data_17526 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 17526 _Entry.Title ; EcNusB bound to BoxA RNA ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2011-03-15 _Entry.Accession_date 2011-03-15 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Jason Stagno . R. . 17526 2 Amanda Altieri . S. . 17526 3 Mikhail Bubunenko . . . 17526 4 Sergey Tarasov . G. . 17526 5 Jess Li . . . 17526 6 Donald Court . L. . 17526 7 Andrew Byrd . R. . 17526 8 Xinhua Ji . . . 17526 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 17526 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 427 17526 '15N chemical shifts' 135 17526 '1H chemical shifts' 722 17526 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2012-03-08 2011-03-15 update BMRB 'update entry citation' 17526 1 . . 2011-06-30 2011-03-15 original author 'original release' 17526 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 15312 'NusB from Aquifex Aeolicus' 17526 BMRB 4737 'Transcriptional Antiterminator NusB' 17526 PDB 1EY1 . 17526 PDB 2JR0 . 17526 PDB 3r2c . 17526 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 17526 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 21652641 _Citation.Full_citation . _Citation.Title 'Structural basis for RNA recognition by NusB and NusE in the initiation of transcription antitermination.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Nucleic Acids Res.' _Citation.Journal_name_full 'Nucleic acids research' _Citation.Journal_volume 39 _Citation.Journal_issue 17 _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 7803 _Citation.Page_last 7815 _Citation.Year 2011 _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 Jason Stagno . R. . 17526 1 2 Amanda Altieri . S. . 17526 1 3 Mikhail Bubunenko . . . 17526 1 4 Sergey Tarasov . G. . 17526 1 5 Jess Li . . . 17526 1 6 Donald Court . L. . 17526 1 7 'R. Andrew' Byrd . . . 17526 1 8 Xinhua Ji . . . 17526 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'NusB-NusE-RNA interaction' 17526 1 protein-RNA 17526 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 17526 _Assembly.ID 1 _Assembly.Name 'NusB/BoxA RNA' _Assembly.BMRB_code . _Assembly.Number_of_components 2 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass 19405 _Assembly.Enzyme_commission_number . _Assembly.Details 'NusB protein from E coli bound to BoxA RNA' _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 NusB 1 $NusB A . yes native no no . . . 17526 1 2 'BoxA RNA' 2 $BoxA B . no native no no . . 'UGC UCU UUA ACA' 17526 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'Transcriptional Antitermination' 17526 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_NusB _Entity.Sf_category entity _Entity.Sf_framecode NusB _Entity.Entry_ID 17526 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name NusB _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MKPAARRRAREAAVQALYSW QLSQNDIADVEYQFLAEQDV KDVDVLYFRELLAGVATNTA YLDGLMKPYLSRLLEELGQV EKAVLRIALYELSKRSDVPY KVAINEAIELAKSFGAEDSH KFVNGVLDKAAPVIRPNKK ; _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 139 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 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 BMRB 4737 . NusB . . . . . 100.00 139 99.28 99.28 3.69e-93 . . . . 17526 1 2 no PDB 1EY1 . "Solution Structure Of Escherichia Coli Nusb" . . . . . 100.00 139 99.28 99.28 3.69e-93 . . . . 17526 1 3 no PDB 3D3B . "Structural And Functional Analysis Of The E. Coli Nusb-s10 Transcription Antitermination Complex." . . . . . 100.00 141 98.56 99.28 2.72e-92 . . . . 17526 1 4 no PDB 3D3C . "Structural And Functional Analysis Of The E. Coli Nusb-S10 Transcription Antitermination Complex" . . . . . 