 1 222 . 1 1 18 18 LEU CD1 C 13 23.67 0.2 . 2 . . . . 18 LEU CD1 . 16868 1 223 . 1 1 18 18 LEU CD2 C 13 26.05 0.2 . 2 . . . . 18 LEU CD2 . 16868 1 224 . 1 1 18 18 LEU CG C 13 26.41 0.2 . 1 . . . . 18 LEU CG . 16868 1 225 . 1 1 18 18 LEU N N 15 118.13 0.1 . 1 . . . . 18 LEU N . 16868 1 226 . 1 1 19 19 PRO HA H 1 4.47 0.03 . 1 . . . . 19 PRO HA . 16868 1 227 . 1 1 19 19 PRO HB2 H 1 1.89 0.03 . 2 . . . . 19 PRO HB2 . 16868 1 228 . 1 1 19 19 PRO HB3 H 1 2.53 0.03 . 2 . . . . 19 PRO HB3 . 16868 1 229 . 1 1 19 19 PRO HD2 H 1 3.43 0.03 . 2 . . . . 19 PRO HD2 . 16868 1 230 . 1 1 19 19 PRO HD3 H 1 3.98 0.03 . 2 . . . . 19 PRO HD3 . 16868 1 231 . 1 1 19 19 PRO HG2 H 1 2.11 0.03 . 2 . . . . 19 PRO HG2 . 16868 1 232 . 1 1 19 19 PRO HG3 H 1 2.11 0.03 . 2 . . . . 19 PRO HG3 . 16868 1 233 . 1 1 19 19 PRO C C 13 177.98 0.2 . 1 . . . . 19 PRO C . 16868 1 234 . 1 1 19 19 PRO CA C 13 62.35 0.2 . 1 . . . . 19 PRO CA . 16868 1 235 . 1 1 19 19 PRO CB C 13 32.58 0.2 . 1 . . . . 19 PRO CB . 16868 1 236 . 1 1 19 19 PRO CD C 13 50.97 0.2 . 1 . . . . 19 PRO CD . 16868 1 237 . 1 1 19 19 PRO CG C 13 28.06 0.2 . 1 . . . . 19 PRO CG . 16868 1 238 . 1 1 20 20 ARG H H 1 8.83 0.03 . 1 . . . . 20 ARG H . 16868 1 239 . 1 1 20 20 ARG HA H 1 3.75 0.03 . 1 . . . . 20 ARG HA . 16868 1 240 . 1 1 20 20 ARG HB2 H 1 1.87 0.03 . 2 . . . . 20 ARG HB2 . 16868 1 241 . 1 1 20 20 ARG HB3 H 1 1.87 0.03 . 2 . . . . 20 ARG HB3 . 16868 1 242 . 1 1 20 20 ARG HD2 H 1 3.28 0.03 . 2 . . . . 20 ARG HD2 . 16868 1 243 . 1 1 20 20 ARG HD3 H 1 3.41 0.03 . 2 . . . . 20 ARG HD3 . 16868 1 244 . 1 1 20 20 ARG HG2 H 1 1.79 0.03 . 2 . . . . 20 ARG HG2 . 16868 1 245 . 1 1 20 20 ARG HG3 H 1 1.85 0.03 . 2 . . . . 20 ARG HG3 . 16868 1 246 . 1 1 20 20 ARG C C 13 178.71 0.2 . 1 . . . . 20 ARG C . 16868 1 247 . 1 1 20 20 ARG CA C 13 60.73 0.2 . 1 . . . . 20 ARG CA . 16868 1 248 . 1 1 20 20 ARG CB C 13 30.50 0.2 . 1 . . . . 20 ARG CB . 16868 1 249 . 1 1 20 20 ARG CD C 13 43.59 0.2 . 1 . . . . 20 ARG CD . 16868 1 250 . 1 1 20 20 ARG CG C 13 28.76 0.2 . 1 . . . . 20 ARG CG . 16868 1 251 . 1 1 20 20 ARG N N 15 124.26 0.1 . 1 . . . . 20 ARG N . 16868 1 252 . 1 1 21 21 GLU H H 1 9.20 0.03 . 1 . . . . 21 GLU H . 16868 1 253 . 1 1 21 21 GLU HA H 1 4.36 0.03 . 1 . . . . 21 GLU HA . 16868 1 254 . 1 1 21 21 GLU HB2 H 1 2.00 0.03 . 2 . . . . 21 GLU HB2 . 16868 1 255 . 1 1 21 21 GLU HB3 H 1 2.12 0.03 . 2 . . . . 21 GLU HB3 . 16868 1 256 . 1 1 21 21 GLU HG2 H 1 2.34 0.03 . 2 . . . . 21 GLU HG2 . 16868 1 257 . 1 1 21 21 GLU HG3 H 1 2.43 0.03 . 2 . . . . 21 GLU HG3 . 16868 1 258 . 1 1 21 21 GLU C C 13 178.59 0.2 . 1 . . . . 21 GLU C . 16868 1 259 . 1 1 21 21 GLU CA C 13 59.69 0.2 . 1 . . . . 21 GLU CA . 16868 1 260 . 1 1 21 21 GLU CB C 13 29.57 0.2 . 1 . . . . 21 GLU CB . 16868 1 261 . 1 1 21 21 GLU CG C 13 35.58 0.2 . 1 . . . . 21 GLU CG . 16868 1 262 . 1 1 21 21 GLU N N 15 116.96 0.1 . 1 . . . . 21 GLU N . 16868 1 263 . 1 1 22 22 LYS H H 1 7.16 0.03 . 1 . . . . 22 LYS H . 16868 1 264 . 1 1 22 22 LYS HA H 1 4.21 0.03 . 1 . . . . 22 LYS HA . 16868 1 265 . 1 1 22 22 LYS HB2 H 1 1.87 0.03 . 2 . . . . 22 LYS HB2 . 16868 1 266 . 1 1 22 22 LYS HB3 H 1 2.04 0.03 . 2 . . . . 22 LYS HB3 . 16868 1 267 . 1 1 22 22 LYS HD2 H 1 1.51 0.03 . 2 . . . . 22 LYS HD2 . 16868 1 268 . 1 1 22 22 LYS HD3 H 1 1.64 0.03 . 2 . . . . 22 LYS HD3 . 16868 1 269 . 1 1 22 22 LYS HE2 H 1 2.94 0.03 . 2 . . . . 22 LYS HE2 . 16868 1 270 . 1 1 22 22 LYS HE3 H 1 3.02 0.03 . 2 . . . . 22 LYS HE3 . 16868 1 271 . 1 1 22 22 LYS HG2 H 1 1.64 0.03 . 2 . . . . 22 LYS HG2 . 16868 1 272 . 1 1 22 22 LYS HG3 H 1 1.75 0.03 . 2 . . . . 22 LYS HG3 . 16868 1 273 . 1 1 22 22 LYS C C 13 179.34 0.2 . 1 . . . . 22 LYS C . 16868 1 274 . 1 1 22 22 LYS CA C 13 57.29 0.2 . 1 . . . . 22 LYS CA . 16868 1 275 . 1 1 22 22 LYS CB C 13 31.97 0.2 . 1 . . . . 22 LYS CB . 16868 1 276 . 1 1 22 22 LYS CD C 13 28.56 0.2 . 1 . . . . 22 LYS CD . 16868 1 277 . 1 1 22 22 LYS CE C 13 41.81 0.2 . 1 . . . . 22 LYS CE . 16868 1 278 . 1 1 22 22 LYS CG C 13 24.98 0.2 . 1 . . . . 22 LYS CG . 16868 1 279 . 1 1 22 22 LYS N N 15 114.16 0.1 . 1 . . . . 22 LYS N . 16868 1 280 . 1 1 23 23 ILE H H 1 7.69 0.03 . 1 . . . . 23 ILE H . 16868 1 281 . 1 1 23 23 ILE HA H 1 3.58 0.03 . 1 . . . . 23 ILE HA . 16868 1 282 . 1 1 23 23 ILE HB H 1 2.04 0.03 . 1 . . . . 23 ILE HB . 16868 1 283 . 1 1 23 23 ILE HD11 H 1 0.68 0.03 . 1 . . . . 23 ILE MD . 16868 1 284 . 1 1 23 23 ILE HD12 H 1 0.68 0.03 . 1 . . . . 23 ILE MD . 16868 1 285 . 1 1 23 23 ILE HD13 H 1 0.68 0.03 . 1 . . . . 23 ILE MD . 16868 1 286 . 1 1 23 23 ILE HG12 H 1 1.46 0.03 . 2 . . . . 23 ILE HG12 . 16868 1 287 . 1 1 23 23 ILE HG13 H 1 1.46 0.03 . 2 . . . . 23 ILE HG13 . 16868 1 288 . 1 1 23 23 ILE HG21 H 1 0.75 0.03 . 1 . . . . 23 ILE MG . 16868 1 289 . 1 1 23 23 ILE HG22 H 1 0.75 0.03 . 1 . . . . 23 ILE MG . 16868 1 290 . 1 1 23 23 ILE HG23 H 1 0.75 0.03 . 1 . . . . 23 ILE MG . 16868 1 291 . 1 1 23 23 ILE C C 13 178.13 0.2 . 1 . . . . 23 ILE C . 16868 1 292 . 1 1 23 23 ILE CA C 13 64.06 0.2 . 1 . . . . 23 ILE CA . 16868 1 293 . 1 1 23 23 ILE CB C 13 35.94 0.2 . 1 . . . . 23 ILE CB . 16868 1 294 . 1 1 23 23 ILE CD1 C 13 12.27 0.2 . 1 . . . . 23 ILE CD1 . 16868 1 295 . 1 1 23 23 ILE CG1 C 13 27.56 0.2 . 1 . . . . 23 ILE CG1 . 16868 1 296 . 1 1 23 23 ILE CG2 C 13 18.96 0.2 . 1 . . . . 23 ILE CG2 . 16868 1 297 . 1 1 23 23 ILE N N 15 120.55 0.1 . 1 . . . . 23 ILE N . 16868 1 298 . 1 1 24 24 PHE H H 1 8.11 0.03 . 1 . . . . 24 PHE H . 16868 1 299 . 1 1 24 24 PHE HA H 1 3.88 0.03 . 1 . . . . 24 PHE HA . 16868 1 300 . 1 1 24 24 PHE HB2 H 1 2.79 0.03 . 2 . . . . 24 PHE HB2 . 16868 1 301 . 1 1 24 24 PHE HB3 H 1 3.04 0.03 . 2 . . . . 24 PHE HB3 . 16868 1 302 . 1 1 24 24 PHE HD1 H 1 7.07 0.03 . 1 . . . . 24 PHE HD1 . 16868 1 303 . 1 1 24 24 PHE HD2 H 1 7.07 0.03 . 1 . . . . 24 PHE HD2 . 16868 1 304 . 1 1 24 24 PHE HE1 H 1 7.26 0.03 . 1 . . . . 24 PHE HE1 . 16868 1 305 . 1 1 24 24 PHE HE2 H 1 7.26 0.03 . 1 . . . . 24 PHE HE2 . 16868 1 306 . 1 1 24 24 PHE C C 13 178.27 0.2 . 1 . . . . 24 PHE C . 16868 1 307 . 1 1 24 24 PHE CA C 13 64.29 0.2 . 1 . . . . 24 PHE CA . 16868 1 308 . 1 1 24 24 PHE CB C 13 38.66 0.2 . 1 . . . . 24 PHE CB . 16868 1 309 . 1 1 24 24 PHE N N 15 118.07 0.1 . 1 . . . . 24 PHE N . 16868 1 310 . 1 1 25 25 GLU H H 1 8.03 0.03 . 1 . . . . 25 GLU H . 16868 1 311 . 1 1 25 25 GLU HA H 1 4.18 0.03 . 1 . . . . 25 GLU HA . 16868 1 312 . 1 1 25 25 GLU HB2 H 1 1.87 0.03 . 2 . . . . 25 GLU HB2 . 16868 1 313 . 1 1 25 25 GLU HB3 H 1 2.09 0.03 . 2 . . . . 25 GLU HB3 . 16868 1 314 . 1 1 25 25 GLU HG2 H 1 2.12 0.03 . 2 . . . . 25 GLU HG2 . 16868 1 315 . 1 1 25 25 GLU HG3 H 1 2.27 0.03 . 2 . . . . 25 GLU HG3 . 16868 1 316 . 1 1 25 25 GLU C C 13 179.45 0.2 . 1 . . . . 25 GLU C . 16868 1 317 . 1 1 25 25 GLU CA C 13 59.47 0.2 . 1 . . . . 25 GLU CA . 16868 1 318 . 1 1 25 25 GLU CB C 13 30.12 0.2 . 1 . . . . 25 GLU CB . 16868 1 319 . 1 1 25 25 GLU CG C 13 36.40 0.2 . 1 . . . . 25 GLU CG . 16868 1 320 . 1 1 25 25 GLU N N 15 117.18 0.1 . 1 . . . . 25 GLU N . 16868 1 321 . 1 1 26 26 ALA H H 1 7.78 0.03 . 1 . . . . 26 ALA H . 16868 1 322 . 1 1 26 26 ALA HA H 1 4.17 0.03 . 1 . . . . 26 ALA HA . 16868 1 323 . 1 1 26 26 ALA HB1 H 1 1.49 0.03 . 1 . . . . 26 ALA MB . 16868 1 324 . 1 1 26 26 ALA HB2 H 1 1.49 0.03 . 1 . . . . 26 ALA MB . 16868 1 325 . 1 1 26 26 ALA HB3 H 1 1.49 0.03 . 1 . . . . 26 ALA MB . 16868 1 326 . 1 1 26 26 ALA C C 13 180.02 0.2 . 1 . . . . 26 ALA C . 16868 1 327 . 1 1 26 26 ALA CA C 13 54.94 0.2 . 1 . . . . 26 ALA CA . 16868 1 328 . 1 1 26 26 ALA CB C 13 18.57 0.2 . 1 . . . . 26 ALA CB . 16868 1 329 . 1 1 26 26 ALA N N 15 122.49 0.1 . 1 . . . . 26 ALA N . 16868 1 330 . 1 1 27 27 LEU H H 1 8.38 0.03 . 1 . . . . 27 LEU H . 16868 1 331 . 1 1 27 27 LEU HA H 1 3.93 0.03 . 1 . . . . 27 LEU HA . 16868 1 332 . 1 1 27 27 LEU HB2 H 1 1.27 0.03 . 2 . . . . 27 LEU HB2 . 16868 1 333 . 1 1 27 27 LEU HB3 H 1 1.70 0.03 . 2 . . . . 27 LEU HB3 . 16868 1 334 . 1 1 27 27 LEU HD11 H 1 0.82 0.03 . 2 . . . . 27 LEU MD1 . 16868 1 335 . 1 1 27 27 LEU HD12 H 1 0.82 0.03 . 2 . . . . 27 LEU MD1 . 16868 1 336 . 1 1 27 27 LEU HD13 H 1 0.82 0.03 . 2 . . . . 27 LEU MD1 . 16868 1 337 . 1 1 27 27 LEU HD21 H 1 0.61 0.03 . 2 . . . . 27 LEU MD2 . 16868 1 338 . 1 1 27 27 LEU HD22 H 1 0.61 0.03 . 2 . . . . 27 LEU MD2 . 16868 1 339 . 1 1 27 27 LEU HD23 H 1 0.61 0.03 . 2 . . . . 27 LEU MD2 . 16868 1 340 . 1 1 27 27 LEU HG H 1 1.51 0.03 . 1 . . . . 27 LEU HG . 16868 1 341 . 1 1 27 27 LEU C C 13 178.60 0.2 . 1 . . . . 27 LEU C . 16868 1 342 . 1 1 27 27 LEU CA C 13 57.85 0.2 . 1 . . . . 27 LEU CA . 16868 1 343 . 1 1 27 27 LEU CB C 13 41.90 0.2 . 1 . . . . 27 LEU CB . 16868 1 344 . 1 1 27 27 LEU CD1 C 13 25.90 0.2 . 2 . . . . 27 LEU CD1 . 16868 1 345 . 1 1 27 27 LEU CD2 C 13 25.58 0.2 . 2 . . . . 27 LEU CD2 . 16868 1 346 . 1 1 27 27 LEU CG C 13 27.16 0.2 . 1 . . . . 27 LEU CG . 16868 1 347 . 1 1 27 27 LEU N N 15 119.89 0.1 . 1 . . . . 27 LEU N . 16868 1 348 . 1 1 28 28 GLU H H 1 8.57 0.03 . 1 . . . . 28 GLU H . 16868 1 349 . 1 1 28 28 GLU HA H 1 3.54 0.03 . 1 . . . . 28 GLU HA . 16868 1 350 . 1 1 28 28 GLU HB2 H 1 2.06 0.03 . 2 . . . . 28 GLU HB2 . 16868 1 351 . 1 1 28 28 GLU HB3 H 1 2.11 0.03 . 2 . . . . 28 GLU HB3 . 16868 1 352 . 1 1 28 28 GLU HG2 H 1 2.43 0.03 . 2 . . . . 28 GLU HG2 . 16868 1 353 . 1 1 28 28 GLU HG3 H 1 2.69 0.03 . 2 . . . . 28 GLU HG3 . 16868 1 354 . 1 1 28 28 GLU C C 13 179.69 0.2 . 1 . . . . 28 GLU C . 16868 1 355 . 1 1 28 28 GLU CA C 13 60.76 0.2 . 1 . . . . 28 GLU CA . 16868 1 356 . 1 1 28 28 GLU CB C 13 28.96 0.2 . 1 . . . . 28 GLU CB . 16868 1 357 . 1 1 28 28 GLU CG C 13 38.65 0.2 . 1 . . . . 28 GLU CG . 16868 1 358 . 1 1 28 28 GLU N N 15 120.40 0.1 . 1 . . . . 28 GLU N . 16868 1 359 . 1 1 29 29 SER H H 1 7.83 0.03 . 1 . . . . 29 SER H . 16868 1 360 . 1 1 29 29 SER HA H 1 4.30 0.03 . 1 . . . . 29 SER HA . 16868 1 361 . 1 1 29 29 SER HB2 H 1 4.09 0.03 . 2 . . . . 29 SER HB2 . 16868 1 362 . 1 1 29 29 SER HB3 H 1 4.09 0.03 . 2 . . . . 29 SER HB3 . 16868 1 363 . 1 1 29 29 SER C C 13 177.21 0.2 . 1 . . . . 29 SER C . 16868 1 364 . 1 1 29 29 SER CA C 13 61.38 0.2 . 1 . . . . 29 SER CA . 16868 1 365 . 1 1 29 29 SER CB C 13 62.96 0.2 . 1 . . . . 29 SER CB . 16868 1 366 . 1 1 29 29 SER N N 15 114.40 0.1 . 1 . . . . 29 SER N . 16868 1 367 . 1 1 30 30 ALA H H 1 8.43 0.03 . 1 . . . . 30 ALA H . 16868 1 368 . 1 1 30 30 ALA HA H 1 4.15 0.03 . 1 . . . . 30 ALA HA . 16868 1 369 . 1 1 30 30 ALA HB1 H 1 1.47 0.03 . 1 . . . . 30 ALA MB . 16868 1 370 . 1 1 30 30 ALA HB2 H 1 1.47 0.03 . 1 . . . . 30 ALA MB . 16868 1 371 . 1 1 30 30 ALA HB3 H 1 1.47 0.03 . 1 . . . . 30 ALA MB . 16868 1 372 . 1 1 30 30 ALA C C 13 181.09 0.2 . 1 . . . . 30 ALA C . 16868 1 373 . 1 1 30 30 ALA CA C 13 55.17 0.2 . 1 . . . . 30 ALA CA . 16868 1 374 . 1 1 30 30 ALA CB C 13 18.28 0.2 . 1 . . . . 30 ALA CB . 16868 1 375 . 1 1 30 30 ALA N N 15 123.85 0.1 . 1 . . . . 30 ALA N . 16868 1 376 . 1 1 31 31 LEU H H 1 8.86 0.03 . 1 . . . . 31 LEU H . 16868 1 377 . 1 1 31 31 LEU HA H 1 3.97 0.03 . 1 . . . . 31 LEU HA . 16868 1 378 . 1 1 31 31 LEU HB2 H 1 1.11 0.03 . 2 . . . . 31 LEU HB2 . 16868 1 379 . 1 1 31 31 LEU HB3 H 1 1.73 0.03 . 2 . . . . 31 LEU HB3 . 16868 1 380 . 1 1 31 31 LEU HD11 H 1 0.50 0.03 . 2 . . . . 31 LEU MD1 . 16868 1 381 . 1 1 31 31 LEU HD12 H 1 0.50 0.03 . 2 . . . . 31 LEU MD1 . 16868 1 382 . 1 1 31 31 LEU HD13 H 1 0.50 0.03 . 2 . . . . 31 LEU MD1 . 16868 1 383 . 1 1 31 31 LEU HD21 H 1 -0.27 0.03 . 2 . . . . 