100.00 141 98.56 99.28 2.72e-92 . . . . 17526 1 5 no PDB 3IMQ . "Crystal Structure Of The Nusb101-S10(Delta Loop) Complex" . . . . . 100.00 141 97.84 99.28 9.66e-92 . . . . 17526 1 6 no DBJ BAB33892 . "transcription termination factor NusB [Escherichia coli O157:H7 str. Sakai]" . . . . . 100.00 139 99.28 99.28 3.69e-93 . . . . 17526 1 7 no DBJ BAE76196 . "transcription antitermination protein [Escherichia coli str. K12 substr. W3110]" . . . . . 100.00 139 99.28 99.28 3.69e-93 . . . . 17526 1 8 no DBJ BAG75962 . "N utilization substance protein B [Escherichia coli SE11]" . . . . . 100.00 139 99.28 99.28 3.69e-93 . . . . 17526 1 9 no DBJ BAI23787 . "transcription antitermination protein NusB [Escherichia coli O26:H11 str. 11368]" . . . . . 100.00 139 99.28 99.28 3.69e-93 . . . . 17526 1 10 no DBJ BAI29258 . "transcription antitermination protein NusB [Escherichia coli O103:H2 str. 12009]" . . . . . 100.00 139 99.28 99.28 3.69e-93 . . . . 17526 1 11 no EMBL CAA25289 . "unnamed protein product [Escherichia coli]" . . . . . 100.00 139 99.28 99.28 3.69e-93 . . . . 17526 1 12 no EMBL CAA45737 . "nusB (ssyB) [Escherichia coli K-12]" . . . . . 100.00 139 99.28 99.28 3.69e-93 . . . . 17526 1 13 no EMBL CAC44764 . "N utilisation substance protein B [Expression vector pNCO113-nusB/nusE]" . . . . . 100.00 139 99.28 99.28 3.69e-93 . . . . 17526 1 14 no EMBL CAP74950 . "N utilization substance protein B [Escherichia coli LF82]" . . . . . 100.00 139 99.28 99.28 3.69e-93 . . . . 17526 1 15 no EMBL CAQ30885 . "transcription antitermination protein NusB, subunit of NusB-NusE complex [Escherichia coli BL21(DE3)]" . . . . . 100.00 139 99.28 99.28 3.69e-93 . . . . 17526 1 16 no GB AAA24228 . "nusB [Escherichia coli]" . . . . . 100.00 139 99.28 99.28 3.69e-93 . . . . 17526 1 17 no GB AAB40172 . "N utilization substance protein B [Escherichia coli]" . . . . . 100.00 139 99.28 99.28 3.69e-93 . . . . 17526 1 18 no GB AAB95441 . "NUSB [Shigella flexneri]" . . . . . 72.66 101 98.02 98.02 2.01e-62 . . . . 17526 1 19 no GB AAC73519 . "transcription antitermination protein [Escherichia coli str. K-12 substr. MG1655]" . . . . . 100.00 139 99.28 99.28 3.69e-93 . . . . 17526 1 20 no GB AAG54765 . "transcription termination; L factor [Escherichia coli O157:H7 str. EDL933]" . . . . . 100.00 139 99.28 99.28 3.69e-93 . . . . 17526 1 21 no PRF 2111328A . "NusB protein" . . . . . 100.00 139 99.28 99.28 3.69e-93 . . . . 17526 1 22 no REF NP_308496 . "transcription antitermination protein NusB [Escherichia coli O157:H7 str. Sakai]" . . . . . 100.00 139 99.28 99.28 3.69e-93 . . . . 17526 1 23 no REF NP_414950 . "transcription antitermination protein [Escherichia coli str. K-12 substr. MG1655]" . . . . . 100.00 139 99.28 99.28 3.69e-93 . . . . 17526 1 24 no REF NP_706304 . "transcription antitermination protein NusB [Shigella flexneri 2a str. 301]" . . . . . 100.00 139 99.28 99.28 3.69e-93 . . . . 17526 1 25 no REF WP_000801121 . "MULTISPECIES: N utilization substance protein B [Escherichia]" . . . . . 100.00 139 98.56 99.28 6.79e-93 . . . . 17526 1 26 no REF WP_000801122 . "N utilization substance protein B [Escherichia coli]" . . . . . 100.00 139 98.56 98.56 6.38e-92 . . . . 17526 1 27 no SP A7ZIG9 . "RecName: Full=N utilization substance protein B homolog; Short=Protein NusB" . . . . . 100.00 139 99.28 99.28 3.69e-93 . . . . 17526 1 28 no SP A7ZX68 . "RecName: Full=N utilization substance protein B homolog; Short=Protein NusB" . . . . . 100.00 139 99.28 99.28 3.69e-93 . . . . 17526 1 29 no SP B1J033 . "RecName: Full=N utilization substance protein B homolog; Short=Protein NusB" . . . . . 