31 LEU MD2 . 16868 1 384 . 1 1 31 31 LEU HD22 H 1 -0.27 0.03 . 2 . . . . 31 LEU MD2 . 16868 1 385 . 1 1 31 31 LEU HD23 H 1 -0.27 0.03 . 2 . . . . 31 LEU MD2 . 16868 1 386 . 1 1 31 31 LEU HG H 1 1.46 0.03 . 1 . . . . 31 LEU HG . 16868 1 387 . 1 1 31 31 LEU C C 13 180.17 0.2 . 1 . . . . 31 LEU C . 16868 1 388 . 1 1 31 31 LEU CA C 13 57.49 0.2 . 1 . . . . 31 LEU CA . 16868 1 389 . 1 1 31 31 LEU CB C 13 41.97 0.2 . 1 . . . . 31 LEU CB . 16868 1 390 . 1 1 31 31 LEU CD1 C 13 22.45 0.2 . 2 . . . . 31 LEU CD1 . 16868 1 391 . 1 1 31 31 LEU CD2 C 13 23.85 0.2 . 2 . . . . 31 LEU CD2 . 16868 1 392 . 1 1 31 31 LEU CG C 13 27.25 0.2 . 1 . . . . 31 LEU CG . 16868 1 393 . 1 1 31 31 LEU N N 15 119.51 0.1 . 1 . . . . 31 LEU N . 16868 1 394 . 1 1 32 32 ALA H H 1 8.46 0.03 . 1 . . . . 32 ALA H . 16868 1 395 . 1 1 32 32 ALA HA H 1 3.85 0.03 . 1 . . . . 32 ALA HA . 16868 1 396 . 1 1 32 32 ALA HB1 H 1 1.55 0.03 . 1 . . . . 32 ALA MB . 16868 1 397 . 1 1 32 32 ALA HB2 H 1 1.55 0.03 . 1 . . . . 32 ALA MB . 16868 1 398 . 1 1 32 32 ALA HB3 H 1 1.55 0.03 . 1 . . . . 32 ALA MB . 16868 1 399 . 1 1 32 32 ALA C C 13 179.49 0.2 . 1 . . . . 32 ALA C . 16868 1 400 . 1 1 32 32 ALA CA C 13 56.26 0.2 . 1 . . . . 32 ALA CA . 16868 1 401 . 1 1 32 32 ALA CB C 13 17.57 0.2 . 1 . . . . 32 ALA CB . 16868 1 402 . 1 1 32 32 ALA N N 15 127.66 0.1 . 1 . . . . 32 ALA N . 16868 1 403 . 1 1 33 33 THR H H 1 8.29 0.03 . 1 . . . . 33 THR H . 16868 1 404 . 1 1 33 33 THR HA H 1 3.81 0.03 . 1 . . . . 33 THR HA . 16868 1 405 . 1 1 33 33 THR HB H 1 4.32 0.03 . 1 . . . . 33 THR HB . 16868 1 406 . 1 1 33 33 THR HG21 H 1 1.26 0.03 . 1 . . . . 33 THR MG . 16868 1 407 . 1 1 33 33 THR HG22 H 1 1.26 0.03 . 1 . . . . 33 THR MG . 16868 1 408 . 1 1 33 33 THR HG23 H 1 1.26 0.03 . 1 . . . . 33 THR MG . 16868 1 409 . 1 1 33 33 THR C C 13 176.35 0.2 . 1 . . . . 33 THR C . 16868 1 410 . 1 1 33 33 THR CA C 13 67.40 0.2 . 1 . . . . 33 THR CA . 16868 1 411 . 1 1 33 33 THR CB C 13 68.72 0.2 . 1 . . . . 33 THR CB . 16868 1 412 . 1 1 33 33 THR N N 15 117.10 0.1 . 1 . . . . 33 THR N . 16868 1 413 . 1 1 34 34 ALA H H 1 8.11 0.03 . 1 . . . . 34 ALA H . 16868 1 414 . 1 1 34 34 ALA HA H 1 4.10 0.03 . 1 . . . . 34 ALA HA . 16868 1 415 . 1 1 34 34 ALA HB1 H 1 1.53 0.03 . 1 . . . . 34 ALA MB . 16868 1 416 . 1 1 34 34 ALA HB2 H 1 1.53 0.03 . 1 . . . . 34 ALA MB . 16868 1 417 . 1 1 34 34 ALA HB3 H 1 1.53 0.03 . 1 . . . . 34 ALA MB . 16868 1 418 . 1 1 34 34 ALA C C 13 180.07 0.2 . 1 . . . . 34 ALA C . 16868 1 419 . 1 1 34 34 ALA CA C 13 55.13 0.2 . 1 . . . . 34 ALA CA . 16868 1 420 . 1 1 34 34 ALA CB C 13 18.31 0.2 . 1 . . . . 34 ALA CB . 16868 1 421 . 1 1 34 34 ALA N N 15 122.91 0.1 . 1 . . . . 34 ALA N . 16868 1 422 . 1 1 35 35 THR H H 1 8.05 0.03 . 1 . . . . 35 THR H . 16868 1 423 . 1 1 35 35 THR HA H 1 3.88 0.03 . 1 . . . . 35 THR HA . 16868 1 424 . 1 1 35 35 THR HB H 1 4.26 0.03 . 1 . . . . 35 THR HB . 16868 1 425 . 1 1 35 35 THR HG21 H 1 1.33 0.03 . 1 . . . . 35 THR MG . 16868 1 426 . 1 1 35 35 THR HG22 H 1 1.33 0.03 . 1 . . . . 35 THR MG . 16868 1 427 . 1 1 35 35 THR HG23 H 1 1.33 0.03 . 1 . . . . 35 THR MG . 16868 1 428 . 1 1 35 35 THR C C 13 176.25 0.2 . 1 . . . . 35 THR C . 16868 1 429 . 1 1 35 35 THR CA C 13 67.11 0.2 . 1 . . . . 35 THR CA . 16868 1 430 . 1 1 35 35 THR CB C 13 68.68 0.2 . 1 . . . . 35 THR CB . 16868 1 431 . 1 1 35 35 THR N N 15 115.68 0.1 . 1 . . . . 35 THR N . 16868 1 432 . 1 1 36 36 LYS H H 1 8.03 0.03 . 1 . . . . 36 LYS H . 16868 1 433 . 1 1 36 36 LYS HA H 1 3.79 0.03 . 1 . . . . 36 LYS HA . 16868 1 434 . 1 1 36 36 LYS HB2 H 1 1.86 0.03 . 2 . . . . 36 LYS HB2 . 16868 1 435 . 1 1 36 36 LYS HB3 H 1 1.86 0.03 . 2 . . . . 36 LYS HB3 . 16868 1 436 . 1 1 36 36 LYS HD2 H 1 1.27 0.03 . 2 . . . . 36 LYS HD2 . 16868 1 437 . 1 1 36 36 LYS HD3 H 1 1.27 0.03 . 2 . . . . 36 LYS HD3 . 16868 1 438 . 1 1 36 36 LYS HE2 H 1 2.76 0.03 . 2 . . . . 36 LYS HE2 . 16868 1 439 . 1 1 36 36 LYS HE3 H 1 2.84 0.03 . 2 . . . . 36 LYS HE3 . 16868 1 440 . 1 1 36 36 LYS HG2 H 1 1.61 0.03 . 2 . . . . 36 LYS HG2 . 16868 1 441 . 1 1 36 36 LYS HG3 H 1 1.61 0.03 . 2 . . . . 36 LYS HG3 . 16868 1 442 . 1 1 36 36 LYS C C 13 179.10 0.2 . 1 . . . . 36 LYS C . 16868 1 443 . 1 1 36 36 LYS CA C 13 60.63 0.2 . 1 . . . . 36 LYS CA . 16868 1 444 . 1 1 36 36 LYS CB C 13 32.49 0.2 . 1 . . . . 36 LYS CB . 16868 1 445 . 1 1 36 36 LYS CD C 13 29.34 0.2 . 1 . . . . 36 LYS CD . 16868 1 446 . 1 1 36 36 LYS CE C 13 41.74 0.2 . 1 . . . . 36 LYS CE . 16868 1 447 . 1 1 36 36 LYS CG C 13 26.06 0.2 . 1 . . . . 36 LYS CG . 16868 1 448 . 1 1 36 36 LYS N N 15 120.23 0.1 . 1 . . . . 36 LYS N . 16868 1 449 . 1 1 37 37 LYS H H 1 7.45 0.03 . 1 . . . . 37 LYS H . 16868 1 450 . 1 1 37 37 LYS HA H 1 4.21 0.03 . 1 . . . . 37 LYS HA . 16868 1 451 . 1 1 37 37 LYS HB2 H 1 1.90 0.03 . 2 . . . . 37 LYS HB2 . 16868 1 452 . 1 1 37 37 LYS HB3 H 1 1.99 0.03 . 2 . . . . 37 LYS HB3 . 16868 1 453 . 1 1 37 37 LYS HD2 H 1 1.53 0.03 . 2 . . . . 37 LYS HD2 . 16868 1 454 . 1 1 37 37 LYS HD3 H 1 1.66 0.03 . 2 . . . . 37 LYS HD3 . 16868 1 455 . 1 1 37 37 LYS HE2 H 1 3.04 0.03 . 2 . . . . 37 LYS HE2 . 16868 1 456 . 1 1 37 37 LYS HE3 H 1 2.94 0.03 . 2 . . . . 37 LYS HE3 . 16868 1 457 . 1 1 37 37 LYS HG2 H 1 1.68 0.03 . 2 . . . . 37 LYS HG2 . 16868 1 458 . 1 1 37 37 LYS HG3 H 1 1.68 0.03 . 2 . . . . 37 LYS HG3 . 16868 1 459 . 1 1 37 37 LYS C C 13 177.70 0.2 . 1 . . . . 37 LYS C . 16868 1 460 . 1 1 37 37 LYS CA C 13 58.08 0.2 . 1 . . . . 37 LYS CA . 16868 1 461 . 1 1 37 37 LYS CB C 13 32.29 0.2 . 1 . . . . 37 LYS CB . 16868 1 462 . 1 1 37 37 LYS CD C 13 28.49 0.2 . 1 . . . . 37 LYS CD . 16868 1 463 . 1 1 37 37 LYS CE C 13 41.87 0.2 . 1 . . . . 37 LYS CE . 16868 1 464 . 1 1 37 37 LYS CG C 13 25.05 0.2 . 1 . . . . 37 LYS CG . 16868 1 465 . 1 1 37 37 LYS N N 15 115.87 0.1 . 1 . . . . 37 LYS N . 16868 1 466 . 1 1 38 38 LYS H H 1 7.60 0.03 . 1 . . . . 38 LYS H . 16868 1 467 . 1 1 38 38 LYS HA H 1 4.11 0.03 . 1 . . . . 38 LYS HA . 16868 1 468 . 1 1 38 38 LYS HB2 H 1 1.89 0.03 . 2 . . . . 38 LYS HB2 . 16868 1 469 . 1 1 38 38 LYS HB3 H 1 1.79 0.03 . 2 . . . . 38 LYS HB3 . 16868 1 470 . 1 1 38 38 LYS HD2 H 1 1.34 0.03 . 2 . . . . 38 LYS HD2 . 16868 1 471 . 1 1 38 38 LYS HD3 H 1 1.53 0.03 . 2 . . . . 38 LYS HD3 . 16868 1 472 . 1 1 38 38 LYS HE2 H 1 2.90 0.03 . 2 . . . . 38 LYS HE2 . 16868 1 473 . 1 1 38 38 LYS HE3 H 1 2.90 0.03 . 2 . . . . 38 LYS HE3 . 16868 1 474 . 1 1 38 38 LYS HG2 H 1 1.64 0.03 . 2 . . . . 38 LYS HG2 . 16868 1 475 . 1 1 38 38 LYS HG3 H 1 1.64 0.03 . 2 . . . . 38 LYS HG3 . 16868 1 476 . 1 1 38 38 LYS C C 13 176.07 0.2 . 1 . . . . 38 LYS C . 16868 1 477 . 1 1 38 38 LYS CA C 13 56.75 0.2 . 1 . . . . 38 LYS CA . 16868 1 478 . 1 1 38 38 LYS CB C 13 31.90 0.2 . 1 . . . . 38 LYS CB . 16868 1 479 . 1 1 38 38 LYS CD C 13 28.68 0.2 . 1 . . . . 38 LYS CD . 16868 1 480 . 1 1 38 38 LYS CE C 13 41.87 0.2 . 1 . . . . 38 LYS CE . 16868 1 481 . 1 1 38 38 LYS CG C 13 24.79 0.2 . 1 . . . . 38 LYS CG . 16868 1 482 . 1 1 38 38 LYS N N 15 117.03 0.1 . 1 . . . . 38 LYS N . 16868 1 483 . 1 1 39 39 TYR H H 1 7.55 0.03 . 1 . . . . 39 TYR H . 16868 1 484 . 1 1 39 39 TYR HA H 1 4.48 0.03 . 1 . . . . 39 TYR HA . 16868 1 485 . 1 1 39 39 TYR HB2 H 1 2.85 0.03 . 2 . . . . 39 TYR HB2 . 16868 1 486 . 1 1 39 39 TYR HB3 H 1 3.16 0.03 . 2 . . . . 39 TYR HB3 . 16868 1 487 . 1 1 39 39 TYR HD1 H 1 7.26 0.03 . 1 . . . . 39 TYR HD1 . 16868 1 488 . 1 1 39 39 TYR HD2 H 1 7.26 0.03 . 1 . . . . 39 TYR HD2 . 16868 1 489 . 1 1 39 39 TYR HE1 H 1 6.73 0.03 . 1 . . . . 39 TYR HE1 . 16868 1 490 . 1 1 39 39 TYR HE2 H 1 6.73 0.03 . 1 . . . . 39 TYR HE2 . 16868 1 491 . 1 1 39 39 TYR C C 13 175.05 0.2 . 1 . . . . 39 TYR C . 16868 1 492 . 1 1 39 39 TYR CA C 13 58.08 0.2 . 1 . . . . 39 TYR CA . 16868 1 493 . 1 1 39 39 TYR CB C 13 40.57 0.2 . 1 . . . . 39 TYR CB . 16868 1 494 . 1 1 39 39 TYR N N 15 118.46 0.1 . 1 . . . . 39 TYR N . 16868 1 495 . 1 1 40 40 GLU H H 1 8.54 0.03 . 1 . . . . 40 GLU H . 16868 1 496 . 1 1 40 40 GLU HA H 1 4.11 0.03 . 1 . . . . 40 GLU HA . 16868 1 497 . 1 1 40 40 GLU C C 13 177.39 0.2 . 1 . . . . 40 GLU C . 16868 1 498 . 1 1 40 40 GLU CA C 13 57.72 0.2 . 1 . . . . 40 GLU CA . 16868 1 499 . 1 1 40 40 GLU CB C 13 29.86 0.2 . 1 . . . . 40 GLU CB . 16868 1 500 . 1 1 40 40 GLU CG C 13 36.62 0.2 . 1 . . . . 40 GLU CG . 16868 1 501 . 1 1 40 40 GLU N N 15 120.30 0.1 . 1 . . . . 40 GLU N . 16868 1 502 . 1 1 41 41 GLN H H 1 7.88 0.03 . 1 . . . . 41 GLN H . 16868 1 503 . 1 1 41 41 GLN HA H 1 4.42 0.03 . 1 . . . . 41 GLN HA . 16868 1 504 . 1 1 41 41 GLN HB2 H 1 1.94 0.03 . 2 . . . . 41 GLN HB2 . 16868 1 505 . 1 1 41 41 GLN HB3 H 1 2.29 0.03 . 2 . . . . 41 GLN HB3 . 16868 1 506 . 1 1 41 41 GLN HG2 H 1 2.42 0.03 . 2 . . . . 41 GLN HG2 . 16868 1 507 . 1 1 41 41 GLN HG3 H 1 2.42 0.03 . 2 . . . . 41 GLN HG3 . 16868 1 508 . 1 1 41 41 GLN C C 13 175.16 0.2 . 1 . . . . 41 GLN C . 16868 1 509 . 1 1 41 41 GLN CA C 13 54.81 0.2 . 1 . . . . 41 GLN CA . 16868 1 510 . 1 1 41 41 GLN CB C 13 30.61 0.2 . 1 . . . . 41 GLN CB . 16868 1 511 . 1 1 41 41 GLN CG C 13 34.28 0.2 . 1 . . . . 41 GLN CG . 16868 1 512 . 1 1 41 41 GLN N N 15 116.23 0.1 . 1 . . . . 41 GLN N . 16868 1 513 . 1 1 42 42 GLU H H 1 8.58 0.03 . 1 . . . . 42 GLU H . 16868 1 514 . 1 1 42 42 GLU HA H 1 4.18 0.03 . 1 . . . . 42 GLU HA . 16868 1 515 . 1 1 42 42 GLU HB2 H 1 1.86 0.03 . 2 . . . . 42 GLU HB2 . 16868 1 516 . 1 1 42 42 GLU HB3 H 1 1.86 0.03 . 2 . . . . 42 GLU HB3 . 16868 1 517 . 1 1 42 42 GLU HG2 H 1 2.34 0.03 . 2 . . . . 42 GLU HG2 . 16868 1 518 . 1 1 42 42 GLU HG3 H 1 2.34 0.03 . 2 . . . . 42 GLU HG3 . 16868 1 519 . 1 1 42 42 GLU C C 13 175.58 0.2 . 1 . . . . 42 GLU C . 16868 1 520 . 1 1 42 42 GLU CA C 13 56.72 0.2 . 1 . . . . 42 GLU CA . 16868 1 521 . 1 1 42 42 GLU CB C 13 28.96 0.2 . 1 . . . . 42 GLU CB . 16868 1 522 . 1 1 42 42 GLU CG C 13 35.95 0.2 . 1 . . . . 42 GLU CG . 16868 1 523 . 1 1 42 42 GLU N N 15 121.50 0.1 . 1 . . . . 42 GLU N . 16868 1 524 . 1 1 43 43 ILE H H 1 7.45 0.03 . 1 . . . . 43 ILE H . 16868 1 525 . 1 1 43 43 ILE HA H 1 4.41 0.03 . 1 . . . . 43 ILE HA . 16868 1 526 . 1 1 43 43 ILE HB H 1 1.52 0.03 . 1 . . . . 43 ILE HB . 16868 1 527 . 1 1 43 43 ILE HD11 H 1 -0.11 0.03 . 1 . . . . 43 ILE MD . 16868 1 528 . 1 1 43 43 ILE HD12 H 1 -0.11 0.03 . 1 . . . . 43 ILE MD . 16868 1 529 . 1 1 43 43 ILE HD13 H 1 -0.11 0.03 . 1 . . . . 43 ILE MD . 16868 1 530 . 1 1 43 43 ILE HG12 H 1 0.87 0.03 . 2 . . . . 43 ILE HG12 . 16868 1 531 . 1 1 43 43 ILE HG13 H 1 0.87 0.03 . 2 . . . . 43 ILE HG13 . 16868 1 532 . 1 1 43 43 ILE HG21 H 1 0.53 0.03 . 1 . . . . 43 ILE MG . 16868 1 533 . 1 1 43 43 ILE HG22 H 1 0.53 0.03 . 1 . . . . 43 ILE MG . 16868 1 534 . 1 1 43 43 ILE HG23 H 1 0.53 0.03 . 1 . . . . 43 ILE MG . 16868 1 535 . 1 1 43 43 ILE C C 13 173.39 0.2 . 1 . . . . 43 ILE C . 16868 1 536 . 1 1 43 43 ILE CA C 13 59.31 0.2 . 1 . . . . 43 ILE CA . 16868 1 537 . 1 1 43 43 ILE CB C 13 41.38 0.2 . 1 . . . . 43 ILE CB . 16868 1 538 . 1 1 43 43 ILE CD1 C 13 14.23 0.2 . 1 . . . . 43 ILE CD1 . 16868 1 539 . 1 1 43 43 ILE CG1 C 13 25.22 0.2 . 1 . . . . 43 ILE CG1 . 16868 1 540 . 1 1 43 43 ILE CG2 C 13 16.93 0.2 . 1 . . . . 43 ILE CG2 . 16868 1 541 . 1 1 43 43 ILE N N 15 118.78 0.1 . 1 . . . . 43 ILE N . 16868 1 542 . 1 1 44 44 ASP H H 1 8.43 0.03 . 1 . . . . 44 ASP H . 16868 1 543 . 1 1 44 44 ASP HA H 1 4.89 0.03 . 1 . . . . 44 ASP HA . 16868 1 544 . 1 1 44 44 ASP HB2 H 1 2.48 0.03 . 2 . . . . 44 ASP HB2 . 16868 1 545 . 1 1 44 44 ASP HB3 H 1 2.94 0.03 . 2 . . . . 44 ASP HB3 . 16868 1 546 . 1 1 44 44 ASP C C 13 175.51 0.2 . 1 . . . . 44 ASP C . 16868 1 547 . 1 1 44 44 ASP CA C 13 52.83 0.2 . 1 . . . . 44 ASP CA . 16868 1 548 . 1 1 44 44 ASP CB C 13 43.35 0.2 . 1 . . . . 44 ASP CB . 16868 1 549 . 1 1 44 44 ASP N N 15 122.56 0.1 . 1 . . . . 44 ASP N . 16868 1 550 . 1 1 45 45 VAL H H 1 7.77 0.03 . 1 . . . . 45 VAL H . 16868 1 551 . 1 1 45 45 VAL HA H 1 5.25 0.03 . 1 . . . . 45 VAL HA . 16868 1 552 . 1 1 45 45 VAL HB H 1 1.68 0.03 . 1 . . . . 45 VAL HB . 16868 1 553 . 1 1 45 45 VAL HG11 H 1 0.81 0.03 . 2 . . . . 45 VAL MG1 . 16868 1 554 . 1 1 45 45 VAL HG12 H 1 0.81 0.03 . 2 . . . . 45 VAL MG1 . 16868 1 555 . 1 1 45 45 VAL HG13 H 1 0.81 0.03 . 2 . . . . 45 VAL MG1 . 16868 1 556 . 1 1 45 45 VAL HG21 H 1 0.69 0.03 . 2 . . . . 45 VAL MG2 . 16868 1 557 . 1 1 45 45 VAL HG22 H 1 0.69 0.03 . 2 . . . . 45 VAL MG2 . 16868 1 558 . 1 1 45 45 VAL HG23 H 1 0.69 0.03 . 2 . . . . 45 VAL MG2 . 16868 1 559 . 1 1 45 45 VAL C C 13 173.80 0.2 . 1 . . . . 45 VAL C . 16868 1 560 . 1 1 45 45 VAL CA C 13 59.08 0.2 . 1 . . . . 45 VAL CA . 16868 1 561 . 1 1 45 45 VAL CB C 13 36.85 0.2 . 1 . . . . 45 VAL CB . 16868 1 562 . 1 1 45 45 VAL CG1 C 13 22.51 0.2 . 2 . . . . 45 VAL CG1 . 16868 1 563 . 1 1 45 45 VAL CG2 C 13 22.08 0.2 . 2 . . . . 45 VAL CG2 . 16868 1 564 . 1 1 45 45 VAL N N 15 121.34 0.1 . 1 . . . . 45 VAL N . 16868 1 565 . 1 1 46 46 ARG H H 1 9.17 0.03 . 1 . . . . 46 ARG H . 16868 1 566 . 1 1 46 46 ARG HA H 1 4.68 0.03 . 1 . . . . 46 ARG HA . 16868 1 567 . 1 1 46 46 ARG HB2 H 1 1.36 0.03 . 2 . . . . 46 ARG HB2 . 16868 1 568 . 1 1 46 46 ARG HB3 H 1 1.61 0.03 . 2 . . . . 46 ARG HB3 . 16868 1 569 . 1 1 46 46 ARG HD2 H 1 2.57 0.03 . 2 . . . . 46 ARG HD2 . 16868 1 570 . 1 1 46 46 ARG HD3 H 1 3.23 0.03 . 2 . . . . 46 ARG HD3 . 16868 1 571 . 1 1 46 46 ARG HG2 H 1 1.14 0.03 . 2 . . . . 46 ARG HG2 . 16868 1 572 . 1 1 46 46 ARG HG3 H 1 1.45 0.03 . 2 . . . . 46 ARG HG3 . 16868 1 573 . 1 1 46 46 ARG C C 13 173.29 0.2 . 1 . . . . 46 ARG C . 16868 1 574 . 1 1 46 46 ARG CA C 13 54.84 0.2 . 1 . . . . 46 ARG CA . 16868 1 575 . 1 1 46 46 ARG CB C 13 34.81 0.2 . 1 . . . . 46 ARG CB . 16868 1 576 . 1 1 46 46 ARG CD C 13 42.75 0.2 . 1 . . . . 46 ARG CD . 16868 1 577 . 1 1 46 46 ARG CG C 13 28.27 0.2 . 1 . . . . 46 ARG CG . 16868 1 578 . 1 1 46 46 ARG N N 15 125.23 0.1 . 1 . . . . 46 ARG N . 16868 1 579 . 1 1 47 47 VAL H H 1 8.97 0.03 . 1 . . . . 47 VAL H . 16868 1 580 . 1 1 47 47 VAL HA H 1 4.97 0.03 . 1 . . . . 47 VAL HA . 16868 1 581 . 1 1 47 47 VAL HB H 1 1.98 0.03 . 1 . . . . 47 VAL HB . 16868 1 582 . 1 1 47 47 VAL HG11 H 1 0.89 0.03 . 2 . . . . 47 VAL MG1 . 16868 1 583 . 1 1 47 47 VAL HG12 H 1 0.89 0.03 . 2 . . . . 47 VAL MG1 . 16868 1 584 . 1 1 47 47 VAL HG13 H 1 0.89 0.03 . 2 . . . . 47 VAL MG1 . 16868 1 585 . 1 1 47 47 VAL HG21 H 1 0.86 0.03 . 2 . . . . 47 VAL MG2 . 16868 1 586 . 1 1 47 47 VAL HG22 H 1 0.86 0.03 . 2 . . . . 47 VAL MG2 . 16868 1 587 . 1 1 47 47 VAL HG23 H 1 0.86 0.03 . 2 . . . . 47 VAL MG2 . 16868 1 588 . 1 1 47 47 VAL C C 13 174.09 0.2 . 1 . . . . 47 VAL C . 16868 1 589 . 1 1 47 47 VAL CA C 13 60.89 0.2 . 1 . . . . 47 VAL CA . 16868 1 590 . 1 1 47 47 VAL CB C 13 34.13 0.2 . 1 . . . . 47 VAL CB . 16868 1 591 . 1 1 47 47 VAL CG1 C 13 22.31 0.2 . 2 . . . . 47 VAL CG1 . 16868 1 592 . 1 1 47 47 VAL CG2 C 13 21.50 0.2 . 2 . . . . 47 VAL CG2 . 16868 1 593 . 1 1 47 47 VAL N N 15 126.84 0.1 . 1 . . . . 47 VAL N . 16868 1 594 . 1 1 48 48 GLN H H 1 9.04 0.03 . 1 . . . . 48 GLN H . 16868 1 595 . 1 1 48 48 GLN HA H 1 4.96 0.03 . 1 . . . . 48 GLN HA . 16868 1 596 . 1 1 48 48 GLN HB2 H 1 1.91 0.03 . 2 . . . . 48 GLN HB2 . 16868 1 597 . 1 1 48 48 GLN HB3 H 1 2.15 0.03 . 2 . . . . 48 GLN HB3 . 16868 1 598 . 1 1 48 48 GLN HG2 H 1 2.20 0.03 . 2 . . . . 48 GLN HG2 . 16868 1 599 . 1 1 48 48 GLN HG3 H 1 2.38 0.03 . 2 . . . . 48 GLN HG3 . 16868 1 600 . 1 1 48 48 GLN C C 13 175.58 0.2 . 1 . . . . 48 GLN C . 16868 1 601 . 1 1 48 48 GLN CA C 13 53.48 0.2 . 1 . . . . 48 GLN CA . 16868 1 602 . 1 1 48 48 GLN CB C 13 32.58 0.2 . 1 . . . . 48 GLN CB . 16868 1 603 . 1 1 48 48 GLN CG C 13 33.67 0.2 . 1 . . . . 48 GLN CG . 16868 1 604 . 1 1 48 48 GLN N N 15 126.70 0.1 . 1 . . . . 48 GLN N . 16868 1 605 . 1 1 49 49 ILE H H 1 10.06 0.03 . 1 . . . . 49 ILE H . 16868 1 606 . 1 1 49 49 ILE HA H 1 4.47 0.03 . 1 . . . . 49 ILE HA . 16868 1 607 . 1 1 49 49 ILE HB H 1 1.61 0.03 . 1 . . . . 49 ILE HB . 16868 1 608 . 1 1 49 49 ILE HD11 H 1 0.81 0.03 . 1 . . . . 49 ILE MD . 16868 1 609 . 1 1 49 49 ILE HD12 H 1 0.81 0.03 . 1 . . . . 49 ILE MD . 16868 1 610 . 1 1 49 49 ILE HD13 H 1 0.81 0.03 . 1 . . . . 49 ILE MD . 16868 1 611 . 1 1 49 49 ILE HG12 H 1 1.36 0.03 . 2 . . . . 49 ILE HG12 . 16868 1 612 . 1 1 49 49 ILE HG13 H 1 1.36 0.03 . 2 . . . . 49 ILE HG13 . 16868 1 613 . 1 1 49 49 ILE HG21 H 1 0.93 0.03 . 1 . . . . 49 ILE MG . 16868 1 614 . 1 1 49 49 ILE HG22 H 1 0.93 0.03 . 1 . . . . 49 ILE MG . 16868 1 615 . 1 1 49 49 ILE HG23 H 1 0.93 0.03 . 1 . . . . 49 ILE MG . 16868 1 616 . 1 1 49 49 ILE C C 13 176.13 0.2 . 1 . . . . 49 ILE C . 16868 1 617 . 1 1 49 49 ILE CA C 13 60.60 0.2 . 1 . . . . 49 ILE CA . 16868 1 618 . 1 1 49 49 ILE CB C 13 40.41 0.2 . 1 . . . . 49 ILE CB . 16868 1 619 . 1 1 49 49 ILE CD1 C 13 16.04 0.2 . 1 . . . . 49 ILE CD1 . 16868 1 620 . 1 1 49 49 ILE CG1 C 13 28.41 0.2 . 1 . . . . 49 ILE CG1 . 16868 1 621 . 1 1 49 49 ILE CG2 C 13 18.26 0.2 . 1 . . . . 49 ILE CG2 . 16868 1 622 . 1 1 49 49 ILE N N 15 129.33 0.1 . 1 . . . . 49 ILE N . 16868 1 623 . 1 1 50 50 ASP H H 1 9.38 0.03 . 1 . . . . 50 ASP H . 16868 1 624 . 1 1 50 50 ASP HA H 1 4.45 0.03 . 1 . . . . 50 ASP HA . 16868 1 625 . 1 1 50 50 ASP HB2 H 1 2.54 0.03 . 2 . . . . 50 ASP HB2 . 16868 1 626 . 1 1 50 50 ASP HB3 H 1 3.18 0.03 . 2 . . . . 50 ASP HB3 . 16868 1 627 . 1 1 50 50 ASP C C 13 176.68 0.2 . 1 . . . . 50 ASP C . 16868 1 628 . 1 1 50 50 ASP CA C 13 55.06 0.2 . 1 . . . . 50 ASP CA . 16868 1 629 . 1 1 50 50 ASP CB C 13 42.42 0.2 . 1 . . . . 50 ASP CB . 16868 1 630 . 1 1 50 50 ASP N N 15 131.02 0.1 . 1 . . . . 50 ASP N . 16868 1 631 . 1 1 51 51 ARG H H 1 8.50 0.03 . 1 . . . . 51 ARG H . 16868 1 632 . 1 1 51 51 ARG HA H 1 3.20 0.03 . 1 . . . . 51 ARG HA . 16868 1 633 . 1 1 51 51 ARG HB2 H 1 1.55 0.03 . 2 . . . . 51 ARG HB2 . 16868 1 634 . 1 1 51 51 ARG HB3 H 1 1.57 0.03 . 2 . . . . 51 ARG HB3 . 16868 1 635 . 1 1 51 51 ARG HD2 H 1 1.98 0.03 . 2 . . . . 51 ARG HD2 . 16868 1 636 . 1 1 51 51 ARG HD3 H 1 2.22 0.03 . 2 . . . . 51 ARG HD3 . 16868 1 637 . 1 1 51 51 ARG HG2 H 1 0.98 0.03 . 2 . . . . 51 ARG HG2 . 16868 1 638 . 1 1 51 51 ARG HG3 H 1 1.27 0.03 . 2 . . . . 51 ARG HG3 . 16868 1 639 . 1 1 51 51 ARG C C 13 176.14 0.2 . 1 . . . . 51 ARG C . 16868 1 640 . 1 1 51 51 ARG CA C 13 56.75 0.2 . 1 . . . . 51 ARG CA . 16868 1 641 . 1 1 51 51 ARG CB C 13 29.80 0.2 . 1 . . . . 51 ARG CB . 16868 1 642 . 1 1 51 51 ARG CD C 13 42.24 0.2 . 1 . . . . 51 ARG CD . 16868 1 643 . 1 1 51 51 ARG CG C 13 27.64 0.2 . 1 . . . . 51 ARG CG . 16868 1 644 . 1 1 51 51 ARG N N 15 126.87 0.1 . 1 . . . . 51 ARG N . 16868 1 645 . 1 1 52 52 LYS H H 1 8.48 0.03 . 1 . . . . 52 LYS H . 16868 1 646 . 1 1 52 52 LYS HA H 1 4.41 0.03 . 1 . . . . 52 LYS HA . 16868 1 647 . 1 1 52 52 LYS HB2 H 1 1.84 0.03 . 2 . . . . 52 LYS HB2 . 16868 1 648 . 1 1 52 52 LYS HB3 H 1 1.84 0.03 . 2 . . . . 52 LYS HB3 . 16868 1 649 . 1 1 52 52 LYS HD2 H 1 1.39 0.03 . 2 . . . . 52 LYS HD2 . 16868 1 650 . 1 1 52 52 LYS HD3 H 1 1.39 0.03 . 2 . . . . 52 LYS HD3 . 16868 1 651 . 1 1 52 52 LYS HE2 H 1 2.96 0.03 . 2 . . . . 52 LYS HE2 . 16868 1 652 . 1 1 52 52 LYS HE3 H 1 2.96 0.03 . 2 . . . . 52 LYS HE3 . 16868 1 653 . 1 1 52 52 LYS HG2 H 1 1.98 0.03 . 2 . . . . 52 LYS HG2 . 16868 1 654 . 1 1 52 52 LYS HG3 H 1 2.04 0.03 . 2 . . . . 52 LYS HG3 . 16868 1 655 . 1 1 52 52 LYS C C 13 177.68 0.2 . 1 . . . . 52 LYS C . 16868 1 656 . 1 1 52 52 LYS CA C 13 57.13 0.2 . 1 . . . . 52 LYS CA . 16868 1 657 . 1 1 52 52 LYS CB C 13 33.13 0.2 . 1 . . . . 52 LYS CB . 16868 1 658 . 1 1 52 52 LYS CD C 13 28.76 0.2 . 1 . . . . 52 LYS CD . 16868 1 659 . 1 1 52 52 LYS CE C 13 41.78 0.2 . 1 . . . . 52 LYS CE . 16868 1 660 . 1 1 52 52 LYS CG C 13 24.94 0.2 . 1 . . . . 52 LYS CG . 16868 1 661 . 1 1 52 52 LYS N N 15 116.11 0.1 . 1 . . . . 52 LYS N . 16868 1 662 . 1 1 53 53 SER H H 1 8.50 0.03 . 1 . . . . 53 SER H . 16868 1 663 . 1 1 53 53 SER HA H 1 4.63 0.03 . 1 . . . . 53 SER HA . 16868 1 664 . 1 1 53 53 SER HB2 H 1 3.75 0.03 . 2 . . . . 53 SER HB2 . 16868 1 665 . 1 1 53 53 SER HB3 H 1 4.01 0.03 . 2 . . . . 53 SER HB3 . 16868 1 666 . 1 1 53 53 SER C C 13 175.16 0.2 . 1 . . . . 53 SER C . 16868 1 667 . 1 1 53 53 SER CA C 13 58.56 0.2 . 1 . . . . 53 SER CA . 16868 1 668 . 1 1 53 53 SER CB C 13 66.19 0.2 . 1 . . . . 53 SER CB . 16868 1 669 . 1 1 53 53 SER N N 15 113.35 0.1 . 1 . . . . 53 SER N . 16868 1 670 . 1 1 54 54 GLY H H 1 8.55 0.03 . 1 . . . . 54 GLY H . 16868 1 671 . 1 1 54 54 GLY HA2 H 1 3.52 0.03 . 2 . . . . 54 GLY HA2 . 16868 1 672 . 1 1 54 54 GLY HA3 H 1 4.31 0.03 . 2 . . . . 54 GLY HA3 . 16868 1 673 . 1 1 54 54 GLY C C 13 171.31 0.2 . 1 . . . . 54 GLY C . 16868 1 674 . 1 1 54 54 GLY CA C 13 45.91 0.2 . 1 . . . . 54 GLY CA . 16868 1 675 . 1 1 54 54 GLY N N 15 112.91 0.1 . 1 . . . . 54 GLY N . 16868 1 676 . 1 1 55 55 ASP H H 1 7.58 0.03 . 1 . . . . 55 ASP H . 16868 1 677 . 1 1 55 55 ASP HA H 1 4.61 0.03 . 1 . . . . 55 ASP HA . 16868 1 678 . 1 1 55 55 ASP HB2 H 1 2.33 0.03 . 2 . . . . 55 ASP HB2 . 16868 1 679 . 1 1 55 55 ASP HB3 H 1 2.65 0.03 . 2 . . . . 55 ASP HB3 . 16868 1 680 . 1 1 55 55 ASP C C 13 175.23 0.2 . 1 . . . . 55 ASP C . 16868 1 681 . 1 1 55 55 ASP CA C 13 55.29 0.2 . 1 . . . . 55 ASP CA . 16868 1 682 . 1 1 55 55 ASP CB C 13 41.48 0.2 . 1 . . . . 55 ASP CB . 16868 1 683 . 1 1 55 55 ASP N N 15 116.66 0.1 . 1 . . . . 55 ASP N . 16868 1 684 . 1 1 56 56 PHE H H 1 7.90 0.03 . 1 . . . . 56 PHE H . 16868 1 685 . 1 1 56 56 PHE HA H 1 5.77 0.03 . 1 . . . . 56 PHE HA . 16868 1 686 . 1 1 56 56 PHE HB2 H 1 2.58 0.03 . 2 . . . . 56 PHE HB2 . 16868 1 687 . 1 1 56 56 PHE HB3 H 1 2.83 0.03 . 2 . . . . 56 PHE HB3 . 16868 1 688 . 1 1 56 56 PHE HD1 H 1 7.09 0.03 . 1 . . . . 56 PHE HD1 . 16868 1 689 . 1 1 56 56 PHE HD2 H 1 7.09 0.03 . 1 . . . . 56 PHE HD2 . 16868 1 690 . 1 1 56 56 PHE HE1 H 1 7.39 0.03 . 1 . . . . 56 PHE HE1 . 16868 1 691 . 1 1 56 56 PHE HE2 H 1 7.39 0.03 . 1 . . . . 56 PHE HE2 . 16868 1 692 . 1 1 56 56 PHE HZ H 1 7.46 0.03 . 1 . . . . 56 PHE HZ . 16868 1 693 . 1 1 56 56 PHE C C 13 173.30 0.2 . 1 . . . . 56 PHE C . 16868 1 694 . 1 1 56 56 PHE CA C 13 54.32 0.2 . 1 . . . . 56 PHE CA . 16868 1 695 . 1 1 56 56 PHE CB C 13 43.29 0.2 . 1 . . . . 56 PHE CB . 16868 1 696 . 1 1 56 56 PHE N N 15 113.88 0.1 . 1 . . . . 56 PHE N . 16868 1 697 . 1 1 57 57 ASP H H 1 8.24 0.03 . 1 . . . . 57 ASP H . 16868 1 698 . 1 1 57 57 ASP HA H 1 4.78 0.03 . 1 . . . . 57 ASP HA . 16868 1 699 . 1 1 57 57 ASP HB2 H 1 2.28 0.03 . 2 . . . . 57 ASP HB2 . 16868 1 700 . 1 1 57 57 ASP HB3 H 1 2.47 0.03 . 2 . . . . 57 ASP HB3 . 16868 1 701 . 1 1 57 57 ASP C C 13 173.71 0.2 . 1 . . . . 57 ASP C . 16868 1 702 . 1 1 57 57 ASP CA C 13 52.45 0.2 . 1 . . . . 57 ASP CA . 16868 1 703 . 1 1 57 57 ASP CB C 13 45.52 0.2 . 1 . . . . 57 ASP CB . 16868 1 704 . 1 1 57 57 ASP N N 15 122.12 0.1 . 1 . . . . 57 ASP N . 16868 1 705 . 1 1 58 58 THR H H 1 8.78 0.03 . 1 . . . . 58 THR H . 16868 1 706 . 1 1 58 58 THR HA H 1 4.71 0.03 . 1 . . . . 58 THR HA . 16868 1 707 . 1 1 58 58 THR HB H 1 3.65 0.03 . 