100.00 139 99.28 99.28 3.69e-93 . . . . 17526 1 30 no SP B1LJG6 . "RecName: Full=N utilization substance protein B homolog; Short=Protein NusB" . . . . . 100.00 139 99.28 99.28 3.69e-93 . . . . 17526 1 31 no SP B1XF04 . "RecName: Full=N utilization substance protein B homolog; Short=Protein NusB" . . . . . 100.00 139 99.28 99.28 3.69e-93 . . . . 17526 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 . 17526 1 2 . LYS . 17526 1 3 . PRO . 17526 1 4 . ALA . 17526 1 5 . ALA . 17526 1 6 . ARG . 17526 1 7 . ARG . 17526 1 8 . ARG . 17526 1 9 . ALA . 17526 1 10 . ARG . 17526 1 11 . GLU . 17526 1 12 . ALA . 17526 1 13 . ALA . 17526 1 14 . VAL . 17526 1 15 . GLN . 17526 1 16 . ALA . 17526 1 17 . LEU . 17526 1 18 . TYR . 17526 1 19 . SER . 17526 1 20 . TRP . 17526 1 21 . GLN . 17526 1 22 . LEU . 17526 1 23 . SER . 17526 1 24 . GLN . 17526 1 25 . ASN . 17526 1 26 . ASP . 17526 1 27 . ILE . 17526 1 28 . ALA . 17526 1 29 . ASP . 17526 1 30 . VAL . 17526 1 31 . GLU . 17526 1 32 . TYR . 17526 1 33 . GLN . 17526 1 34 . PHE . 17526 1 35 . LEU . 17526 1 36 . ALA . 17526 1 37 . GLU . 17526 1 38 . GLN . 17526 1 39 . ASP . 17526 1 40 . VAL . 17526 1 41 . LYS . 17526 1 42 . ASP . 17526 1 43 . VAL . 17526 1 44 . ASP . 17526 1 45 . VAL . 17526 1 46 . LEU . 17526 1 47 . TYR . 17526 1 48 . PHE . 17526 1 49 . ARG . 17526 1 50 . GLU . 17526 1 51 . LEU . 17526 1 52 . LEU . 17526 1 53 . ALA . 17526 1 54 . GLY . 17526 1 55 . VAL . 17526 1 56 . ALA . 17526 1 57 . THR . 17526 1 58 . ASN . 17526 1 59 . THR . 17526 1 60 . ALA . 17526 1 61 . TYR . 17526 1 62 . LEU . 17526 1 63 . ASP . 17526 1 64 . GLY . 17526 1 65 . LEU . 17526 1 66 . MET . 17526 1 67 . LYS . 17526 1 68 . PRO . 17526 1 69 . TYR . 17526 1 70 . LEU . 17526 1 71 . SER . 17526 1 72 . ARG . 17526 1 73 . LEU . 17526 1 74 . LEU . 17526 1 75 . GLU . 17526 1 76 . GLU . 17526 1 77 . LEU . 17526 1 78 . GLY . 17526 1 79 . GLN . 17526 1 80 . VAL . 17526 1 81 . GLU . 17526 1 82 . LYS . 17526 1 83 . ALA . 17526 1 84 . VAL . 17526 1 85 . LEU . 17526 1 86 . ARG . 17526 1 87 . ILE . 17526 1 88 . ALA . 17526 1 89 . LEU . 17526 1 90 . TYR . 17526 1 91 . GLU . 17526 1 92 . LEU . 17526 1 93 . SER . 17526 1 94 . LYS . 17526 1 95 . ARG . 17526 1 96 . SER . 17526 1 97 . ASP . 17526 1 98 . VAL . 17526 1 99 . PRO . 17526 1 100 . TYR . 17526 1 101 . LYS . 17526 1 102 . VAL . 17526 1 103 . ALA . 17526 1 104 . ILE . 17526 1 105 . ASN . 17526 1 106 . GLU . 17526 1 107 . ALA . 17526 1 108 . ILE . 17526 1 109 . GLU . 17526 1 110 . LEU . 17526 1 111 . ALA . 17526 1 112 . LYS . 17526 1 113 . SER . 17526 1 114 . PHE . 17526 1 115 . GLY . 17526 1 116 . ALA . 17526 1 117 . GLU . 17526 1 118 . ASP . 17526 1 119 . SER . 17526 1 120 . HIS . 17526 1 121 . LYS . 17526 1 122 . PHE . 17526 1 123 . VAL . 17526 1 124 . ASN . 17526 1 125 . GLY . 17526 1 126 . VAL . 17526 1 127 . LEU . 17526 1 128 . ASP . 17526 1 129 . LYS . 17526 1 130 . ALA . 17526 1 131 . ALA . 17526 1 132 . PRO . 17526 1 133 . VAL . 17526 1 134 . ILE . 17526 1 135 . ARG . 17526 1 136 . PRO . 17526 1 137 . ASN . 17526 1 138 . LYS . 17526 1 139 . LYS . 17526 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 17526 1 . LYS 2 2 17526 1 . PRO 3 3 17526 1 . ALA 4 4 17526 1 . ALA 5 5 17526 1 . ARG 6 6 17526 1 . ARG 7 7 17526 1 . ARG 8 8 17526 1 . ALA 9 9 17526 1 . ARG 10 10 17526 1 . GLU 11 11 17526 1 . ALA 12 12 17526 1 . ALA 13 13 17526 1 . VAL 14 14 17526 1 . GLN 15 15 17526 1 . ALA 16 16 17526 1 . LEU 17 17 17526 1 . TYR 18 18 17526 1 . SER 19 19 17526 1 . TRP 20 20 17526 1 . GLN 21 21 17526 1 . LEU 22 22 17526 1 . SER 23 23 17526 1 . GLN 24 24 17526 1 . ASN 25 25 17526 1 . ASP 26 26 17526 1 . ILE 27 27 17526 1 . ALA 28 28 17526 1 . ASP 29 29 17526 1 . VAL 30 30 17526 1 . GLU 31 31 17526 1 . TYR 32 32 17526 1 . GLN 33 33 17526 1 . PHE 34 34 17526 1 . LEU 35 35 17526 1 . ALA 36 36 17526 1 . GLU 37 37 17526 1 . GLN 38 38 17526 1 . ASP 39 39 17526 1 . VAL 40 40 17526 1 . LYS 41 41 17526 1 . ASP 42 42 17526 1 . VAL 43 43 17526 1 . ASP 44 44 17526 1 . VAL 45 45 17526 1 . LEU 46 46 17526 1 . TYR 47 47 17526 1 . PHE 48 48 17526 1 . ARG 49 49 17526 1 . GLU 50 50 17526 1 . LEU 51 51 17526 1 . LEU 52 52 17526 1 . ALA 53 53 17526 1 . GLY 54 54 17526 1 . VAL 55 55 17526 1 . ALA 56 56 17526 1 . THR 57 57 17526 1 . ASN 58 58 17526 1 . THR 59 59 17526 1 . ALA 60 60 17526 1 . TYR 61 61 17526 1 . LEU 62 62 17526 1 . ASP 63 63 17526 1 . GLY 64 64 17526 1 . LEU 65 65 17526 1 . MET 66 66 17526 1 . LYS 67 67 17526 1 . PRO 68 68 17526 1 . TYR 69 69 17526 1 . LEU 70 70 17526 1 . SER 71 71 17526 1 . ARG 72 72 17526 1 . LEU 73 73 17526 1 . LEU 74 74 17526 1 . GLU 75 75 17526 1 . GLU 76 76 17526 1 . LEU 77 77 17526 1 . GLY 78 78 17526 1 . GLN 79 79 17526 1 . VAL 80 80 17526 1 . GLU 81 81 17526 1 . LYS 82 82 17526 1 . ALA 83 83 17526 1 . VAL 84 84 17526 1 . LEU 85 85 17526 1 . ARG 86 86 17526 1 . ILE 87 87 17526 1 . ALA 88 88 17526 1 . LEU 89 89 17526 1 . TYR 90 90 17526 1 . GLU 91 91 17526 1 . LEU 92 92 17526 1 . SER 93 93 17526 1 . LYS 94 94 17526 1 . ARG 95 95 17526 1 . SER 96 96 17526 1 . ASP 97 97 17526 1 . VAL 98 98 17526 1 . PRO 99 99 17526 1 . TYR 100 100 17526 1 . LYS 101 101 17526 1 . VAL 102 102 17526 1 . ALA 103 103 17526 1 . ILE 104 104 17526 1 . ASN 105 105 17526 1 . GLU 106 106 17526 1 . ALA 107 107 17526 1 . ILE 108 108 17526 1 . GLU 109 109 17526 1 . LEU 110 110 17526 1 . ALA 111 111 17526 1 . LYS 112 112 17526 1 . SER 113 113 17526 1 . PHE 114 114 17526 1 . GLY 115 115 17526 1 . ALA 116 116 17526 1 . GLU 117 117 17526 1 . ASP 118 118 17526 1 . SER 119 119 17526 1 . HIS 120 120 17526 1 . LYS 121 121 17526 1 . PHE 122 122 17526 1 . VAL 123 123 17526 1 . ASN 124 124 17526 1 . GLY 125 125 17526 1 . VAL 126 126 17526 1 . LEU 127 127 17526 1 . ASP 128 128 17526 1 . LYS 129 129 17526 1 . ALA 130 130 17526 1 . ALA 131 131 17526 1 . PRO 132 132 17526 1 . VAL 133 133 17526 1 . ILE 134 134 17526 1 . ARG 135 135 17526 1 . PRO 136 136 17526 1 . ASN 137 137 17526 1 . LYS 138 138 17526 1 . LYS 139 139 17526 1 stop_ save_ save_BoxA _Entity.Sf_category entity _Entity.Sf_framecode BoxA _Entity.Entry_ID 17526 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name BoxA _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polyribonucleotide _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code UGCUCUUUAACA _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 . _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . U . 17526 2 2 . G . 17526 2 3 . C . 17526 2 4 . U . 17526 2 5 . C . 17526 2 6 . U . 17526 2 7 . U . 17526 2 8 . U . 17526 2 9 . A . 17526 2 10 . A . 17526 2 11 . C . 17526 2 12 . A . 17526 2 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . U 1 1 17526 2 . G 2 2 17526 2 . C 3 3 17526 2 . U 4 4 17526 2 . C 5 5 17526 2 . U 6 6 17526 2 . U 7 7 17526 2 . U 8 8 17526 2 . A 9 9 17526 2 . A 10 10 17526 2 . C 11 11 17526 2 . A 12 12 17526 2 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 17526 _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 $NusB . 562 organism . 'Escherichia coli' 'E. coli' . . Bacteria . Escherichia coli . . . . . . . . . . . . . . . . . . . . . 17526 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 17526 _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 $NusB . 