1 . . . . 58 THR HB . 16868 1 708 . 1 1 58 58 THR HG21 H 1 1.10 0.03 . 1 . . . . 58 THR MG . 16868 1 709 . 1 1 58 58 THR HG22 H 1 1.10 0.03 . 1 . . . . 58 THR MG . 16868 1 710 . 1 1 58 58 THR HG23 H 1 1.10 0.03 . 1 . . . . 58 THR MG . 16868 1 711 . 1 1 58 58 THR C C 13 171.84 0.2 . 1 . . . . 58 THR C . 16868 1 712 . 1 1 58 58 THR CA C 13 62.71 0.2 . 1 . . . . 58 THR CA . 16868 1 713 . 1 1 58 58 THR CB C 13 70.11 0.2 . 1 . . . . 58 THR CB . 16868 1 714 . 1 1 58 58 THR N N 15 117.89 0.1 . 1 . . . . 58 THR N . 16868 1 715 . 1 1 59 59 PHE H H 1 9.27 0.03 . 1 . . . . 59 PHE H . 16868 1 716 . 1 1 59 59 PHE HA H 1 5.04 0.03 . 1 . . . . 59 PHE HA . 16868 1 717 . 1 1 59 59 PHE HB2 H 1 2.57 0.03 . 2 . . . . 59 PHE HB2 . 16868 1 718 . 1 1 59 59 PHE HB3 H 1 2.68 0.03 . 2 . . . . 59 PHE HB3 . 16868 1 719 . 1 1 59 59 PHE HD1 H 1 6.84 0.03 . 1 . . . . 59 PHE HD1 . 16868 1 720 . 1 1 59 59 PHE HD2 H 1 6.84 0.03 . 1 . . . . 59 PHE HD2 . 16868 1 721 . 1 1 59 59 PHE HE1 H 1 7.22 0.03 . 1 . . . . 59 PHE HE1 . 16868 1 722 . 1 1 59 59 PHE HE2 H 1 7.22 0.03 . 1 . . . . 59 PHE HE2 . 16868 1 723 . 1 1 59 59 PHE C C 13 175.22 0.2 . 1 . . . . 59 PHE C . 16868 1 724 . 1 1 59 59 PHE CA C 13 56.20 0.2 . 1 . . . . 59 PHE CA . 16868 1 725 . 1 1 59 59 PHE CB C 13 41.74 0.2 . 1 . . . . 59 PHE CB . 16868 1 726 . 1 1 59 59 PHE N N 15 123.06 0.1 . 1 . . . . 59 PHE N . 16868 1 727 . 1 1 60 60 ARG H H 1 9.25 0.03 . 1 . . . . 60 ARG H . 16868 1 728 . 1 1 60 60 ARG HA H 1 4.79 0.03 . 1 . . . . 60 ARG HA . 16868 1 729 . 1 1 60 60 ARG HB2 H 1 1.71 0.03 . 2 . . . . 60 ARG HB2 . 16868 1 730 . 1 1 60 60 ARG HB3 H 1 1.84 0.03 . 2 . . . . 60 ARG HB3 . 16868 1 731 . 1 1 60 60 ARG HD2 H 1 2.57 0.03 . 2 . . . . 60 ARG HD2 . 16868 1 732 . 1 1 60 60 ARG HD3 H 1 2.95 0.03 . 2 . . . . 60 ARG HD3 . 16868 1 733 . 1 1 60 60 ARG HG2 H 1 0.23 0.03 . 2 . . . . 60 ARG HG2 . 16868 1 734 . 1 1 60 60 ARG HG3 H 1 1.34 0.03 . 2 . . . . 60 ARG HG3 . 16868 1 735 . 1 1 60 60 ARG C C 13 174.43 0.2 . 1 . . . . 60 ARG C . 16868 1 736 . 1 1 60 60 ARG CA C 13 55.19 0.2 . 1 . . . . 60 ARG CA . 16868 1 737 . 1 1 60 60 ARG CB C 13 31.58 0.2 . 1 . . . . 60 ARG CB . 16868 1 738 . 1 1 60 60 ARG CD C 13 44.17 0.2 . 1 . . . . 60 ARG CD . 16868 1 739 . 1 1 60 60 ARG CG C 13 26.97 0.2 . 1 . . . . 60 ARG CG . 16868 1 740 . 1 1 60 60 ARG N N 15 124.76 0.1 . 1 . . . . 60 ARG N . 16868 1 741 . 1 1 61 61 ARG H H 1 8.00 0.03 . 1 . . . . 61 ARG H . 16868 1 742 . 1 1 61 61 ARG HA H 1 5.77 0.03 . 1 . . . . 61 ARG HA . 16868 1 743 . 1 1 61 61 ARG HB2 H 1 1.54 0.03 . 2 . . . . 61 ARG HB2 . 16868 1 744 . 1 1 61 61 ARG HB3 H 1 1.80 0.03 . 2 . . . . 61 ARG HB3 . 16868 1 745 . 1 1 61 61 ARG HD2 H 1 2.48 0.03 . 2 . . . . 61 ARG HD2 . 16868 1 746 . 1 1 61 61 ARG HD3 H 1 2.48 0.03 . 2 . . . . 61 ARG HD3 . 16868 1 747 . 1 1 61 61 ARG HG2 H 1 1.15 0.03 . 2 . . . . 61 ARG HG2 . 16868 1 748 . 1 1 61 61 ARG HG3 H 1 1.25 0.03 . 2 . . . . 61 ARG HG3 . 16868 1 749 . 1 1 61 61 ARG C C 13 175.79 0.2 . 1 . . . . 61 ARG C . 16868 1 750 . 1 1 61 61 ARG CA C 13 53.19 0.2 . 1 . . . . 61 ARG CA . 16868 1 751 . 1 1 61 61 ARG CB C 13 35.09 0.2 . 1 . . . . 61 ARG CB . 16868 1 752 . 1 1 61 61 ARG CD C 13 43.82 0.2 . 1 . . . . 61 ARG CD . 16868 1 753 . 1 1 61 61 ARG CG C 13 25.98 0.2 . 1 . . . . 61 ARG CG . 16868 1 754 . 1 1 61 61 ARG N N 15 121.01 0.1 . 1 . . . . 61 ARG N . 16868 1 755 . 1 1 62 62 TRP H H 1 9.52 0.03 . 1 . . . . 62 TRP H . 16868 1 756 . 1 1 62 62 TRP HA H 1 4.67 0.03 . 1 . . . . 62 TRP HA . 16868 1 757 . 1 1 62 62 TRP HB2 H 1 2.48 0.03 . 2 . . . . 62 TRP HB2 . 16868 1 758 . 1 1 62 62 TRP HB3 H 1 3.01 0.03 . 2 . . . . 62 TRP HB3 . 16868 1 759 . 1 1 62 62 TRP HD1 H 1 6.92 0.03 . 1 . . . . 62 TRP HD1 . 16868 1 760 . 1 1 62 62 TRP HE1 H 1 9.92 0.03 . 1 . . . . 62 TRP HE1 . 16868 1 761 . 1 1 62 62 TRP HE3 H 1 7.67 0.03 . 1 . . . . 62 TRP HE3 . 16868 1 762 . 1 1 62 62 TRP HH2 H 1 7.17 0.03 . 1 . . . . 62 TRP HH2 . 16868 1 763 . 1 1 62 62 TRP HZ2 H 1 7.16 0.03 . 1 . . . . 62 TRP HZ2 . 16868 1 764 . 1 1 62 62 TRP HZ3 H 1 6.85 0.03 . 1 . . . . 62 TRP HZ3 . 16868 1 765 . 1 1 62 62 TRP C C 13 174.01 0.2 . 1 . . . . 62 TRP C . 16868 1 766 . 1 1 62 62 TRP CA C 13 57.29 0.2 . 1 . . . . 62 TRP CA . 16868 1 767 . 1 1 62 62 TRP CB C 13 33.28 0.2 . 1 . . . . 62 TRP CB . 16868 1 768 . 1 1 62 62 TRP N N 15 121.80 0.1 . 1 . . . . 62 TRP N . 16868 1 769 . 1 1 62 62 TRP NE1 N 15 129.00 0.1 . 1 . . . . 62 TRP NE1 . 16868 1 770 . 1 1 63 63 LEU H H 1 8.51 0.03 . 1 . . . . 63 LEU H . 16868 1 771 . 1 1 63 63 LEU HA H 1 3.99 0.03 . 1 . . . . 63 LEU HA . 16868 1 772 . 1 1 63 63 LEU HB2 H 1 1.56 0.03 . 2 . . . . 63 LEU HB2 . 16868 1 773 . 1 1 63 63 LEU HB3 H 1 1.78 0.03 . 2 . . . . 63 LEU HB3 . 16868 1 774 . 1 1 63 63 LEU HD11 H 1 0.83 0.03 . 2 . . . . 63 LEU MD1 . 16868 1 775 . 1 1 63 63 LEU HD12 H 1 0.83 0.03 . 2 . . . . 63 LEU MD1 . 16868 1 776 . 1 1 63 63 LEU HD13 H 1 0.83 0.03 . 2 . . . . 63 LEU MD1 . 16868 1 777 . 1 1 63 63 LEU HD21 H 1 0.27 0.03 . 2 . . . . 63 LEU MD2 . 16868 1 778 . 1 1 63 63 LEU HD22 H 1 0.27 0.03 . 2 . . . . 63 LEU MD2 . 16868 1 779 . 1 1 63 63 LEU HD23 H 1 0.27 0.03 . 2 . . . . 63 LEU MD2 . 16868 1 780 . 1 1 63 63 LEU HG H 1 1.25 0.03 . 1 . . . . 63 LEU HG . 16868 1 781 . 1 1 63 63 LEU C C 13 175.88 0.2 . 1 . . . . 63 LEU C . 16868 1 782 . 1 1 63 63 LEU CA C 13 54.65 0.2 . 1 . . . . 63 LEU CA . 16868 1 783 . 1 1 63 63 LEU CB C 13 44.00 0.2 . 1 . . . . 63 LEU CB . 16868 1 784 . 1 1 63 63 LEU CD1 C 13 26.40 0.2 . 2 . . . . 63 LEU CD1 . 16868 1 785 . 1 1 63 63 LEU CD2 C 13 22.02 0.2 . 2 . . . . 63 LEU CD2 . 16868 1 786 . 1 1 63 63 LEU CG C 13 26.48 0.2 . 1 . . . . 63 LEU CG . 16868 1 787 . 1 1 63 63 LEU N N 15 127.22 0.1 . 1 . . . . 63 LEU N . 16868 1 788 . 1 1 64 64 VAL H H 1 8.72 0.03 . 1 . . . . 64 VAL H . 16868 1 789 . 1 1 64 64 VAL HA H 1 4.41 0.03 . 1 . . . . 64 VAL HA . 16868 1 790 . 1 1 64 64 VAL HB H 1 2.09 0.03 . 1 . . . . 64 VAL HB . 16868 1 791 . 1 1 64 64 VAL HG11 H 1 0.62 0.03 . 2 . . . . 64 VAL MG1 . 16868 1 792 . 1 1 64 64 VAL HG12 H 1 0.62 0.03 . 2 . . . . 64 VAL MG1 . 16868 1 793 . 1 1 64 64 VAL HG13 H 1 0.62 0.03 . 2 . . . . 64 VAL MG1 . 16868 1 794 . 1 1 64 64 VAL HG21 H 1 0.67 0.03 . 2 . . . . 64 VAL MG2 . 16868 1 795 . 1 1 64 64 VAL HG22 H 1 0.67 0.03 . 2 . . . . 64 VAL MG2 . 16868 1 796 . 1 1 64 64 VAL HG23 H 1 0.67 0.03 . 2 . . . . 64 VAL MG2 . 16868 1 797 . 1 1 64 64 VAL C C 13 176.85 0.2 . 1 . . . . 64 VAL C . 16868 1 798 . 1 1 64 64 VAL CA C 13 62.86 0.2 . 1 . . . . 64 VAL CA . 16868 1 799 . 1 1 64 64 VAL CB C 13 30.34 0.2 . 1 . . . . 64 VAL CB . 16868 1 800 . 1 1 64 64 VAL CG1 C 13 22.90 0.2 . 2 . . . . 64 VAL CG1 . 16868 1 801 . 1 1 64 64 VAL CG2 C 13 21.87 0.2 . 2 . . . . 64 VAL CG2 . 16868 1 802 . 1 1 64 64 VAL N N 15 127.08 0.1 . 1 . . . . 64 VAL N . 16868 1 803 . 1 1 65 65 VAL H H 1 8.85 0.03 . 1 . . . . 65 VAL H . 16868 1 804 . 1 1 65 65 VAL HA H 1 4.72 0.03 . 1 . . . . 65 VAL HA . 16868 1 805 . 1 1 65 65 VAL HB H 1 2.15 0.03 . 1 . . . . 65 VAL HB . 16868 1 806 . 1 1 65 65 VAL HG11 H 1 0.53 0.03 . 2 . . . . 65 VAL MG1 . 16868 1 807 . 1 1 65 65 VAL HG12 H 1 0.53 0.03 . 2 . . . . 65 VAL MG1 . 16868 1 808 . 1 1 65 65 VAL HG13 H 1 0.53 0.03 . 2 . . . . 65 VAL MG1 . 16868 1 809 . 1 1 65 65 VAL HG21 H 1 0.87 0.03 . 2 . . . . 65 VAL MG2 . 16868 1 810 . 1 1 65 65 VAL HG22 H 1 0.87 0.03 . 2 . . . . 65 VAL MG2 . 16868 1 811 . 1 1 65 65 VAL HG23 H 1 0.87 0.03 . 2 . . . . 65 VAL MG2 . 16868 1 812 . 1 1 65 65 VAL C C 13 174.24 0.2 . 1 . . . . 65 VAL C . 16868 1 813 . 1 1 65 65 VAL CA C 13 59.24 0.2 . 1 . . . . 65 VAL CA . 16868 1 814 . 1 1 65 65 VAL CB C 13 36.13 0.2 . 1 . . . . 65 VAL CB . 16868 1 815 . 1 1 65 65 VAL CG1 C 13 20.08 0.2 . 2 . . . . 65 VAL CG1 . 16868 1 816 . 1 1 65 65 VAL CG2 C 13 21.74 0.2 . 2 . . . . 65 VAL CG2 . 16868 1 817 . 1 1 65 65 VAL N N 15 123.29 0.1 . 1 . . . . 65 VAL N . 16868 1 818 . 1 1 66 66 ASP H H 1 8.37 0.03 . 1 . . . . 66 ASP H . 16868 1 819 . 1 1 66 66 ASP HA H 1 4.58 0.03 . 1 . . . . 66 ASP HA . 16868 1 820 . 1 1 66 66 ASP HB2 H 1 2.82 0.03 . 2 . . . . 66 ASP HB2 . 16868 1 821 . 1 1 66 66 ASP HB3 H 1 2.94 0.03 . 2 . . . . 66 ASP HB3 . 16868 1 822 . 1 1 66 66 ASP C C 13 176.55 0.2 . 1 . . . . 66 ASP C . 16868 1 823 . 1 1 66 66 ASP CA C 13 55.75 0.2 . 1 . . . . 66 ASP CA . 16868 1 824 . 1 1 66 66 ASP CB C 13 41.09 0.2 . 1 . . . . 66 ASP CB . 16868 1 825 . 1 1 66 66 ASP N N 15 118.75 0.1 . 1 . . . . 66 ASP N . 16868 1 826 . 1 1 67 67 GLU H H 1 7.65 0.03 . 1 . . . . 67 GLU H . 16868 1 827 . 1 1 67 67 GLU HA H 1 4.39 0.03 . 1 . . . . 67 GLU HA . 16868 1 828 . 1 1 67 67 GLU HB2 H 1 1.80 0.03 . 2 . . . . 67 GLU HB2 . 16868 1 829 . 1 1 67 67 GLU HB3 H 1 1.84 0.03 . 2 . . . . 67 GLU HB3 . 16868 1 830 . 1 1 67 67 GLU HG2 H 1 1.99 0.03 . 2 . . . . 67 GLU HG2 . 16868 1 831 . 1 1 67 67 GLU HG3 H 1 2.11 0.03 . 2 . . . . 67 GLU HG3 . 16868 1 832 . 1 1 67 67 GLU C C 13 174.40 0.2 . 1 . . . . 67 GLU C . 16868 1 833 . 1 1 67 67 GLU CA C 13 55.01 0.2 . 1 . . . . 67 GLU CA . 16868 1 834 . 1 1 67 67 GLU CB C 13 32.00 0.2 . 1 . . . . 67 GLU CB . 16868 1 835 . 1 1 67 67 GLU CG C 13 35.88 0.2 . 1 . . . . 67 GLU CG . 16868 1 836 . 1 1 67 67 GLU N N 15 118.52 0.1 . 1 . . . . 67 GLU N . 16868 1 837 . 1 1 68 68 VAL H H 1 8.70 0.03 . 1 . . . . 68 VAL H . 16868 1 838 . 1 1 68 68 VAL HA H 1 3.91 0.03 . 1 . . . . 68 VAL HA . 16868 1 839 . 1 1 68 68 VAL HB H 1 1.93 0.03 . 1 . . . . 68 VAL HB . 16868 1 840 . 1 1 68 68 VAL HG11 H 1 0.79 0.03 . 2 . . . . 68 VAL MG1 . 16868 1 841 . 1 1 68 68 VAL HG12 H 1 0.79 0.03 . 2 . . . . 68 VAL MG1 . 16868 1 842 . 1 1 68 68 VAL HG13 H 1 0.79 0.03 . 2 . . . . 68 VAL MG1 . 16868 1 843 . 1 1 68 68 VAL HG21 H 1 0.85 0.03 . 2 . . . . 68 VAL MG2 . 16868 1 844 . 1 1 68 68 VAL HG22 H 1 0.85 0.03 . 2 . . . . 68 VAL MG2 . 16868 1 845 . 1 1 68 68 VAL HG23 H 1 0.85 0.03 . 2 . . . . 68 VAL MG2 . 16868 1 846 . 1 1 68 68 VAL C C 13 176.91 0.2 . 1 . . . . 68 VAL C . 16868 1 847 . 1 1 68 68 VAL CA C 13 62.83 0.2 . 1 . . . . 68 VAL CA . 16868 1 848 . 1 1 68 68 VAL CB C 13 32.45 0.2 . 1 . . . . 68 VAL CB . 16868 1 849 . 1 1 68 68 VAL CG1 C 13 22.84 0.2 . 2 . . . . 68 VAL CG1 . 16868 1 850 . 1 1 68 68 VAL CG2 C 13 21.57 0.2 . 2 . . . . 68 VAL CG2 . 16868 1 851 . 1 1 68 68 VAL N N 15 126.84 0.1 . 1 . . . . 68 VAL N . 16868 1 852 . 1 1 69 69 THR H H 1 9.64 0.03 . 1 . . . . 69 THR H . 16868 1 853 . 1 1 69 69 THR HA H 1 4.59 0.03 . 1 . . . . 69 THR HA . 16868 1 854 . 1 1 69 69 THR HB H 1 4.29 0.03 . 1 . . . . 69 THR HB . 16868 1 855 . 1 1 69 69 THR HG21 H 1 1.18 0.03 . 1 . . . . 69 THR MG . 16868 1 856 . 1 1 69 69 THR HG22 H 1 1.18 0.03 . 1 . . . . 69 THR MG . 16868 1 857 . 1 1 69 69 THR HG23 H 1 1.18 0.03 . 1 . . . . 69 THR MG . 16868 1 858 . 1 1 69 69 THR C C 13 175.22 0.2 . 1 . . . . 69 THR C . 16868 1 859 . 1 1 69 69 THR CA C 13 62.56 0.2 . 1 . . . . 69 THR CA . 16868 1 860 . 1 1 69 69 THR CB C 13 70.50 0.2 . 1 . . . . 69 THR CB . 16868 1 861 . 1 1 69 69 THR N N 15 120.52 0.1 . 1 . . . . 69 THR N . 16868 1 862 . 1 1 70 70 GLN H H 1 8.28 0.03 . 1 . . . . 70 GLN H . 16868 1 863 . 1 1 70 70 GLN HA H 1 4.98 0.03 . 1 . . . . 70 GLN HA . 16868 1 864 . 1 1 70 70 GLN HB2 H 1 1.82 0.03 . 2 . . . . 70 GLN HB2 . 16868 1 865 . 1 1 70 70 GLN HB3 H 1 1.97 0.03 . 2 . . . . 70 GLN HB3 . 16868 1 866 . 1 1 70 70 GLN HG2 H 1 2.21 0.03 . 2 . . . . 70 GLN HG2 . 16868 1 867 . 1 1 70 70 GLN HG3 H 1 2.38 0.03 . 2 . . . . 70 GLN HG3 . 16868 1 868 . 1 1 70 70 GLN CA C 13 52.96 0.2 . 1 . . . . 70 GLN CA . 