'chemical synthesis' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 17526 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 17526 _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 'E coli NusB' '[U-100% 13C; U-100% 15N]' . . 1 $NusB . . 250 . . uM . . . . 17526 1 2 'boxA RNA' '[U-100% 13C; U-100% 15N]' . . 2 $BoxA . . 250 . . uM . . . . 17526 1 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 17526 _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' 0.02 . M 17526 1 pH 6.5 . pH 17526 1 pressure 1 . atm 17526 1 temperature 273 . K 17526 1 stop_ save_ ############################ # Computer software used # ############################ save_CCPNMR _Software.Sf_category software _Software.Sf_framecode CCPNMR _Software.Entry_ID 17526 _Software.ID 1 _Software.Name CcpNMR _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID CCPN . . 17526 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 17526 1 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 17526 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 17526 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _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 17526 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Varian INOVA . 600 . . . 17526 1 2 spectrometer_2 Varian INOVA . 800 . . . 17526 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 17526 _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 '3D CBCA(CO)NH' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17526 1 2 '3D HNCACB' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17526 1 3 '3D C(CO)NH' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17526 1 4 '3D H(CCO)NH' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17526 1 stop_ save_ save_NMR_spectrometer_expt _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt _NMR_spec_expt.Entry_ID 17526 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name . _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID 1 _NMR_spec_expt.Software_label $CCPNMR _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 17526 _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 water protons . . . . ppm 4.773 na indirect 0.251449530 . . . . . . . . . 17526 1 H 1 water protons . . . . ppm 4.773 na direct 1 . . . . . . . . . 17526 1 N 15 water protons . . . . ppm 4.773 na indirect 0.101329118 . . . . . . . . . 17526 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 17526 _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 '3D CBCA(CO)NH' . . . 17526 1 2 '3D HNCACB' . . . 17526 1 3 '3D C(CO)NH' . . . 17526 1 4 '3D H(CCO)NH' . . . 17526 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 3 3 PRO CA C 13 62.848 0.000 . 1 . . . . 3 PRO CA . 17526 1 2 . 1 1 3 3 PRO CB C 13 31.899 0.000 . 1 . . . . 3 PRO CB . 17526 1 3 . 1 1 3 3 PRO CD C 13 52.083 0.000 . 1 . . . . 3 PRO CD . 17526 1 4 . 1 1 4 4 ALA H H 1 8.522 0.010 . 1 . . . . 4 ALA H . 17526 1 5 . 1 1 4 4 ALA CA C 13 54.813 0.000 . 1 . . . . 4 ALA CA . 17526 1 6 . 1 1 4 4 ALA N N 15 118.773 0.126 . 1 . . . . 4 ALA N . 17526 1 7 . 1 1 5 5 ALA HA H 1 4.523 0.000 . 1 . . . . 5 ALA HA . 17526 1 8 . 1 1 5 5 ALA HB1 H 1 1.438 0.000 . 1 . . . . 5 ALA HB1 . 17526 1 9 . 1 1 5 5 ALA HB2 H 1 1.438 0.000 . 1 . . . . 5 ALA HB2 . 17526 1 10 . 1 1 5 5 ALA HB3 H 1 1.438 0.000 . 1 . . . . 5 ALA HB3 . 17526 1 11 . 1 1 5 5 ALA CA C 13 54.018 0.000 . 1 . . . . 5 ALA CA . 17526 1 12 . 1 1 5 5 ALA CB C 13 18.422 0.000 . 1 . . . . 5 ALA CB . 17526 1 13 . 1 1 6 6 ARG H H 1 8.077 0.010 . 1 . . . . 6 ARG H . 17526 1 14 . 1 1 6 6 ARG CA C 13 58.701 0.000 . 1 . . . . 6 ARG CA . 17526 1 15 . 1 1 6 6 ARG CB C 13 29.675 0.000 . 1 . . . . 6 ARG CB . 17526 1 16 . 1 1 6 6 ARG N N 15 122.324 0.041 . 1 . . . . 6 ARG N . 17526 1 17 . 1 1 7 7 ARG HA H 1 4.315 0.000 . 1 . . . . 7 ARG HA . 17526 1 18 . 1 1 7 7 ARG CA C 13 58.555 0.000 . 1 . . . . 7 ARG CA . 17526 1 19 . 1 1 7 7 ARG CB C 13 26.712 0.000 . 1 . . . . 7 ARG CB . 17526 1 20 . 1 1 7 7 ARG CD C 13 40.068 0.000 . 1 . . . . 7 ARG CD . 17526 1 21 . 1 1 8 8 ARG H H 1 8.031 0.014 . 1 . . . . 8 ARG H . 17526 1 22 . 1 1 8 8 ARG HA H 1 4.233 0.000 . 1 . . . . 8 ARG HA . 17526 1 23 . 1 1 8 8 ARG HB2 H 1 1.802 0.000 . 1 . . . . 8 ARG HB2 . 17526 1 24 . 1 1 8 8 ARG HB3 H 1 1.802 0.000 . 1 . . . . 8 ARG HB3 . 17526 1 25 . 1 1 8 8 ARG HD2 H 1 3.243 0.000 . 1 . . . . 8 ARG HD2 . 17526 1 26 . 1 1 8 8 ARG HD3 H 1 3.243 0.000 . 1 . . . . 8 ARG HD3 . 17526 1 27 . 1 1 8 8 ARG CA C 13 58.345 0.064 . 1 . . . . 8 ARG CA . 17526 1 28 . 1 1 8 8 ARG CB C 13 29.903 0.053 . 1 . . . . 8 ARG CB . 17526 1 29 . 1 1 8 8 ARG CD C 13 41.662 0.000 . 1 . . . . 8 ARG CD . 17526 1 30 . 1 1 8 8 ARG N N 15 116.605 0.029 . 1 . . . . 8 ARG N . 17526 1 31 . 1 1 9 9 ALA H H 1 8.000 0.007 . 1 . . . . 9 ALA H . 17526 1 32 . 1 1 9 9 ALA HA H 1 4.078 0.000 . 1 . . . . 9 ALA HA . 17526 1 33 . 1 1 9 9 ALA HB1 H 1 1.969 0.000 . 1 . . . . 9 ALA HB1 . 17526 1 34 . 1 1 9 9 ALA HB2 H 1 1.969 0.000 . 1 . . . . 9 ALA HB2 . 17526 1 35 . 1 1 9 9 ALA HB3 H 1 1.969 0.000 . 1 . . . . 9 ALA HB3 . 17526 1 36 . 1 1 9 9 ALA CA C 13 55.558 0.065 . 1 . . . . 9 ALA CA . 17526 1 37 . 1 1 9 9 ALA CB C 13 22.339 4.907 . 1 . . . . 9 ALA CB . 17526 1 38 . 1 1 9 9 ALA N N 15 122.296 0.038 . 1 . . . . 9 ALA N . 17526 1 39 . 1 1 10 10 ARG H H 1 8.536 0.009 . 1 . . . . 10 ARG H . 17526 1 40 . 1 1 10 10 ARG CA C 13 60.705 0.043 . 1 . . . . 10 ARG CA . 17526 1 41 . 1 1 10 10 ARG N N 15 118.164 0.058 . 1 . . . . 10 ARG N . 17526 1 42 . 1 1 11 11 GLU H H 1 8.773 0.010 . 1 . . . . 11 GLU H . 17526 1 43 . 1 1 11 11 GLU HA H 1 3.769 0.000 . 1 . . . . 11 GLU HA . 17526 1 44 . 1 1 11 11 GLU HB2 H 1 2.059 0.000 . 1 . . . . 11 GLU HB2 . 17526 1 45 . 1 1 11 11 GLU HG2 H 1 2.284 0.000 . 2 . . . . 11 GLU HG2 . 17526 1 46 . 1 1 11 11 GLU HG3 H 1 2.672 0.000 . 2 . . . . 11 GLU HG3 . 17526 1 47 . 1 1 11 11 GLU CA C 13 59.694 0.028 . 1 . . . . 11 GLU CA . 17526 1 48 . 1 1 11 11 GLU CB C 13 30.121 0.000 . 1 . . . . 11 GLU CB . 17526 1 49 . 1 1 11 11 GLU CG C 13 37.073 0.000 . 1 . . . . 11 GLU CG . 17526 1 50 . 1 1 11 11 GLU N N 15 118.273 0.024 . 1 . . . . 11 GLU N . 17526 1 51 . 1 1 12 12 ALA H H 1 8.151 0.011 . 1 . . . . 12 ALA H . 17526 1 52 . 1 1 12 12 ALA HA H 1 4.037 0.001 . 1 . . . . 12 ALA HA . 17526 1 53 . 1 1 12 12 ALA HB1 H 1 1.064 0.000 . 1 . . . . 12 ALA HB1 . 17526 1 54 . 1 1 12 12 ALA HB2 H 1 1.064 0.000 . 1 . . . . 12 ALA HB2 . 17526 1 55 . 1 1 12 12 ALA HB3 H 1 1.064 0.000 . 1 . . . . 12 ALA HB3 . 17526 1 56 . 1 1 12 12 ALA CA C 13 54.494 0.066 . 1 . . . . 12 ALA CA . 17526 1 57 . 1 1 12 12 ALA CB C 13 17.914 0.049 . 1 . . . . 12 ALA CB . 17526 1 58 . 1 1 12 12 ALA N N 15 121.079 0.000 . 1 . . . . 12 ALA N . 17526 1 59 . 1 1 13 13 ALA H H 1 8.622 0.011 . 1 . . . . 13 ALA H . 17526 1 60 . 1 1 13 13 ALA HA H 1 3.940 0.000 . 1 . . . . 13 ALA HA . 17526 1 61 . 1 1 13 13 ALA HB1 H 1 1.390 0.000 . 1 . . . . 13 ALA HB1 . 17526 1 62 . 1 1 13 13 ALA HB2 H 1 1.390 0.000 . 1 . . . . 13 ALA HB2 . 17526 1 63 . 1 1 13 13 ALA HB3 H 1 1.390 0.000 . 1 . . . . 13 ALA HB3 . 17526 1 64 . 1 1 13 13 ALA CA C 13 55.618 0.058 . 1 . . . . 13 ALA CA . 17526 1 65 . 1 1 13 13 ALA CB C 13 18.148 0.093 . 1 . . . . 13 ALA CB . 17526 1 66 . 1 1 13 13 ALA N N 15 120.764 0.060 . 1 . . . . 13 ALA N . 17526 1 67 . 