16868 1 869 . 1 1 70 70 GLN CB C 13 30.19 0.2 . 1 . . . . 70 GLN CB . 16868 1 870 . 1 1 70 70 GLN N N 15 123.23 0.1 . 1 . . . . 70 GLN N . 16868 1 871 . 1 1 71 71 PRO HA H 1 4.45 0.03 . 1 . . . . 71 PRO HA . 16868 1 872 . 1 1 71 71 PRO HB2 H 1 2.15 0.03 . 2 . . . . 71 PRO HB2 . 16868 1 873 . 1 1 71 71 PRO HB3 H 1 2.41 0.03 . 2 . . . . 71 PRO HB3 . 16868 1 874 . 1 1 71 71 PRO HD2 H 1 3.43 0.03 . 2 . . . . 71 PRO HD2 . 16868 1 875 . 1 1 71 71 PRO HD3 H 1 3.98 0.03 . 2 . . . . 71 PRO HD3 . 16868 1 876 . 1 1 71 71 PRO HG2 H 1 2.02 0.03 . 2 . . . . 71 PRO HG2 . 16868 1 877 . 1 1 71 71 PRO HG3 H 1 2.06 0.03 . 2 . . . . 71 PRO HG3 . 16868 1 878 . 1 1 71 71 PRO C C 13 177.15 0.2 . 1 . . . . 71 PRO C . 16868 1 879 . 1 1 71 71 PRO CA C 13 64.68 0.2 . 1 . . . . 71 PRO CA . 16868 1 880 . 1 1 71 71 PRO CB C 13 32.26 0.2 . 1 . . . . 71 PRO CB . 16868 1 881 . 1 1 71 71 PRO CD C 13 50.78 0.2 . 1 . . . . 71 PRO CD . 16868 1 882 . 1 1 71 71 PRO CG C 13 27.11 0.2 . 1 . . . . 71 PRO CG . 16868 1 883 . 1 1 72 72 THR H H 1 7.93 0.03 . 1 . . . . 72 THR H . 16868 1 884 . 1 1 72 72 THR HA H 1 4.45 0.03 . 1 . . . . 72 THR HA . 16868 1 885 . 1 1 72 72 THR HB H 1 4.29 0.03 . 1 . . . . 72 THR HB . 16868 1 886 . 1 1 72 72 THR HG21 H 1 1.30 0.03 . 1 . . . . 72 THR MG . 16868 1 887 . 1 1 72 72 THR HG22 H 1 1.30 0.03 . 1 . . . . 72 THR MG . 16868 1 888 . 1 1 72 72 THR HG23 H 1 1.30 0.03 . 1 . . . . 72 THR MG . 16868 1 889 . 1 1 72 72 THR C C 13 176.64 0.2 . 1 . . . . 72 THR C . 16868 1 890 . 1 1 72 72 THR CA C 13 63.28 0.2 . 1 . . . . 72 THR CA . 16868 1 891 . 1 1 72 72 THR CB C 13 68.75 0.2 . 1 . . . . 72 THR CB . 16868 1 892 . 1 1 72 72 THR N N 15 105.26 0.1 . 1 . . . . 72 THR N . 16868 1 893 . 1 1 73 73 LYS H H 1 8.36 0.03 . 1 . . . . 73 LYS H . 16868 1 894 . 1 1 73 73 LYS HA H 1 4.45 0.03 . 1 . . . . 73 LYS HA . 16868 1 895 . 1 1 73 73 LYS HB2 H 1 1.89 0.03 . 2 . . . . 73 LYS HB2 . 16868 1 896 . 1 1 73 73 LYS HB3 H 1 1.94 0.03 . 2 . . . . 73 LYS HB3 . 16868 1 897 . 1 1 73 73 LYS HD2 H 1 1.20 0.03 . 2 . . . . 73 LYS HD2 . 16868 1 898 . 1 1 73 73 LYS HD3 H 1 1.39 0.03 . 2 . . . . 73 LYS HD3 . 16868 1 899 . 1 1 73 73 LYS HE2 H 1 2.70 0.03 . 2 . . . . 73 LYS HE2 . 16868 1 900 . 1 1 73 73 LYS HE3 H 1 2.78 0.03 . 2 . . . . 73 LYS HE3 . 16868 1 901 . 1 1 73 73 LYS HG2 H 1 1.45 0.03 . 2 . . . . 73 LYS HG2 . 16868 1 902 . 1 1 73 73 LYS HG3 H 1 1.54 0.03 . 2 . . . . 73 LYS HG3 . 16868 1 903 . 1 1 73 73 LYS C C 13 173.29 0.2 . 1 . . . . 73 LYS C . 16868 1 904 . 1 1 73 73 LYS CA C 13 56.91 0.2 . 1 . . . . 73 LYS CA . 16868 1 905 . 1 1 73 73 LYS CB C 13 34.56 0.2 . 1 . . . . 73 LYS CB . 16868 1 906 . 1 1 73 73 LYS CD C 13 29.73 0.2 . 1 . . . . 73 LYS CD . 16868 1 907 . 1 1 73 73 LYS CE C 13 41.58 0.2 . 1 . . . . 73 LYS CE . 16868 1 908 . 1 1 73 73 LYS CG C 13 24.57 0.2 . 1 . . . . 73 LYS CG . 16868 1 909 . 1 1 73 73 LYS N N 15 117.72 0.1 . 1 . . . . 73 LYS N . 16868 1 910 . 1 1 74 74 GLU H H 1 7.64 0.03 . 1 . . . . 74 GLU H . 16868 1 911 . 1 1 74 74 GLU HA H 1 5.78 0.03 . 1 . . . . 74 GLU HA . 16868 1 912 . 1 1 74 74 GLU C C 13 173.53 0.2 . 1 . . . . 74 GLU C . 16868 1 913 . 1 1 74 74 GLU CA C 13 54.90 0.2 . 1 . . . . 74 GLU CA . 16868 1 914 . 1 1 74 74 GLU CB C 13 36.07 0.2 . 1 . . . . 74 GLU CB . 16868 1 915 . 1 1 74 74 GLU N N 15 121.97 0.1 . 1 . . . . 74 GLU N . 16868 1 916 . 1 1 75 75 ILE H H 1 9.05 0.03 . 1 . . . . 75 ILE H . 16868 1 917 . 1 1 75 75 ILE HA H 1 4.53 0.03 . 1 . . . . 75 ILE HA . 16868 1 918 . 1 1 75 75 ILE HB H 1 1.42 0.03 . 1 . . . . 75 ILE HB . 16868 1 919 . 1 1 75 75 ILE HD11 H 1 0.46 0.03 . 1 . . . . 75 ILE MD . 16868 1 920 . 1 1 75 75 ILE HD12 H 1 0.46 0.03 . 1 . . . . 75 ILE MD . 16868 1 921 . 1 1 75 75 ILE HD13 H 1 0.46 0.03 . 1 . . . . 75 ILE MD . 16868 1 922 . 1 1 75 75 ILE HG12 H 1 1.27 0.03 . 2 . . . . 75 ILE HG12 . 16868 1 923 . 1 1 75 75 ILE HG13 H 1 1.52 0.03 . 2 . . . . 75 ILE HG13 . 16868 1 924 . 1 1 75 75 ILE HG21 H 1 0.64 0.03 . 1 . . . . 75 ILE MG . 16868 1 925 . 1 1 75 75 ILE HG22 H 1 0.64 0.03 . 1 . . . . 75 ILE MG . 16868 1 926 . 1 1 75 75 ILE HG23 H 1 0.64 0.03 . 1 . . . . 75 ILE MG . 16868 1 927 . 1 1 75 75 ILE C C 13 172.76 0.2 . 1 . . . . 75 ILE C . 16868 1 928 . 1 1 75 75 ILE CA C 13 59.40 0.2 . 1 . . . . 75 ILE CA . 16868 1 929 . 1 1 75 75 ILE CB C 13 42.55 0.2 . 1 . . . . 75 ILE CB . 16868 1 930 . 1 1 75 75 ILE CD1 C 13 13.41 0.2 . 1 . . . . 75 ILE CD1 . 16868 1 931 . 1 1 75 75 ILE CG1 C 13 27.81 0.2 . 1 . . . . 75 ILE CG1 . 16868 1 932 . 1 1 75 75 ILE CG2 C 13 16.92 0.2 . 1 . . . . 75 ILE CG2 . 16868 1 933 . 1 1 75 75 ILE N N 15 119.48 0.1 . 1 . . . . 75 ILE N . 16868 1 934 . 1 1 76 76 THR H H 1 8.05 0.03 . 1 . . . . 76 THR H . 16868 1 935 . 1 1 76 76 THR HA H 1 4.63 0.03 . 1 . . . . 76 THR HA . 16868 1 936 . 1 1 76 76 THR HB H 1 4.70 0.03 . 1 . . . . 76 THR HB . 16868 1 937 . 1 1 76 76 THR HG21 H 1 1.35 0.03 . 1 . . . . 76 THR MG . 16868 1 938 . 1 1 76 76 THR HG22 H 1 1.35 0.03 . 1 . . . . 76 THR MG . 16868 1 939 . 1 1 76 76 THR HG23 H 1 1.35 0.03 . 1 . . . . 76 THR MG . 16868 1 940 . 1 1 76 76 THR C C 13 175.82 0.2 . 1 . . . . 76 THR C . 16868 1 941 . 1 1 76 76 THR CA C 13 61.60 0.2 . 1 . . . . 76 THR CA . 16868 1 942 . 1 1 76 76 THR CB C 13 71.11 0.2 . 1 . . . . 76 THR CB . 16868 1 943 . 1 1 76 76 THR N N 15 115.19 0.1 . 1 . . . . 76 THR N . 16868 1 944 . 1 1 77 77 LEU H H 1 8.06 0.03 . 1 . . . . 77 LEU H . 16868 1 945 . 1 1 77 77 LEU HA H 1 3.81 0.03 . 1 . . . . 77 LEU HA . 16868 1 946 . 1 1 77 77 LEU HB2 H 1 1.13 0.03 . 2 . . . . 77 LEU HB2 . 16868 1 947 . 1 1 77 77 LEU HB3 H 1 1.83 0.03 . 2 . . . . 77 LEU HB3 . 16868 1 948 . 1 1 77 77 LEU HD11 H 1 0.72 0.03 . 2 . . . . 77 LEU MD1 . 16868 1 949 . 1 1 77 77 LEU HD12 H 1 0.72 0.03 . 2 . . . . 77 LEU MD1 . 16868 1 950 . 1 1 77 77 LEU HD13 H 1 0.72 0.03 . 2 . . . . 77 LEU MD1 . 16868 1 951 . 1 1 77 77 LEU HD21 H 1 0.81 0.03 . 2 . . . . 77 LEU MD2 . 16868 1 952 . 1 1 77 77 LEU HD22 H 1 0.81 0.03 . 2 . . . . 77 LEU MD2 . 16868 1 953 . 1 1 77 77 LEU HD23 H 1 0.81 0.03 . 2 . . . . 77 LEU MD2 . 16868 1 954 . 1 1 77 77 LEU HG H 1 0.83 0.03 . 1 . . . . 77 LEU HG . 16868 1 955 . 1 1 77 77 LEU C C 13 177.92 0.2 . 1 . . . . 77 LEU C . 16868 1 956 . 1 1 77 77 LEU CA C 13 57.92 0.2 . 1 . . . . 77 LEU CA . 16868 1 957 . 1 1 77 77 LEU CB C 13 42.32 0.2 . 1 . . . . 77 LEU CB . 16868 1 958 . 1 1 77 77 LEU CD1 C 13 23.86 0.2 . 2 . . . . 77 LEU CD1 . 16868 1 959 . 1 1 77 77 LEU CD2 C 13 20.55 0.2 . 2 . . . . 77 LEU CD2 . 16868 1 960 . 1 1 77 77 LEU CG C 13 25.71 0.2 . 1 . . . . 77 LEU CG . 16868 1 961 . 1 1 77 77 LEU N N 15 122.25 0.1 . 1 . . . . 77 LEU N . 16868 1 962 . 1 1 78 78 GLU H H 1 8.30 0.03 . 1 . . . . 78 GLU H . 16868 1 963 . 1 1 78 78 GLU HA H 1 3.77 0.03 . 1 . . . . 78 GLU HA . 16868 1 964 . 1 1 78 78 GLU HB2 H 1 1.82 0.03 . 2 . . . . 78 GLU HB2 . 16868 1 965 . 1 1 78 78 GLU HB3 H 1 2.00 0.03 . 2 . . . . 78 GLU HB3 . 16868 1 966 . 1 1 78 78 GLU HG2 H 1 2.18 0.03 . 2 . . . . 78 GLU HG2 . 16868 1 967 . 1 1 78 78 GLU HG3 H 1 2.18 0.03 . 2 . . . . 78 GLU HG3 . 16868 1 968 . 1 1 78 78 GLU C C 13 178.39 0.2 . 1 . . . . 78 GLU C . 16868 1 969 . 1 1 78 78 GLU CA C 13 59.50 0.2 . 1 . . . . 78 GLU CA . 16868 1 970 . 1 1 78 78 GLU CB C 13 29.66 0.2 . 1 . . . . 78 GLU CB . 16868 1 971 . 1 1 78 78 GLU CG C 13 36.40 0.2 . 1 . . . . 78 GLU CG . 16868 1 972 . 1 1 78 78 GLU N N 15 115.72 0.1 . 1 . . . . 78 GLU N . 16868 1 973 . 1 1 79 79 ALA H H 1 7.67 0.03 . 1 . . . . 79 ALA H . 16868 1 974 . 1 1 79 79 ALA HA H 1 3.94 0.03 . 1 . . . . 79 ALA HA . 16868 1 975 . 1 1 79 79 ALA HB1 H 1 1.33 0.03 . 1 . . . . 79 ALA MB . 16868 1 976 . 1 1 79 79 ALA HB2 H 1 1.33 0.03 . 1 . . . . 79 ALA MB . 16868 1 977 . 1 1 79 79 ALA HB3 H 1 1.33 0.03 . 1 . . . . 79 ALA MB . 16868 1 978 . 1 1 79 79 ALA C C 13 181.28 0.2 . 1 . . . . 79 ALA C . 16868 1 979 . 1 1 79 79 ALA CA C 13 54.29 0.2 . 1 . . . . 79 ALA CA . 16868 1 980 . 1 1 79 79 ALA CB C 13 17.85 0.2 . 1 . . . . 79 ALA CB . 16868 1 981 . 1 1 79 79 ALA N N 15 120.72 0.1 . 1 . . . . 79 ALA N . 16868 1 982 . 1 1 80 80 ALA H H 1 8.72 0.03 . 1 . . . . 80 ALA H . 16868 1 983 . 1 1 80 80 ALA HA H 1 3.82 0.03 . 1 . . . . 80 ALA HA . 16868 1 984 . 1 1 80 80 ALA HB1 H 1 1.35 0.03 . 1 . . . . 80 ALA MB . 16868 1 985 . 1 1 80 80 ALA HB2 H 1 1.35 0.03 . 1 . . . . 80 ALA MB . 16868 1 986 . 1 1 80 80 ALA HB3 H 1 1.35 0.03 . 1 . . . . 80 ALA MB . 16868 1 987 . 1 1 80 80 ALA C C 13 179.84 0.2 . 1 . . . . 80 ALA C . 16868 1 988 . 1 1 80 80 ALA CA C 13 55.06 0.2 . 1 . . . . 80 ALA CA . 16868 1 989 . 1 1 80 80 ALA CB C 13 19.34 0.2 . 1 . . . . 80 ALA CB . 16868 1 990 . 1 1 80 80 ALA N N 15 122.71 0.1 . 1 . . . . 80 ALA N . 16868 1 991 . 1 1 81 81 ARG H H 1 8.24 0.03 . 1 . . . . 81 ARG H . 16868 1 992 . 1 1 81 81 ARG HA H 1 4.28 0.03 . 1 . . . . 81 ARG HA . 16868 1 993 . 1 1 81 81 ARG HB2 H 1 1.76 0.03 . 2 . . . . 81 ARG HB2 . 16868 1 994 . 1 1 81 81 ARG HB3 H 1 1.84 0.03 . 2 . . . . 81 ARG HB3 . 16868 1 995 . 1 1 81 81 ARG HD2 H 1 3.01 0.03 . 2 . . . . 81 ARG HD2 . 16868 1 996 . 1 1 81 81 ARG HD3 H 1 3.08 0.03 . 2 . . . . 81 ARG HD3 . 16868 1 997 . 1 1 81 81 ARG HG2 H 1 1.57 0.03 . 2 . . . . 81 ARG HG2 . 16868 1 998 . 1 1 81 81 ARG HG3 H 1 1.57 0.03 . 2 . . . . 81 ARG HG3 . 16868 1 999 . 1 1 81 81 ARG C C 13 177.65 0.2 . 1 . . . . 81 ARG C . 16868 1 1000 . 1 1 81 81 ARG CA C 13 57.75 0.2 . 1 . . . . 81 ARG CA . 16868 1 1001 . 1 1 81 81 ARG CB C 13 29.92 0.2 . 1 . . . . 81 ARG CB . 16868 1 1002 . 1 1 81 81 ARG CD C 13 44.12 0.2 . 1 . . . . 81 ARG CD . 16868 1 1003 . 1 1 81 81 ARG CG C 13 29.06 0.2 . 1 . . . . 81 ARG CG . 16868 1 1004 . 1 1 81 81 ARG N N 15 115.37 0.1 . 1 . . . . 81 ARG N . 16868 1 1005 . 1 1 82 82 TYR H H 1 7.27 0.03 . 1 . . . . 82 TYR H . 16868 1 1006 . 1 1 82 82 TYR HA H 1 4.28 0.03 . 1 . . . . 82 TYR HA . 16868 1 1007 . 1 1 82 82 TYR HB2 H 1 3.09 0.03 . 2 . . . . 82 TYR HB2 . 16868 1 1008 . 1 1 82 82 TYR HB3 H 1 3.09 0.03 . 2 . . . . 82 TYR HB3 . 16868 1 1009 . 1 1 82 82 TYR HD1 H 1 7.15 0.03 . 1 . . . . 82 TYR HD1 . 16868 1 1010 . 1 1 82 82 TYR HD2 H 1 7.15 0.03 . 1 . . . . 82 TYR HD2 . 16868 1 1011 . 1 1 82 82 TYR HE1 H 1 6.78 0.03 . 1 . . . . 82 TYR HE1 . 16868 1 1012 . 1 1 82 82 TYR HE2 H 1 6.78 0.03 . 1 . . . . 82 TYR HE2 . 16868 1 1013 . 1 1 82 82 TYR C C 13 177.48 0.2 . 1 . . . . 82 TYR C . 16868 1 1014 . 1 1 82 82 TYR CA C 13 60.02 0.2 . 1 . . . . 82 TYR CA . 16868 1 1015 . 1 1 82 82 TYR CB C 13 37.85 0.2 . 1 . . . . 82 TYR CB . 16868 1 1016 . 1 1 82 82 TYR N N 15 118.00 0.1 . 1 . . . . 82 TYR N . 16868 1 1017 . 1 1 83 83 GLU H H 1 7.25 0.03 . 1 . . . . 83 GLU H . 16868 1 1018 . 1 1 83 83 GLU HA H 1 4.28 0.03 . 1 . . . . 83 GLU HA . 16868 1 1019 . 1 1 83 83 GLU HB2 H 1 1.60 0.03 . 2 . . . . 83 GLU HB2 . 16868 1 1020 . 1 1 83 83 GLU HB3 H 1 1.84 0.03 . 2 . . . . 83 GLU HB3 . 16868 1 1021 . 1 1 83 83 GLU HG2 H 1 2.26 0.03 . 2 . . . . 83 GLU HG2 . 16868 1 1022 . 1 1 83 83 GLU HG3 H 1 2.26 0.03 . 2 . . . . 83 GLU HG3 . 16868 1 1023 . 1 1 83 83 GLU C C 13 176.97 0.2 . 1 . . . . 83 GLU C . 16868 1 1024 . 1 1 83 83 GLU CA C 13 56.98 0.2 . 1 . . . . 83 GLU CA . 16868 1 1025 . 1 1 83 83 GLU CB C 13 29.75 0.2 . 1 . . . . 83 GLU CB . 16868 1 1026 . 1 1 83 83 GLU CG C 13 35.35 0.2 . 1 . . . . 83 GLU CG . 16868 1 1027 . 1 1 83 83 GLU N N 15 116.17 0.1 . 1 . . . . 83 GLU N . 16868 1 1028 . 1 1 84 84 ASP H H 1 7.78 0.03 . 1 . . . . 84 ASP H . 16868 1 1029 . 1 1 84 84 ASP HA H 1 4.57 0.03 . 1 . . . . 84 ASP HA . 16868 1 1030 . 1 1 84 84 ASP HB2 H 1 2.60 0.03 . 2 . . . . 84 ASP HB2 . 16868 1 1031 . 1 1 84 84 ASP HB3 H 1 2.71 0.03 . 2 . . . . 84 ASP HB3 . 16868 1 1032 . 1 1 84 84 ASP C C 13 175.69 0.2 . 1 . . . . 84 ASP C . 16868 1 1033 . 1 1 84 84 ASP CA C 13 53.84 0.2 . 1 . . . . 84 ASP CA . 16868 1 1034 . 1 1 84 84 ASP CB C 13 41.19 0.2 . 1 . . . . 84 ASP CB . 16868 1 1035 . 1 1 84 84 ASP N N 15 117.70 0.1 . 1 . . . . 84 ASP N . 16868 1 1036 . 1 1 85 85 GLU H H 1 8.79 0.03 . 1 . . . . 85 GLU H . 16868 1 1037 . 1 1 85 85 GLU HA H 1 4.05 0.03 . 1 . . . . 85 GLU HA . 16868 1 1038 . 1 1 85 85 GLU HB2 H 1 2.10 0.03 . 2 . . . . 85 GLU HB2 . 16868 1 1039 . 1 1 85 85 GLU HB3 H 1 2.10 0.03 . 2 . . . . 85 GLU HB3 . 16868 1 1040 . 1 1 85 85 GLU HG2 H 1 2.31 0.03 . 2 . . . . 85 GLU HG2 . 16868 1 1041 . 1 1 85 85 GLU HG3 H 1 2.31 0.03 . 2 . . . . 85 GLU HG3 . 16868 1 1042 . 1 1 85 85 GLU C C 13 176.08 0.2 . 1 . . . . 85 GLU C . 16868 1 1043 . 1 1 85 85 GLU CA C 13 58.37 0.2 . 1 . . . . 85 GLU CA . 16868 1 1044 . 1 1 85 85 GLU CB C 13 29.50 0.2 . 1 . . . . 85 GLU CB . 16868 1 1045 . 1 1 85 85 GLU CG C 13 35.95 0.2 . 1 . . . . 85 GLU CG . 16868 1 1046 . 1 1 85 85 GLU N N 15 125.20 0.1 . 1 . . . . 85 GLU N . 16868 1 1047 . 1 1 86 86 SER H H 1 8.61 0.03 . 1 . . . . 86 SER H . 16868 1 1048 . 1 1 86 86 SER HA H 1 4.29 0.03 . 1 . . . . 86 SER HA . 16868 1 1049 . 1 1 86 86 SER HB2 H 1 3.82 0.03 . 2 . . . . 86 SER HB2 . 16868 1 1050 . 1 1 86 86 SER HB3 H 1 3.97 0.03 . 2 . . . . 86 SER HB3 . 16868 1 1051 . 1 1 86 86 SER C C 13 174.78 0.2 . 1 . . . . 86 SER C . 16868 1 1052 . 1 1 86 86 SER CA C 13 59.31 0.2 . 1 . . . . 86 SER CA . 16868 1 1053 . 1 1 86 86 SER CB C 13 64.29 0.2 . 1 . . . . 86 SER CB . 16868 1 1054 . 1 1 86 86 SER N N 15 114.52 0.1 . 1 . . . . 86 SER N . 16868 1 1055 . 1 1 87 87 LEU H H 1 7.10 0.03 . 1 . . . . 87 LEU H . 16868 1 1056 . 1 1 87 87 LEU HA H 1 4.23 0.03 . 1 . . . . 87 LEU HA . 16868 1 1057 . 1 1 87 87 LEU HB2 H 1 1.13 0.03 . 2 . . . . 87 LEU HB2 . 16868 1 1058 . 1 1 87 87 LEU HB3 H 1 1.63 0.03 . 2 . . . . 87 LEU HB3 . 16868 1 1059 . 1 1 87 87 LEU HD11 H 1 0.93 0.03 . 2 . . . . 87 LEU MD1 . 16868 1 1060 . 1 1 87 87 LEU HD12 H 1 0.93 0.03 . 2 . . . . 87 LEU MD1 . 16868 1 1061 . 1 1 87 87 LEU HD13 H 1 0.93 0.03 . 2 . . . . 87 LEU MD1 . 16868 1 1062 . 1 1 87 87 LEU HD21 H 1 0.84 0.03 . 2 . . . . 87 LEU MD2 . 16868 1 1063 . 1 1 87 87 LEU HD22 H 1 0.84 0.03 . 2 . . . . 87 LEU MD2 . 16868 1 1064 . 1 1 87 87 LEU HD23 H 1 0.84 0.03 . 2 . . . . 87 LEU MD2 . 16868 1 1065 . 1 1 87 87 LEU C C 13 175.05 0.2 . 1 . . . . 87 LEU C . 16868 1 1066 . 1 1 87 87 LEU CA C 13 55.62 0.2 . 1 . . . . 87 LEU CA . 16868 1 1067 . 1 1 87 87 LEU CB C 13 43.29 0.2 . 1 . . . . 87 LEU CB . 16868 1 1068 . 1 1 87 87 LEU CD1 C 13 27.84 0.2 . 2 . . . . 87 LEU CD1 . 16868 1 1069 . 1 1 87 87 LEU CD2 C 13 22.80 0.2 . 2 . . . . 87 LEU CD2 . 16868 1 1070 . 1 1 87 87 LEU N N 15 122.37 0.1 . 1 . . . . 87 LEU N . 16868 1 1071 . 1 1 88 88 ASN H H 1 9.22 0.03 . 1 . . . . 88 ASN H . 16868 1 1072 . 1 1 88 88 ASN HA H 1 4.86 0.03 . 1 . . . . 88 ASN HA . 16868 1 1073 . 1 1 88 88 ASN HB2 H 1 2.48 0.03 . 2 . . . . 88 ASN HB2 . 16868 1 1074 . 1 1 88 88 ASN HB3 H 1 2.65 0.03 . 2 . . . . 88 ASN HB3 . 16868 1 1075 . 1 1 88 88 ASN C C 13 174.51 0.2 . 1 . . . . 88 ASN C . 16868 1 1076 . 1 1 88 88 ASN CA C 13 51.15 0.2 . 1 . . . . 88 ASN CA . 16868 1 1077 . 1 1 88 88 ASN CB C 13 43.16 0.2 . 1 . . . . 88 ASN CB . 16868 1 1078 . 1 1 88 88 ASN N N 15 118.69 0.1 . 1 . . . . 88 ASN N . 16868 1 1079 . 1 1 89 89 LEU H H 1 8.35 0.03 . 1 . . . . 89 LEU H . 16868 1 1080 . 1 1 89 89 LEU HA H 1 3.65 0.03 . 1 . . . . 89 LEU HA . 16868 1 1081 . 1 1 89 89 LEU HB2 H 1 1.61 0.03 . 2 . . . . 89 LEU HB2 . 16868 1 1082 . 1 1 89 89 LEU HB3 H 1 1.37 0.03 . 2 . . . . 89 LEU HB3 . 16868 1 1083 . 1 1 89 89 LEU HD11 H 1 0.93 0.03 . 2 . . . . 89 LEU MD1 . 16868 1 1084 . 1 1 89 89 LEU HD12 H 1 0.93 0.03 . 2 . . . . 89 LEU MD1 . 16868 1 1085 . 1 1 89 89 LEU HD13 H 1 0.93 0.03 . 2 . . . . 89 LEU MD1 . 16868 1 1086 . 1 1 89 89 LEU HD21 H 1 0.74 0.03 . 2 . . . . 89 LEU MD2 . 16868 1 1087 . 1 1 89 89 LEU HD22 H 1 0.74 0.03 . 2 . . . . 89 LEU MD2 . 16868 1 1088 . 1 1 89 89 LEU HD23 H 1 0.74 0.03 . 2 . . . . 89 LEU MD2 . 16868 1 1089 . 1 1 89 89 LEU C C 13 178.62 0.2 . 1 . . . . 89 LEU C . 16868 1 1090 . 1 1 89 89 LEU CA C 13 56.53 0.2 . 1 . . . . 89 LEU CA . 16868 1 1091 . 1 1 89 89 LEU CB C 13 41.54 0.2 . 1 . . . . 89 LEU CB . 16868 1 1092 . 1 1 89 89 LEU CD1 C 13 25.50 0.2 . 2 . . . . 89 LEU CD1 . 16868 1 1093 . 1 1 89 89 LEU CD2 C 13 24.55 0.2 . 2 . . . . 89 LEU CD2 . 16868 1 1094 . 1 1 89 89 LEU N N 15 117.98 0.1 . 1 . . . . 89 LEU N . 16868 1 1095 . 1 1 90 90 GLY H H 1 8.74 0.03 . 1 . . . . 90 GLY H . 16868 1 1096 . 1 1 90 90 GLY HA2 H 1 3.42 0.03 . 2 . . . . 90 GLY HA2 . 16868 1 1097 . 1 1 90 90 GLY HA3 H 1 4.27 0.03 . 2 . . . . 90 GLY HA3 . 16868 1 1098 . 1 1 90 90 GLY C C 13 173.97 0.2 . 1 . . . . 90 GLY C . 16868 1 1099 . 1 1 90 90 GLY CA C 13 45.07 0.2 . 1 . . . . 90 GLY CA . 16868 1 1100 . 1 1 90 90 GLY N N 15 112.17 0.1 . 1 . . . . 90 GLY N . 16868 1 1101 . 1 1 91 91 ASP H H 1 7.55 0.03 . 1 . . . . 91 ASP H . 16868 1 1102 . 1 1 91 91 ASP HA H 1 4.75 0.03 . 1 . . . . 91 ASP HA . 16868 1 1103 . 1 1 91 91 ASP HB2 H 1 2.80 0.03 . 2 . . . . 91 ASP HB2 . 16868 1 1104 . 1 1 91 91 ASP HB3 H 1 2.87 0.03 . 2 . . . . 91 ASP HB3 . 16868 1 1105 . 1 1 91 91 ASP C C 13 172.89 0.2 . 1 . . . . 91 ASP C . 16868 1 1106 . 1 1 91 91 ASP CA C 13 54.42 0.2 . 1 . . . . 91 ASP CA . 16868 1 1107 . 1 1 91 91 ASP CB C 13 42.54 0.2 . 1 . . . . 91 ASP CB . 16868 1 1108 . 1 1 91 91 ASP N N 15 119.23 0.1 . 1 . . . . 91 ASP N . 16868 1 1109 . 1 1 92 92 TYR H H 1 8.29 0.03 . 1 . . . . 92 TYR H . 16868 1 1110 . 1 1 92 92 TYR HA H 1 5.49 0.03 . 1 . . . . 92 TYR HA . 16868 1 1111 . 1 1 92 92 TYR HB2 H 1 2.60 0.03 . 2 . . . . 92 TYR HB2 . 16868 1 1112 . 1 1 92 92 TYR HB3 H 1 2.60 0.03 . 2 . . . . 92 TYR HB3 . 16868 1 1113 . 1 1 92 92 TYR HD1 H 1 6.86 0.03 . 1 . . . . 92 TYR HD1 . 16868 1 1114 . 1 1 92 92 TYR HD2 H 1 6.86 0.03 . 1 . . . . 92 TYR HD2 . 16868 1 1115 . 1 1 92 92 TYR HE1 H 1 6.78 0.03 . 1 . . . . 92 TYR HE1 . 16868 1 1116 . 1 1 92 92 TYR HE2 H 1 6.78 0.03 . 1 . . . . 92 TYR HE2 . 16868 1 1117 . 1 1 92 92 TYR C C 13 176.91 0.2 . 1 . . . . 92 TYR C . 16868 1 1118 . 1 1 92 92 TYR CA C 13 57.43 0.2 . 1 . . . . 92 TYR CA . 16868 1 1119 . 1 1 92 92 TYR CB C 13 41.35 0.2 . 1 . . . . 92 TYR CB . 16868 1 1120 . 1 1 92 92 TYR N N 15 113.08 0.1 . 1 . . . . 92 TYR N . 16868 1 1121 . 1 1 93 93 VAL H H 1 9.08 0.03 . 1 . . . . 93 VAL H . 16868 1 1122 . 1 1 93 93 VAL HA H 1 4.25 0.03 . 1 . . . . 93 VAL HA . 16868 1 1123 . 1 1 93 93 VAL HB H 1 2.01 0.03 . 1 . . . . 93 VAL HB . 16868 1 1124 . 1 1 93 93 VAL HG11 H 1 0.95 0.03 . 2 . . . . 93 VAL MG1 . 16868 1 1125 . 1 1 93 93 VAL HG12 H 1 0.95 0.03 . 2 . . . . 93 VAL MG1 . 16868 1 1126 . 1 1 93 93 VAL HG13 H 1 0.95 0.03 . 2 . . . . 93 VAL MG1 . 16868 1 1127 . 1 1 93 93 VAL HG21 H 1 0.89 0.03 . 2 . . . . 93 VAL MG2 . 16868 1 1128 . 1 1 93 93 VAL HG22 H 1 0.89 0.03 . 2 . . . . 93 VAL MG2 . 16868 1 1129 . 1 1 93 93 VAL HG23 H 1 0.89 0.03 . 2 . . . . 93 VAL MG2 . 16868 1 1130 . 1 1 93 93 VAL C C 13 175.63 0.2 . 1 . . . . 93 VAL C . 16868 1 1131 . 1 1 93 93 VAL CA C 13 61.86 0.2 . 1 . . . . 93 VAL CA . 16868 1 1132 . 1 1 93 93 VAL CB C 13 33.90 0.2 . 1 . . . . 93 VAL CB . 16868 1 1133 . 1 1 93 93 VAL CG1 C 13 22.87 0.2 . 2 . . . . 93 VAL CG1 . 16868 1 1134 . 1 1 93 93 VAL CG2 C 13 21.29 0.2 . 2 . . . . 93 VAL CG2 . 16868 1 1135 . 1 1 93 93 VAL N N 15 121.74 0.1 . 1 . . . . 93 VAL N . 16868 1 1136 . 1 1 94 94 GLU H H 1 8.85 0.03 . 1 . . . . 94 GLU H . 16868 1 1137 . 1 1 94 94 GLU HA H 1 6.06 0.03 . 1 . . . . 94 GLU HA . 16868 1 1138 . 1 1 94 94 GLU HB2 H 1 1.87 0.03 . 2 . . . . 94 GLU HB2 . 16868 1 1139 . 1 1 94 94 GLU HB3 H 1 1.92 0.03 . 2 . . . . 94 GLU HB3 . 16868 1 1140 . 1 1 94 94 GLU HG2 H 1 2.02 0.03 . 2 . . . . 94 GLU HG2 . 16868 1 1141 . 1 1 94 94 GLU HG3 H 1 2.21 0.03 . 2 . . . . 94 GLU HG3 . 16868 1 1142 . 1 1 94 94 GLU C C 13 175.94 0.2 . 1 . . . . 94 GLU C . 16868 1 1143 . 1 1 94 94 GLU CA C 13 54.42 0.2 . 1 . . . . 94 GLU CA . 16868 1 1144 . 1 1 94 94 GLU CB C 13 35.13 0.2 . 1 . . . . 94 GLU CB . 16868 1 1145 . 1 1 94 94 GLU CG C 13 37.37 0.2 . 1 . . . . 94 GLU CG . 16868 1 1146 . 1 1 94 94 GLU N N 15 123.98 0.1 . 1 . . . . 94 GLU N . 16868 1 1147 . 1 1 95 95 ASP H H 1 9.14 0.03 . 1 . . . . 95 ASP H . 16868 1 1148 . 1 1 95 95 ASP HA H 1 5.22 0.03 . 1 . . . . 95 ASP HA . 16868 1 1149 . 1 1 95 95 ASP HB2 H 1 2.77 0.03 . 2 . . . . 95 ASP HB2 . 16868 1 1150 . 1 1 95 95 ASP HB3 H 1 2.82 0.03 . 2 . . . . 95 ASP HB3 . 16868 1 1151 . 1 1 95 95 ASP C C 13 174.87 0.2 . 1 . . . . 95 ASP C . 16868 1 1152 . 1 1 95 95 ASP CA C 13 53.12 0.2 . 1 . . . . 95 ASP CA . 16868 1 1153 . 1 1 95 95 ASP CB C 13 45.03 0.2 . 1 . . . . 95 ASP CB . 16868 1 1154 . 1 1 95 95 ASP N N 15 120.86 0.1 . 1 . . . . 95 ASP N . 16868 1 1155 . 1 1 96 96 GLN H H 1 8.91 0.03 . 1 . . . . 96 GLN H . 16868 1 1156 . 1 1 96 96 GLN HA H 1 4.33 0.03 . 1 . . . . 96 GLN HA . 16868 1 1157 . 1 1 96 96 GLN HB2 H 1 1.92 0.03 . 2 . . . . 96 GLN HB2 . 16868 1 1158 . 1 1 96 96 GLN HB3 H 1 1.92 0.03 . 2 . . . . 96 GLN HB3 . 16868 1 1159 . 1 1 96 96 GLN HG2 H 1 2.44 0.03 . 2 . . . . 96 GLN HG2 . 16868 1 1160 . 1 1 96 96 GLN HG3 H 1 2.49 0.03 . 2 . . . . 96 GLN HG3 . 16868 1 1161 . 1 1 96 96 GLN C C 13 175.82 0.2 . 1 . . . . 96 GLN C . 16868 1 1162 . 1 1 96 96 GLN CA C 13 57.43 0.2 . 1 . . . . 96 GLN CA . 16868 1 1163 . 1 1 96 96 GLN CB C 13 28.02 0.2 . 1 . . . . 96 GLN CB . 16868 1 1164 . 1 1 96 96 GLN CG C 13 33.25 0.2 . 1 . . . . 96 GLN CG . 16868 1 1165 . 1 1 96 96 GLN N N 15 127.19 0.1 . 1 . . . . 96 GLN N . 16868 1 1166 . 1 1 97 97 ILE H H 1 8.28 0.03 . 1 . . . . 97 ILE H . 16868 1 1167 . 1 1 97 97 ILE HA H 1 4.70 0.03 . 1 . . . . 97 ILE HA . 16868 1 1168 . 1 1 97 97 ILE HB H 1 2.00 0.03 . 1 . . . . 97 ILE HB . 16868 1 1169 . 1 1 97 97 ILE HD11 H 1 0.62 0.03 . 1 . . . . 97 ILE MD . 16868 1 1170 . 1 1 97 97 ILE HD12 H 1 0.62 0.03 . 1 . . . . 97 ILE MD . 16868 1 1171 . 1 1 97 97 ILE HD13 H 1 0.62 0.03 . 1 . . . . 97 ILE MD . 16868 1 1172 . 1 1 97 97 ILE HG12 H 1 1.08 0.03 . 2 . . . . 97 ILE HG12 . 16868 1 1173 . 1 1 97 97 ILE HG13 H 1 1.08 0.03 . 2 . . . . 97 ILE HG13 . 16868 1 1174 . 1 1 97 97 ILE HG21 H 1 0.87 0.03 . 1 . . . . 97 ILE MG . 16868 1 1175 . 1 1 97 97 ILE HG22 H 1 0.87 0.03 . 1 . . . . 97 ILE MG . 16868 1 1176 . 1 1 97 97 ILE HG23 H 1 0.87 0.03 . 1 . . . . 97 ILE MG . 16868 1 1177 . 1 1 97 97 ILE C C 13 174.12 0.2 . 1 . . . . 97 ILE C . 16868 1 1178 . 1 1 97 97 ILE CA C 13 59.50 0.2 . 1 . . . . 97 ILE CA . 16868 1 1179 . 1 1 97 97 ILE CB C 13 41.60 0.2 . 1 . . . . 97 ILE CB . 16868 1 1180 . 1 1 97 97 ILE CD1 C 13 13.35 0.2 . 1 . . . . 97 ILE CD1 . 16868 1 1181 . 1 1 97 97 ILE CG1 C 13 25.33 0.2 . 1 . . . . 97 ILE CG1 . 16868 1 1182 . 1 1 97 97 ILE CG2 C 13 18.22 0.2 . 1 . . . . 97 ILE CG2 . 16868 1 1183 . 1 1 97 97 ILE N N 15 120.92 0.1 . 1 . . . . 97 ILE N . 16868 1 1184 . 1 1 98 98 GLU H H 1 8.19 0.03 . 1 . . . . 98 GLU H . 16868 1 1185 . 1 1 98 98 GLU HA H 1 4.05 0.03 . 1 . . . . 98 GLU HA . 16868 1 1186 . 1 1 98 98 GLU HB2 H 1 1.94 0.03 . 2 . . . . 98 GLU HB2 . 16868 1 1187 . 1 1 98 98 GLU HB3 H 1 1.94 0.03 . 2 . . . . 98 GLU HB3 . 16868 1 1188 . 1 1 98 98 GLU HG2 H 1 2.30 0.03 . 2 . . . . 98 GLU HG2 . 16868 1 1189 . 1 1 98 98 GLU HG3 H 1 2.30 0.03 . 2 . . . . 98 GLU HG3 . 