1 1 14 14 VAL H H 1 8.486 0.011 . 1 . . . . 14 VAL H . 17526 1 68 . 1 1 14 14 VAL HA H 1 3.234 0.002 . 1 . . . . 14 VAL HA . 17526 1 69 . 1 1 14 14 VAL HB H 1 1.870 0.000 . 1 . . . . 14 VAL HB . 17526 1 70 . 1 1 14 14 VAL HG11 H 1 0.457 0.001 . 2 . . . . 14 VAL HG11 . 17526 1 71 . 1 1 14 14 VAL HG12 H 1 0.457 0.001 . 2 . . . . 14 VAL HG12 . 17526 1 72 . 1 1 14 14 VAL HG13 H 1 0.457 0.001 . 2 . . . . 14 VAL HG13 . 17526 1 73 . 1 1 14 14 VAL HG21 H 1 0.961 0.000 . 2 . . . . 14 VAL HG21 . 17526 1 74 . 1 1 14 14 VAL HG22 H 1 0.961 0.000 . 2 . . . . 14 VAL HG22 . 17526 1 75 . 1 1 14 14 VAL HG23 H 1 0.961 0.000 . 2 . . . . 14 VAL HG23 . 17526 1 76 . 1 1 14 14 VAL CA C 13 67.201 0.016 . 1 . . . . 14 VAL CA . 17526 1 77 . 1 1 14 14 VAL CB C 13 31.119 0.073 . 1 . . . . 14 VAL CB . 17526 1 78 . 1 1 14 14 VAL CG1 C 13 21.137 0.019 . 2 . . . . 14 VAL CG1 . 17526 1 79 . 1 1 14 14 VAL CG2 C 13 25.547 0.012 . 2 . . . . 14 VAL CG2 . 17526 1 80 . 1 1 14 14 VAL N N 15 119.211 0.026 . 1 . . . . 14 VAL N . 17526 1 81 . 1 1 15 15 GLN H H 1 7.121 0.012 . 1 . . . . 15 GLN H . 17526 1 82 . 1 1 15 15 GLN HA H 1 3.763 0.000 . 1 . . . . 15 GLN HA . 17526 1 83 . 1 1 15 15 GLN HB2 H 1 2.161 0.001 . 1 . . . . 15 GLN HB2 . 17526 1 84 . 1 1 15 15 GLN HB3 H 1 2.161 0.001 . 1 . . . . 15 GLN HB3 . 17526 1 85 . 1 1 15 15 GLN HG2 H 1 2.096 0.000 . 2 . . . . 15 GLN HG2 . 17526 1 86 . 1 1 15 15 GLN HG3 H 1 2.235 0.000 . 2 . . . . 15 GLN HG3 . 17526 1 87 . 1 1 15 15 GLN CA C 13 58.741 0.036 . 1 . . . . 15 GLN CA . 17526 1 88 . 1 1 15 15 GLN CB C 13 29.073 0.059 . 1 . . . . 15 GLN CB . 17526 1 89 . 1 1 15 15 GLN CG C 13 34.184 0.000 . 1 . . . . 15 GLN CG . 17526 1 90 . 1 1 15 15 GLN N N 15 116.478 0.019 . 1 . . . . 15 GLN N . 17526 1 91 . 1 1 16 16 ALA H H 1 8.583 0.010 . 1 . . . . 16 ALA H . 17526 1 92 . 1 1 16 16 ALA HA H 1 3.740 0.000 . 1 . . . . 16 ALA HA . 17526 1 93 . 1 1 16 16 ALA HB1 H 1 0.967 0.000 . 1 . . . . 16 ALA HB1 . 17526 1 94 . 1 1 16 16 ALA HB2 H 1 0.967 0.000 . 1 . . . . 16 ALA HB2 . 17526 1 95 . 1 1 16 16 ALA HB3 H 1 0.967 0.000 . 1 . . . . 16 ALA HB3 . 17526 1 96 . 1 1 16 16 ALA CA C 13 54.607 0.055 . 1 . . . . 16 ALA CA . 17526 1 97 . 1 1 16 16 ALA CB C 13 18.700 0.000 . 1 . . . . 16 ALA CB . 17526 1 98 . 1 1 16 16 ALA N N 15 123.205 0.013 . 1 . . . . 16 ALA N . 17526 1 99 . 1 1 17 17 LEU H H 1 9.001 0.009 . 1 . . . . 17 LEU H . 17526 1 100 . 1 1 17 17 LEU HA H 1 4.174 0.000 . 1 . . . . 17 LEU HA . 17526 1 101 . 1 1 17 17 LEU HB2 H 1 1.434 0.000 . 2 . . . . 17 LEU HB2 . 17526 1 102 . 1 1 17 17 LEU HB3 H 1 2.034 0.000 . 2 . . . . 17 LEU HB3 . 17526 1 103 . 1 1 17 17 LEU HG H 1 1.640 0.000 . 1 . . . . 17 LEU HG . 17526 1 104 . 1 1 17 17 LEU HD11 H 1 0.686 0.000 . 2 . . . . 17 LEU HD11 . 17526 1 105 . 1 1 17 17 LEU HD12 H 1 0.686 0.000 . 2 . . . . 17 LEU HD12 . 17526 1 106 . 1 1 17 17 LEU HD13 H 1 0.686 0.000 . 2 . . . . 17 LEU HD13 . 17526 1 107 . 1 1 17 17 LEU HD21 H 1 1.062 0.000 . 2 . . . . 17 LEU HD21 . 17526 1 108 . 1 1 17 17 LEU HD22 H 1 1.062 0.000 . 2 . . . . 17 LEU HD22 . 17526 1 109 . 1 1 17 17 LEU HD23 H 1 1.062 0.000 . 2 . . . . 17 LEU HD23 . 17526 1 110 . 1 1 17 17 LEU CA C 13 57.827 0.042 . 1 . . . . 17 LEU CA . 17526 1 111 . 1 1 17 17 LEU CB C 13 41.090 0.000 . 1 . . . . 17 LEU CB . 17526 1 112 . 1 1 17 17 LEU CG C 13 27.143 0.000 . 1 . . . . 17 LEU CG . 17526 1 113 . 1 1 17 17 LEU CD1 C 13 25.483 0.000 . 2 . . . . 17 LEU CD1 . 17526 1 114 . 1 1 17 17 LEU CD2 C 13 22.855 0.000 . 2 . . . . 17 LEU CD2 . 17526 1 115 . 1 1 17 17 LEU N N 15 118.663 0.018 . 1 . . . . 17 LEU N . 17526 1 116 . 1 1 18 18 TYR H H 1 8.571 0.012 . 1 . . . . 18 TYR H . 