16868 1 1190 . 1 1 98 98 GLU C C 13 176.77 0.2 . 1 . . . . 98 GLU C . 16868 1 1191 . 1 1 98 98 GLU CA C 13 57.34 0.2 . 1 . . . . 98 GLU CA . 16868 1 1192 . 1 1 98 98 GLU CB C 13 30.22 0.2 . 1 . . . . 98 GLU CB . 16868 1 1193 . 1 1 98 98 GLU CG C 13 36.47 0.2 . 1 . . . . 98 GLU CG . 16868 1 1194 . 1 1 98 98 GLU N N 15 120.48 0.1 . 1 . . . . 98 GLU N . 16868 1 1195 . 1 1 99 99 SER H H 1 8.54 0.03 . 1 . . . . 99 SER H . 16868 1 1196 . 1 1 99 99 SER HA H 1 4.83 0.03 . 1 . . . . 99 SER HA . 16868 1 1197 . 1 1 99 99 SER HB2 H 1 3.59 0.03 . 2 . . . . 99 SER HB2 . 16868 1 1198 . 1 1 99 99 SER HB3 H 1 3.98 0.03 . 2 . . . . 99 SER HB3 . 16868 1 1199 . 1 1 99 99 SER C C 13 175.72 0.2 . 1 . . . . 99 SER C . 16868 1 1200 . 1 1 99 99 SER CA C 13 57.78 0.2 . 1 . . . . 99 SER CA . 16868 1 1201 . 1 1 99 99 SER CB C 13 64.82 0.2 . 1 . . . . 99 SER CB . 16868 1 1202 . 1 1 99 99 SER N N 15 120.30 0.1 . 1 . . . . 99 SER N . 16868 1 1203 . 1 1 100 100 VAL H H 1 9.40 0.03 . 1 . . . . 100 VAL H . 16868 1 1204 . 1 1 100 100 VAL HA H 1 4.31 0.03 . 1 . . . . 100 VAL HA . 16868 1 1205 . 1 1 100 100 VAL HB H 1 2.39 0.03 . 1 . . . . 100 VAL HB . 16868 1 1206 . 1 1 100 100 VAL HG11 H 1 1.04 0.03 . 2 . . . . 100 VAL MG1 . 16868 1 1207 . 1 1 100 100 VAL HG12 H 1 1.04 0.03 . 2 . . . . 100 VAL MG1 . 16868 1 1208 . 1 1 100 100 VAL HG13 H 1 1.04 0.03 . 2 . . . . 100 VAL MG1 . 16868 1 1209 . 1 1 100 100 VAL HG21 H 1 0.96 0.03 . 2 . . . . 100 VAL MG2 . 16868 1 1210 . 1 1 100 100 VAL HG22 H 1 0.96 0.03 . 2 . . . . 100 VAL MG2 . 16868 1 1211 . 1 1 100 100 VAL HG23 H 1 0.96 0.03 . 2 . . . . 100 VAL MG2 . 16868 1 1212 . 1 1 100 100 VAL CA C 13 61.51 0.2 . 1 . . . . 100 VAL CA . 16868 1 1213 . 1 1 100 100 VAL CB C 13 32.45 0.2 . 1 . . . . 100 VAL CB . 16868 1 1214 . 1 1 100 100 VAL CG1 C 13 22.01 0.2 . 2 . . . . 100 VAL CG1 . 16868 1 1215 . 1 1 100 100 VAL CG2 C 13 18.52 0.2 . 2 . . . . 100 VAL CG2 . 16868 1 1216 . 1 1 100 100 VAL N N 15 119.89 0.1 . 1 . . . . 100 VAL N . 16868 1 1217 . 1 1 101 101 THR HA H 1 4.36 0.03 . 1 . . . . 101 THR HA . 16868 1 1218 . 1 1 101 101 THR HB H 1 4.09 0.03 . 1 . . . . 101 THR HB . 16868 1 1219 . 1 1 101 101 THR HG21 H 1 1.22 0.03 . 1 . . . . 101 THR MG . 16868 1 1220 . 1 1 101 101 THR HG22 H 1 1.22 0.03 . 1 . . . . 101 THR MG . 16868 1 1221 . 1 1 101 101 THR HG23 H 1 1.22 0.03 . 1 . . . . 101 THR MG . 16868 1 1222 . 1 1 101 101 THR CA C 13 62.00 0.2 . 1 . . . . 101 THR CA . 16868 1 1223 . 1 1 101 101 THR CB C 13 69.70 0.2 . 1 . . . . 101 THR CB . 16868 1 1224 . 1 1 102 102 PHE H H 1 9.53 0.03 . 1 . . . . 102 PHE H . 16868 1 1225 . 1 1 102 102 PHE HA H 1 4.55 0.03 . 1 . . . . 102 PHE HA . 16868 1 1226 . 1 1 102 102 PHE HB2 H 1 2.96 0.03 . 2 . . . . 102 PHE HB2 . 16868 1 1227 . 1 1 102 102 PHE HB3 H 1 3.43 0.03 . 2 . . . . 102 PHE HB3 . 16868 1 1228 . 1 1 102 102 PHE HD1 H 1 7.07 0.03 . 1 . . . . 102 PHE HD1 . 16868 1 1229 . 1 1 102 102 PHE HD2 H 1 7.07 0.03 . 1 . . . . 102 PHE HD2 . 16868 1 1230 . 1 1 102 102 PHE HE1 H 1 6.98 0.03 . 1 . . . . 102 PHE HE1 . 16868 1 1231 . 1 1 102 102 PHE HE2 H 1 6.98 0.03 . 1 . . . . 102 PHE HE2 . 16868 1 1232 . 1 1 102 102 PHE HZ H 1 6.97 0.03 . 1 . . . . 102 PHE HZ . 16868 1 1233 . 1 1 102 102 PHE CA C 13 57.80 0.2 . 1 . . . . 102 PHE CA . 16868 1 1234 . 1 1 102 102 PHE CB C 13 38.90 0.2 . 1 . . . . 102 PHE CB . 16868 1 1235 . 1 1 102 102 PHE N N 15 129.10 0.1 . 1 . . . . 102 PHE N . 16868 1 1236 . 1 1 105 105 ILE HA H 1 3.92 0.03 . 1 . . . . 105 ILE HA . 16868 1 1237 . 1 1 105 105 ILE HB H 1 1.94 0.03 . 1 . . . . 105 ILE HB . 16868 1 1238 . 1 1 105 105 ILE HD11 H 1 0.78 0.03 . 1 . . . . 105 ILE MD . 16868 1 1239 . 1 1 105 105 ILE HD12 H 1 0.78 0.03 . 1 . . . . 105 ILE MD . 16868 1 1240 . 1 1 105 105 ILE HD13 H 1 0.78 0.03 . 1 . . . . 105 ILE MD . 16868 1 1241 . 1 1 105 105 ILE HG12 H 1 1.19 0.03 . 2 . . . . 105 ILE HG12 . 16868 1 1242 . 1 1 105 105 ILE HG13 H 1 1.27 0.03 . 2 . . . . 105 ILE HG13 . 16868 1 1243 . 1 1 105 105 ILE HG21 H 1 0.85 0.03 . 1 . . . . 105 ILE MG . 16868 1 1244 . 1 1 105 105 ILE HG22 H 1 0.85 0.03 . 1 . . . . 105 ILE MG . 16868 1 1245 . 1 1 105 105 ILE HG23 H 1 0.85 0.03 . 1 . . . . 105 ILE MG . 16868 1 1246 . 1 1 105 105 ILE CA C 13 63.09 0.2 . 1 . . . . 105 ILE CA . 16868 1 1247 . 1 1 105 105 ILE CB C 13 37.01 0.2 . 1 . . . . 105 ILE CB . 16868 1 1248 . 1 1 105 105 ILE CD1 C 13 12.36 0.2 . 1 . . . . 105 ILE CD1 . 16868 1 1249 . 1 1 105 105 ILE CG1 C 13 28.32 0.2 . 1 . . . . 105 ILE CG1 . 16868 1 1250 . 1 1 105 105 ILE CG2 C 13 17.38 0.2 . 1 . . . . 105 ILE CG2 . 16868 1 1251 . 1 1 109 109 THR H H 1 8.08 0.03 . 1 . . . . 109 THR H . 16868 1 1252 . 1 1 109 109 THR HA H 1 4.03 0.03 . 1 . . . . 109 THR HA . 16868 1 1253 . 1 1 109 109 THR C C 13 176.08 0.2 . 1 . . . . 109 THR C . 16868 1 1254 . 1 1 109 109 THR N N 15 115.59 0.1 . 1 . . . . 109 THR N . 16868 1 1255 . 1 1 110 110 ALA H H 1 8.31 0.03 . 1 . . . . 110 ALA H . 16868 1 1256 . 1 1 110 110 ALA HA H 1 3.98 0.03 . 1 . . . . 110 ALA HA . 16868 1 1257 . 1 1 110 110 ALA HB1 H 1 1.42 0.03 . 1 . . . . 110 ALA MB . 16868 1 1258 . 1 1 110 110 ALA HB2 H 1 1.42 0.03 . 1 . . . . 110 ALA MB . 16868 1 1259 . 1 1 110 110 ALA HB3 H 1 1.42 0.03 . 1 . . . . 110 ALA MB . 16868 1 1260 . 1 1 110 110 ALA C C 13 178.89 0.2 . 1 . . . . 110 ALA C . 16868 1 1261 . 1 1 110 110 ALA CA C 13 54.97 0.2 . 1 . . . . 110 ALA CA . 16868 1 1262 . 1 1 110 110 ALA CB C 13 18.02 0.2 . 1 . . . . 110 ALA CB . 16868 1 1263 . 1 1 110 110 ALA N N 15 123.41 0.1 . 1 . . . . 110 ALA N . 16868 1 1264 . 1 1 111 111 LYS H H 1 8.22 0.03 . 1 . . . . 111 LYS H . 16868 1 1265 . 1 1 111 111 LYS HA H 1 3.80 0.03 . 1 . . . . 111 LYS HA . 16868 1 1266 . 1 1 111 111 LYS HB2 H 1 1.94 0.03 . 2 . . . . 111 LYS HB2 . 16868 1 1267 . 1 1 111 111 LYS HB3 H 1 2.03 0.03 . 2 . . . . 111 LYS HB3 . 16868 1 1268 . 1 1 111 111 LYS HD2 H 1 1.43 0.03 . 2 . . . . 111 LYS HD2 . 16868 1 1269 . 1 1 111 111 LYS HD3 H 1 1.70 0.03 . 2 . . . . 111 LYS HD3 . 16868 1 1270 . 1 1 111 111 LYS HE2 H 1 3.03 0.03 . 2 . . . . 111 LYS HE2 . 16868 1 1271 . 1 1 111 111 LYS HE3 H 1 3.06 0.03 . 2 . . . . 111 LYS HE3 . 16868 1 1272 . 1 1 111 111 LYS HG2 H 1 1.80 0.03 . 2 . . . . 111 LYS HG2 . 16868 1 1273 . 1 1 111 111 LYS HG3 H 1 1.86 0.03 . 2 . . . . 111 LYS HG3 . 16868 1 1274 . 1 1 111 111 LYS C C 13 178.07 0.2 . 1 . . . . 111 LYS C . 16868 1 1275 . 1 1 111 111 LYS CA C 13 60.47 0.2 . 1 . . . . 111 LYS CA . 16868 1 1276 . 1 1 111 111 LYS CB C 13 32.12 0.2 . 1 . . . . 111 LYS CB . 16868 1 1277 . 1 1 111 111 LYS CD C 13 29.65 0.2 . 1 . . . . 111 LYS CD . 16868 1 1278 . 1 1 111 111 LYS CE C 13 41.69 0.2 . 1 . . . . 111 LYS CE . 16868 1 1279 . 1 1 111 111 LYS CG C 13 26.14 0.2 . 1 . . . . 111 LYS CG . 16868 1 1280 . 1 1 111 111 LYS N N 15 116.72 0.1 . 1 . . . . 111 LYS N . 16868 1 1281 . 1 1 112 112 GLN H H 1 7.70 0.03 . 1 . . . . 112 GLN H . 16868 1 1282 . 1 1 112 112 GLN HA H 1 4.07 0.03 . 1 . . . . 112 GLN HA . 16868 1 1283 . 1 1 112 112 GLN C C 13 178.59 0.2 . 1 . . . . 112 GLN C . 16868 1 1284 . 1 1 112 112 GLN CA C 13 58.69 0.2 . 1 . . . . 112 GLN CA . 16868 1 1285 . 1 1 112 112 GLN CB C 13 28.18 0.2 . 1 . . . . 112 GLN CB . 16868 1 1286 . 1 1 112 112 GLN N N 15 117.52 0.1 . 1 . . . . 112 GLN N . 16868 1 1287 . 1 1 113 113 VAL H H 1 7.90 0.03 . 1 . . . . 113 VAL H . 16868 1 1288 . 1 1 113 113 VAL HA H 1 3.78 0.03 . 1 . . . . 113 VAL HA . 16868 1 1289 . 1 1 113 113 VAL HB H 1 2.01 0.03 . 1 . . . . 113 VAL HB . 16868 1 1290 . 1 1 113 113 VAL HG11 H 1 1.04 0.03 . 2 . . . . 113 VAL MG1 . 16868 1 1291 . 1 1 113 113 VAL HG12 H 1 1.04 0.03 . 2 . . . . 113 VAL MG1 . 16868 1 1292 . 1 1 113 113 VAL HG13 H 1 1.04 0.03 . 2 . . . . 113 VAL MG1 . 16868 1 1293 . 1 1 113 113 VAL HG21 H 1 0.85 0.03 . 2 . . . . 113 VAL MG2 . 16868 1 1294 . 1 1 113 113 VAL HG22 H 1 0.85 0.03 . 2 . . . . 113 VAL MG2 . 16868 1 1295 . 1 1 113 113 VAL HG23 H 1 0.85 0.03 . 2 . . . . 113 VAL MG2 . 16868 1 1296 . 1 1 113 113 VAL C C 13 178.24 0.2 . 1 . . . . 113 VAL C . 16868 1 1297 . 1 1 113 113 VAL CA C 13 65.81 0.2 . 1 . . . . 113 VAL CA . 16868 1 1298 . 1 1 113 113 VAL CB C 13 31.93 0.2 . 1 . . . . 113 VAL CB . 16868 1 1299 . 1 1 113 113 VAL CG1 C 13 22.73 0.2 . 2 . . . . 113 VAL CG1 . 16868 1 1300 . 1 1 113 113 VAL CG2 C 13 22.51 0.2 . 2 . . . . 113 VAL CG2 . 16868 1 1301 . 1 1 113 113 VAL N N 15 120.48 0.1 . 1 . . . . 113 VAL N . 16868 1 1302 . 1 1 114 114 ILE H H 1 8.11 0.03 . 1 . . . . 114 ILE H . 16868 1 1303 . 1 1 114 114 ILE HA H 1 3.54 0.03 . 1 . . . . 114 ILE HA . 16868 1 1304 . 1 1 114 114 ILE HB H 1 1.95 0.03 . 1 . . . . 114 ILE HB . 16868 1 1305 . 1 1 114 114 ILE HD11 H 1 0.70 0.03 . 1 . . . . 114 ILE MD . 16868 1 1306 . 1 1 114 114 ILE HD12 H 1 0.70 0.03 . 1 . . . . 114 ILE MD . 16868 1 1307 . 1 1 114 114 ILE HD13 H 1 0.70 0.03 . 1 . . . . 114 ILE MD . 16868 1 1308 . 1 1 114 114 ILE HG12 H 1 1.68 0.03 . 2 . . . . 114 ILE HG12 . 16868 1 1309 . 1 1 114 114 ILE HG13 H 1 1.68 0.03 . 2 . . . . 114 ILE HG13 . 16868 1 1310 . 1 1 114 114 ILE HG21 H 1 0.81 0.03 . 1 . . . . 114 ILE MG . 16868 1 1311 . 1 1 114 114 ILE HG22 H 1 0.81 0.03 . 1 . . . . 114 ILE MG . 16868 1 1312 . 1 1 114 114 ILE HG23 H 1 0.81 0.03 . 1 . . . . 114 ILE MG . 16868 1 1313 . 1 1 114 114 ILE C C 13 177.27 0.2 . 1 . . . . 114 ILE C . 16868 1 1314 . 1 1 114 114 ILE CA C 13 64.74 0.2 . 1 . . . . 114 ILE CA . 16868 1 1315 . 1 1 114 114 ILE CB C 13 37.77 0.2 . 1 . . . . 114 ILE CB . 16868 1 1316 . 1 1 114 114 ILE CD1 C 13 13.94 0.2 . 1 . . . . 114 ILE CD1 . 16868 1 1317 . 1 1 114 114 ILE CG1 C 13 28.97 0.2 . 1 . . . . 114 ILE CG1 . 16868 1 1318 . 1 1 114 114 ILE CG2 C 13 17.81 0.2 . 1 . . . . 114 ILE CG2 . 16868 1 1319 . 1 1 114 114 ILE N N 15 119.87 0.1 . 1 . . . . 114 ILE N . 16868 1 1320 . 1 1 115 115 VAL H H 1 7.99 0.03 . 1 . . . . 115 VAL H . 16868 1 1321 . 1 1 115 115 VAL HA H 1 3.56 0.03 . 1 . . . . 115 VAL HA . 16868 1 1322 . 1 1 115 115 VAL HB H 1 2.15 0.03 . 1 . . . . 115 VAL HB . 16868 1 1323 . 1 1 115 115 VAL HG11 H 1 1.05 0.03 . 2 . . . . 115 VAL MG1 . 16868 1 1324 . 1 1 115 115 VAL HG12 H 1 1.05 0.03 . 2 . . . . 115 VAL MG1 . 16868 1 1325 . 1 1 115 115 VAL HG13 H 1 1.05 0.03 . 2 . . . . 115 VAL MG1 . 16868 1 1326 . 1 1 115 115 VAL HG21 H 1 0.94 0.03 . 2 . . . . 115 VAL MG2 . 16868 1 1327 . 1 1 115 115 VAL HG22 H 1 0.94 0.03 . 2 . . . . 115 VAL MG2 . 16868 1 1328 . 1 1 115 115 VAL HG23 H 1 0.94 0.03 . 2 . . . . 115 VAL MG2 . 16868 1 1329 . 1 1 115 115 VAL C C 13 178.03 0.2 . 1 . . . . 115 VAL C . 16868 1 1330 . 1 1 115 115 VAL CA C 13 66.36 0.2 . 1 . . . . 115 VAL CA . 16868 1 1331 . 1 1 115 115 VAL CB C 13 31.67 0.2 . 1 . . . . 115 VAL CB . 16868 1 1332 . 1 1 115 115 VAL CG1 C 13 21.54 0.2 . 2 . . . . 115 VAL CG1 . 16868 1 1333 . 1 1 115 115 VAL CG2 C 13 20.46 0.2 . 2 . . . . 115 VAL CG2 . 16868 1 1334 . 1 1 115 115 VAL N N 15 118.71 0.1 . 1 . . . . 115 VAL N . 16868 1 1335 . 1 1 116 116 GLN H H 1 7.83 0.03 . 1 . . . . 116 GLN H . 16868 1 1336 . 1 1 116 116 GLN HA H 1 4.05 0.03 . 1 . . . . 116 GLN HA . 16868 1 1337 . 1 1 116 116 GLN HB2 H 1 2.21 0.03 . 2 . . . . 116 GLN HB2 . 16868 1 1338 . 1 1 116 116 GLN HB3 H 1 2.21 0.03 . 2 . . . . 116 GLN HB3 . 16868 1 1339 . 1 1 116 116 GLN HG2 H 1 2.43 0.03 . 2 . . . . 116 GLN HG2 . 16868 1 1340 . 1 1 116 116 GLN HG3 H 1 2.43 0.03 . 2 . . . . 116 GLN HG3 . 16868 1 1341 . 1 1 116 116 GLN C C 13 178.36 0.2 . 1 . . . . 116 GLN C . 16868 1 1342 . 1 1 116 116 GLN CA C 13 58.62 0.2 . 1 . . . . 116 GLN CA . 16868 1 1343 . 1 1 116 116 GLN CB C 13 28.21 0.2 . 1 . . . . 116 GLN CB . 16868 1 1344 . 1 1 116 116 GLN CG C 13 33.59 0.2 . 1 . . . . 116 GLN CG . 16868 1 1345 . 1 1 116 116 GLN N N 15 119.50 0.1 . 1 . . . . 116 GLN N . 16868 1 1346 . 1 1 117 117 LYS H H 1 8.24 0.03 . 1 . . . . 117 LYS H . 16868 1 1347 . 1 1 117 117 LYS HA H 1 4.15 0.03 . 1 . . . . 117 LYS HA . 16868 1 1348 . 1 1 117 117 LYS HE3 H 1 3.19 0.03 . 2 . . . . 117 LYS HE3 . 16868 1 1349 . 1 1 117 117 LYS C C 13 179.78 0.2 . 1 . . . . 117 LYS C . 16868 1 1350 . 1 1 117 117 LYS CA C 13 58.11 0.2 . 1 . . . . 117 LYS CA . 16868 1 1351 . 1 1 117 117 LYS CB C 13 31.83 0.2 . 1 . . . . 117 LYS CB . 16868 1 1352 . 1 1 117 117 LYS N N 15 119.51 0.1 . 1 . . . . 117 LYS N . 16868 1 1353 . 1 1 118 118 VAL H H 1 8.43 0.03 . 1 . . . . 118 VAL H . 16868 1 1354 . 1 1 118 118 VAL HA H 1 3.71 0.03 . 1 . . . . 118 VAL HA . 16868 1 1355 . 1 1 118 118 VAL HB H 1 2.22 0.03 . 1 . . . . 118 VAL HB . 16868 1 1356 . 1 1 118 118 VAL HG11 H 1 0.97 0.03 . 2 . . . . 118 VAL MG1 . 16868 1 1357 . 1 1 118 118 VAL HG12 H 1 0.97 0.03 . 2 . . . . 118 VAL MG1 . 16868 1 1358 . 1 1 118 118 VAL HG13 H 1 0.97 0.03 . 2 . . . . 118 VAL MG1 . 16868 1 1359 . 1 1 118 118 VAL HG21 H 1 0.92 0.03 . 2 . . . . 118 VAL MG2 . 16868 1 1360 . 1 1 118 118 VAL HG22 H 1 0.92 0.03 . 2 . . . . 118 VAL MG2 . 16868 1 1361 . 1 1 118 118 VAL HG23 H 1 0.92 0.03 . 2 . . . . 118 VAL MG2 . 16868 1 1362 . 1 1 118 118 VAL C C 13 177.85 0.2 . 1 . . . . 118 VAL C . 16868 1 1363 . 1 1 118 118 VAL CA C 13 65.88 0.2 . 1 . . . . 118 VAL CA . 16868 1 1364 . 1 1 118 118 VAL CB C 13 31.64 0.2 . 1 . . . . 118 VAL CB . 16868 1 1365 . 1 1 118 118 VAL CG1 C 13 22.86 0.2 . 2 . . . . 118 VAL CG1 . 16868 1 1366 . 1 1 118 118 VAL CG2 C 13 21.46 0.2 . 2 . . . . 118 VAL CG2 . 16868 1 1367 . 1 1 118 118 VAL N N 15 121.59 0.1 . 1 . . . . 118 VAL N . 16868 1 1368 . 1 1 119 119 ARG H H 1 8.15 0.03 . 1 . . . . 119 ARG H . 16868 1 1369 . 1 1 119 119 ARG HA H 1 4.17 0.03 . 1 . . . . 119 ARG HA . 16868 1 1370 . 1 1 119 119 ARG HB2 H 1 1.89 0.03 . 2 . . . . 119 ARG HB2 . 16868 1 1371 . 1 1 119 119 ARG HB3 H 1 1.89 0.03 . 2 . . . . 119 ARG HB3 . 16868 1 1372 . 1 1 119 119 ARG HD2 H 1 3.18 0.03 . 2 . . . . 119 ARG HD2 . 16868 1 1373 . 1 1 119 119 ARG HD3 H 1 3.18 0.03 . 2 . . . . 119 ARG HD3 . 16868 1 1374 . 1 1 119 119 ARG HG2 H 1 1.78 0.03 . 2 . . . . 119 ARG HG2 . 16868 1 1375 . 1 1 119 119 ARG HG3 H 1 1.78 0.03 . 2 . . . . 119 ARG HG3 . 16868 1 1376 . 1 1 119 119 ARG C C 13 179.04 0.2 . 1 . . . . 119 ARG C . 16868 1 1377 . 1 1 119 119 ARG CA C 13 58.66 0.2 . 1 . . . . 119 ARG CA . 16868 1 1378 . 1 1 119 119 ARG CB C 13 30.12 0.2 . 1 . . . . 119 ARG CB . 16868 1 1379 . 1 1 119 119 ARG CD C 13 43.25 0.2 . 1 . . . . 119 ARG CD . 16868 1 1380 . 1 1 119 119 ARG CG C 13 27.45 0.2 . 1 . . . . 119 ARG CG . 16868 1 1381 . 1 1 119 119 ARG N N 15 120.48 0.1 . 1 . . . . 119 ARG N . 16868 1 1382 . 1 1 120 120 GLU H H 1 8.24 0.03 . 1 . . . . 120 GLU H . 16868 1 1383 . 1 1 120 120 GLU HA H 1 4.02 0.03 . 1 . . . . 120 GLU HA . 16868 1 1384 . 1 1 120 120 GLU HB3 H 1 2.09 0.03 . 2 . . . . 120 GLU HB3 . 16868 1 1385 . 1 1 120 120 GLU C C 13 178.45 0.2 . 1 . . . . 120 GLU C . 16868 1 1386 . 1 1 120 120 GLU CA C 13 58.62 0.2 . 1 . . . . 120 GLU CA . 16868 1 1387 . 1 1 120 120 GLU CB C 13 29.82 0.2 . 1 . . . . 120 GLU CB . 16868 1 1388 . 1 1 120 120 GLU N N 15 119.75 0.1 . 1 . . . . 120 GLU N . 16868 1 1389 . 1 1 121 121 ALA H H 1 7.94 0.03 . 1 . . . . 121 ALA H . 16868 1 1390 . 1 1 121 121 ALA HA H 1 4.24 0.03 . 1 . . . . 121 ALA HA . 16868 1 1391 . 1 1 121 121 ALA HB1 H 1 1.51 0.03 . 1 . . . . 121 ALA MB . 16868 1 1392 . 1 1 121 121 ALA HB2 H 1 1.51 0.03 . 1 . . . . 121 ALA MB . 16868 1 1393 . 1 1 121 121 ALA HB3 H 1 1.51 0.03 . 1 . . . . 121 ALA MB . 16868 1 1394 . 1 1 121 121 ALA C C 13 179.70 0.2 . 1 . . . . 121 ALA C . 16868 1 1395 . 1 1 121 121 ALA CA C 13 54.16 0.2 . 1 . . . . 121 ALA CA . 16868 1 1396 . 1 1 121 121 ALA CB C 13 18.25 0.2 . 1 . . . . 121 ALA CB . 16868 1 1397 . 1 1 121 121 ALA N N 15 122.94 0.1 . 1 . . . . 121 ALA N . 16868 1 1398 . 1 1 122 122 GLU H H 1 8.17 0.03 . 1 . . . . 122 GLU H . 16868 1 1399 . 1 1 122 122 GLU HA H 1 4.09 0.03 . 1 . . . . 122 GLU HA . 16868 1 1400 . 1 1 122 122 GLU HB3 H 1 2.09 0.03 . 2 . . . . 122 GLU HB3 . 16868 1 1401 . 1 1 122 122 GLU C C 13 178.50 0.2 . 1 . . . . 122 GLU C . 16868 1 1402 . 1 1 122 122 GLU CA C 13 58.27 0.2 . 1 . . . . 122 GLU CA . 16868 1 1403 . 1 1 122 122 GLU CB C 13 29.80 0.2 . 1 . . . . 122 GLU CB . 16868 1 1404 . 1 1 122 122 GLU N N 15 118.77 0.1 . 1 . . . . 122 GLU N . 16868 1 1405 . 1 1 123 123 ARG H H 1 7.98 0.03 . 1 . . . . 123 ARG H . 16868 1 1406 . 1 1 123 123 ARG HA H 1 4.17 0.03 . 1 . . . . 123 ARG HA . 16868 1 1407 . 1 1 123 123 ARG HB2 H 1 1.91 0.03 . 2 . . . . 123 ARG HB2 . 16868 1 1408 . 1 1 123 123 ARG HB3 H 1 1.91 0.03 . 2 . . . . 123 ARG HB3 . 16868 1 1409 . 1 1 123 123 ARG HD2 H 1 3.19 0.03 . 2 . . . . 123 ARG HD2 . 16868 1 1410 . 1 1 123 123 ARG HD3 H 1 3.19 0.03 . 2 . . . . 123 ARG HD3 . 16868 1 1411 . 1 1 123 123 ARG HG2 H 1 1.69 0.03 . 2 . . . . 123 ARG HG2 . 16868 1 1412 . 1 1 123 123 ARG HG3 H 1 1.77 0.03 . 2 . . . . 123 ARG HG3 . 16868 1 1413 . 1 1 123 123 ARG C C 13 175.46 0.2 . 1 . . . . 123 ARG C . 16868 1 1414 . 1 1 123 123 ARG CA C 13 57.72 0.2 . 1 . . . . 123 ARG CA . 16868 1 1415 . 1 1 123 123 ARG CB C 13 30.19 0.2 . 1 . . . . 123 ARG CB . 16868 1 1416 . 1 1 123 123 ARG CD C 13 43.40 0.2 . 1 . . . . 123 ARG CD . 16868 1 1417 . 1 1 123 123 ARG CG C 13 27.03 0.2 . 1 . . . . 123 ARG CG . 16868 1 1418 . 1 1 123 123 ARG N N 15 119.60 0.1 . 1 . . . . 123 ARG N . 16868 1 1419 . 1 1 124 124 ALA H H 1 7.89 0.03 . 1 . . . . 124 ALA H . 16868 1 1420 . 1 1 124 124 ALA HA H 1 4.26 0.03 . 1 . . . . 124 ALA HA . 16868 1 1421 . 1 1 124 124 ALA HB1 H 1 1.46 0.03 . 1 . . . . 124 ALA MB . 16868 1 1422 . 1 1 124 124 ALA HB2 H 1 1.46 0.03 . 1 . . . . 124 ALA MB . 16868 1 1423 . 1 1 124 124 ALA HB3 H 1 1.46 0.03 . 1 . . . . 124 ALA MB . 16868 1 1424 . 1 1 124 124 ALA C C 13 178.24 0.2 . 1 . . . . 124 ALA C . 16868 1 1425 . 1 1 124 124 ALA CA C 13 53.19 0.2 . 1 . . . . 124 ALA CA . 16868 1 1426 . 1 1 124 124 ALA CB C 13 18.70 0.2 . 1 . . . . 124 ALA CB . 16868 1 1427 . 1 1 124 124 ALA N N 15 121.97 0.1 . 1 . . . . 124 ALA N . 16868 1 1428 . 1 1 125 125 MET H H 1 7.81 0.03 . 1 . . . . 125 MET H . 16868 1 1429 . 1 1 125 125 MET HA H 1 4.41 0.03 . 1 . . . . 125 MET HA . 16868 1 1430 . 1 1 125 125 MET HB2 H 1 2.11 0.03 . 2 . . . . 125 MET HB2 . 16868 1 1431 . 1 1 125 125 MET HB3 H 1 2.11 0.03 . 2 . . . . 125 MET HB3 . 16868 1 1432 . 1 1 125 125 MET HG2 H 1 2.59 0.03 . 2 . . . . 125 MET HG2 . 16868 1 1433 . 1 1 125 125 MET HG3 H 1 2.69 0.03 . 2 . . . . 125 MET HG3 . 16868 1 1434 . 1 1 125 125 MET C C 13 176.29 0.2 . 1 . . . . 125 MET C . 16868 1 1435 . 1 1 125 125 MET CA C 13 55.78 0.2 . 1 . . . . 125 MET CA . 16868 1 1436 . 1 1 125 125 MET CB C 13 32.74 0.2 . 1 . . . . 125 MET CB . 16868 1 1437 . 1 1 125 125 MET CG C 13 31.87 0.2 . 1 . . . . 125 MET CG . 16868 1 1438 . 1 1 125 125 MET N N 15 117.15 0.1 . 1 . . . . 125 MET N . 16868 1 1439 . 1 1 126 126 LEU H H 1 7.90 0.03 . 1 . . . . 126 LEU H . 16868 1 1440 . 1 1 126 126 LEU HA H 1 4.34 0.03 . 1 . . . . 126 LEU HA . 16868 1 1441 . 1 1 126 126 LEU HB2 H 1 1.59 0.03 . 2 . . . . 126 LEU HB2 . 16868 1 1442 . 1 1 126 126 LEU HB3 H 1 1.71 0.03 . 2 . . . . 126 LEU HB3 . 16868 1 1443 . 1 1 126 126 LEU HD11 H 1 0.91 0.03 . 2 . . . . 126 LEU MD1 . 16868 1 1444 . 1 1 126 126 LEU HD12 H 1 0.91 0.03 . 2 . . . . 126 LEU MD1 . 16868 1 1445 . 1 1 126 126 LEU HD13 H 1 0.91 0.03 . 2 . . . . 126 LEU MD1 . 16868 1 1446 . 1 1 126 126 LEU HD21 H 1 0.84 0.03 . 2 . . . . 126 LEU MD2 . 16868 1 1447 . 1 1 126 126 LEU HD22 H 1 0.84 0.03 . 2 . . . . 126 LEU MD2 . 16868 1 1448 . 1 1 126 126 LEU HD23 H 1 0.84 0.03 . 2 . . . . 126 LEU MD2 . 16868 1 1449 . 1 1 126 126 LEU HG H 1 1.65 0.03 . 1 . . . . 126 LEU HG . 16868 1 1450 . 1 1 126 126 LEU C C 13 175.79 0.2 . 1 . . . . 126 LEU C . 16868 1 1451 . 1 1 126 126 LEU CA C 13 55.29 0.2 . 1 . . . . 126 LEU CA . 16868 1 1452 . 1 1 126 126 LEU CB C 13 42.22 0.2 . 1 . . . . 126 LEU CB . 16868 1 1453 . 1 1 126 126 LEU CD1 C 13 24.86 0.2 . 2 . . . . 126 LEU CD1 . 16868 1 1454 . 1 1 126 126 LEU CD2 C 13 23.27 0.2 . 2 . . . . 126 LEU CD2 . 16868 1 1455 . 1 1 126 126 LEU CG C 13 26.84 0.2 . 1 . . . . 126 LEU CG . 16868 1 1456 . 1 1 126 126 LEU N N 15 121.97 0.1 . 1 . . . . 126 LEU N . 16868 1 1457 . 1 1 127 127 VAL H H 1 7.69 0.03 . 1 . . . . 127 VAL H . 16868 1 1458 . 1 1 127 127 VAL HA H 1 4.32 0.03 . 1 . . . . 127 VAL HA . 16868 1 1459 . 1 1 127 127 VAL HB H 1 2.02 0.03 . 1 . . . . 127 VAL HB . 16868 1 1460 . 1 1 127 127 VAL HG11 H 1 0.89 0.03 . 2 . . . . 127 VAL MG1 . 16868 1 1461 . 1 1 127 127 VAL HG12 H 1 0.89 0.03 . 2 . . . . 127 VAL MG1 . 16868 1 1462 . 1 1 127 127 VAL HG13 H 1 0.89 0.03 . 2 . . . . 127 VAL MG1 . 16868 1 1463 . 1 1 127 127 VAL HG21 H 1 0.89 0.03 . 2 . . . . 127 VAL MG2 . 16868 1 1464 . 1 1 127 127 VAL HG22 H 1 0.89 0.03 . 2 . . . . 127 VAL MG2 . 16868 1 1465 . 1 1 127 127 VAL HG23 H 1 0.89 0.03 . 2 . . . . 127 VAL MG2 . 16868 1 1466 . 1 1 127 127 VAL CA C 13 59.05 0.2 . 1 . . . . 127 VAL CA . 16868 1 1467 . 1 1 127 127 VAL CB C 13 34.39 0.2 . 1 . . . . 127 VAL CB . 16868 1 1468 . 1 1 127 127 VAL CG1 C 13 20.97 0.2 . 2 . . . . 127 VAL CG1 . 16868 1 1469 . 1 1 127 127 VAL CG2 C 13 19.83 0.2 . 2 . . . . 127 VAL CG2 . 16868 1 1470 . 1 1 127 127 VAL N N 15 118.28 0.1 . 1 . . . . 127 VAL N . 16868 1 1471 . 1 1 128 128 PRO HA H 1 4.40 0.03 . 1 . . . . 128 PRO HA . 16868 1 1472 . 1 1 128 128 PRO HB2 H 1 1.94 0.03 . 2 . . . . 128 PRO HB2 . 16868 1 1473 . 1 1 128 128 PRO HB3 H 1 2.27 0.03 . 2 . . . . 128 PRO HB3 . 16868 1 1474 . 1 1 128 128 PRO HD2 H 1 3.69 0.03 . 2 . . . . 128 PRO HD2 . 16868 1 1475 . 1 1 128 128 PRO HD3 H 1 3.86 0.03 . 2 . . . . 128 PRO HD3 . 16868 1 1476 . 1 1 128 128 PRO HG2 H 1 1.96 0.03 . 2 . . . . 128 PRO HG2 . 16868 1 1477 . 1 1 128 128 PRO HG3 H 1 2.05 0.03 . 2 . . . . 128 PRO HG3 . 16868 1 1478 . 1 1 128 128 PRO C C 13 176.05 0.2 . 1 . . . . 128 PRO C . 16868 1 1479 . 1 1 128 128 PRO CA C 13 63.38 0.2 . 1 . . . . 128 PRO CA . 16868 1 1480 . 1 1 128 128 PRO CB C 13 31.87 0.2 . 1 . . . . 128 PRO CB . 16868 1 1481 . 1 1 128 128 PRO CD C 13 51.07 0.2 . 1 . . . . 128 PRO CD . 16868 1 1482 . 1 1 128 128 PRO CG C 13 27.24 0.2 . 1 . . . . 128 PRO CG . 16868 1 1483 . 1 1 129 129 ARG H H 1 7.99 0.03 . 1 . . . . 129 ARG H . 16868 1 1484 . 1 1 129 129 ARG HA H 1 4.16 0.03 . 1 . . . . 129 ARG HA . 16868 1 1485 . 1 1 129 129 ARG HB2 H 1 1.70 0.03 . 2 . . . . 129 ARG HB2 . 16868 1 1486 . 1 1 129 129 ARG HB3 H 1 1.84 0.03 . 2 . . . . 129 ARG HB3 . 16868 1 1487 . 1 1 129 129 ARG HD2 H 1 3.19 0.03 . 2 . . . . 129 ARG HD2 . 16868 1 1488 . 1 1 129 129 ARG HD3 H 1 3.19 0.03 . 2 . . . . 129 ARG HD3 . 16868 1 1489 . 1 1 129 129 ARG HG2 H 1 1.63 0.03 . 2 . . . . 129 ARG HG2 . 16868 1 1490 . 1 1 129 129 ARG HG3 H 1 1.63 0.03 . 2 . . . . 129 ARG HG3 . 16868 1 1491 . 1 1 129 129 ARG CA C 13 57.43 0.2 . 1 . . . . 129 ARG CA . 16868 1 1492 . 1 1 129 129 ARG CB C 13 31.87 0.2 . 1 . . . . 129 ARG CB . 16868 1 1493 . 1 1 129 129 ARG CD C 13 43.48 0.2 . 1 . . . . 129 ARG CD . 16868 1 1494 . 1 1 129 129 ARG CG C 13 27.24 0.2 . 1 . . . . 129 ARG CG . 16868 1 1495 . 1 1 129 129 ARG N N 15 126.81 0.1 . 1 . . . . 129 ARG N . 16868 1 stop_ save_