17526 1 117 . 1 1 18 18 TYR HA H 1 4.032 0.000 . 1 . . . . 18 TYR HA . 17526 1 118 . 1 1 18 18 TYR HB2 H 1 2.923 0.000 . 2 . . . . 18 TYR HB2 . 17526 1 119 . 1 1 18 18 TYR HB3 H 1 3.227 0.000 . 2 . . . . 18 TYR HB3 . 17526 1 120 . 1 1 18 18 TYR HD1 H 1 6.878 0.000 . 3 . . . . 18 TYR HD1 . 17526 1 121 . 1 1 18 18 TYR HD2 H 1 6.878 0.000 . 3 . . . . 18 TYR HD2 . 17526 1 122 . 1 1 18 18 TYR HE1 H 1 6.733 0.000 . 3 . . . . 18 TYR HE1 . 17526 1 123 . 1 1 18 18 TYR HE2 H 1 6.733 0.000 . 3 . . . . 18 TYR HE2 . 17526 1 124 . 1 1 18 18 TYR CA C 13 61.471 0.036 . 1 . . . . 18 TYR CA . 17526 1 125 . 1 1 18 18 TYR CB C 13 38.032 0.034 . 1 . . . . 18 TYR CB . 17526 1 126 . 1 1 18 18 TYR CD1 C 13 132.6 0.000 . 3 . . . . 18 TYR CD1 . 17526 1 127 . 1 1 18 18 TYR CD2 C 13 132.6 0.000 . 3 . . . . 18 TYR CD2 . 17526 1 128 . 1 1 18 18 TYR CE1 C 13 117.722 0.000 . 3 . . . . 18 TYR CE1 . 17526 1 129 . 1 1 18 18 TYR CE2 C 13 117.722 0.000 . 3 . . . . 18 TYR CE2 . 17526 1 130 . 1 1 18 18 TYR N N 15 121.068 0.096 . 1 . . . . 18 TYR N . 17526 1 131 . 1 1 19 19 SER H H 1 7.596 0.013 . 1 . . . . 19 SER H . 17526 1 132 . 1 1 19 19 SER HA H 1 4.043 0.000 . 1 . . . . 19 SER HA . 17526 1 133 . 1 1 19 19 SER HB2 H 1 2.916 0.000 . 1 . . . . 19 SER HB2 . 17526 1 134 . 1 1 19 19 SER N N 15 112.473 0.023 . 1 . . . . 19 SER N . 17526 1 135 . 1 1 20 20 TRP H H 1 8.816 0.012 . 1 . . . . 20 TRP H . 17526 1 136 . 1 1 20 20 TRP HA H 1 4.323 0.000 . 1 . . . . 20 TRP HA . 17526 1 137 . 1 1 20 20 TRP HB2 H 1 3.131 0.000 . 2 . . . . 20 TRP HB2 . 17526 1 138 . 1 1 20 20 TRP HB3 H 1 3.587 0.000 . 2 . . . . 20 TRP HB3 . 17526 1 139 . 1 1 20 20 TRP HD1 H 1 7.245 0.000 . 1 . . . . 20 TRP HD1 . 17526 1 140 . 1 1 20 20 TRP HE3 H 1 7.527 0.000 . 1 . . . . 20 TRP HE3 . 17526 1 141 . 1 1 20 20 TRP HZ2 H 1 7.504 0.000 . 1 . . . . 20 TRP HZ2 . 17526 1 142 . 1 1 20 20 TRP HZ3 H 1 6.789 0.000 . 1 . . . . 20 TRP HZ3 . 17526 1 143 . 1 1 20 20 TRP HH2 H 1 7.289 0.000 . 1 . . . . 20 TRP HH2 . 17526 1 144 . 1 1 20 20 TRP CA C 13 60.482 0.062 . 1 . . . . 20 TRP CA . 17526 1 145 . 1 1 20 20 TRP CB C 13 28.552 0.046 . 1 . . . . 20 TRP CB . 17526 1 146 . 1 1 20 20 TRP CD1 C 13 127.337 0.000 . 1 . . . . 20 TRP CD1 . 17526 1 147 . 1 1 20 20 TRP CE3 C 13 120.161 0.005 . 1 . . . . 20 TRP CE3 . 17526 1 148 . 1 1 20 20 TRP CZ2 C 13 114.328 0.000 . 1 . . . . 20 TRP CZ2 . 17526 1 149 . 1 1 20 20 TRP CZ3 C 13 119.988 0.000 . 1 . . . . 20 TRP CZ3 . 17526 1 150 . 1 1 20 20 TRP CH2 C 13 123.998 0.000 . 1 . . . . 20 TRP CH2 . 17526 1 151 . 1 1 20 20 TRP N N 15 123.538 0.015 . 1 . . . . 20 TRP N . 17526 1 152 . 1 1 21 21 GLN H H 1 9.054 0.008 . 1 . . . . 21 GLN H . 17526 1 153 . 1 1 21 21 GLN HA H 1 3.263 0.000 . 1 . . . . 21 GLN HA . 17526 1 154 . 1 1 21 21 GLN HB2 H 1 2.241 0.000 . 1 . . . . 21 GLN HB2 . 17526 1 155 . 1 1 21 21 GLN HB3 H 1 2.241 0.000 . 1 . . . . 21 GLN HB3 . 17526 1 156 . 1 1 21 21 GLN HG2 H 1 2.684 0.000 . 2 . . . . 21 GLN HG2 . 17526 1 157 . 1 1 21 21 GLN HG3 H 1 2.251 0.001 . 2 . . . . 21 GLN HG3 . 17526 1 158 . 1 1 21 21 GLN CA C 13 58.233 0.052 . 1 . . . . 21 GLN CA . 17526 1 159 . 1 1 21 21 GLN CB C 13 28.012 0.074 . 1 . . . . 21 GLN CB . 17526 1 160 . 1 1 21 21 GLN CG C 13 35.868 0.000 . 1 . . . . 21 GLN CG . 17526 1 161 . 1 1 21 21 GLN N N 15 119.981 0.009 . 1 . . . . 21 GLN N . 17526 1 162 . 1 1 22 22 LEU H H 1 7.331 0.014 . 1 . . . . 22 LEU H . 17526 1 163 . 1 1 22 22 LEU HA H 1 4.041 0.000 . 1 . . . . 22 LEU HA . 17526 1 164 . 1 1 22 22 LEU HB2 H 1 1.420 0.000 . 2 . . . . 22 LEU HB2 . 17526 1 165 . 1 1 22 22 LEU HB3 H 1 1.581 0.000 . 2 . . . . 22 LEU HB3 . 17526 1 166 . 1 1 22 22 LEU HG H 1 1.428 0.000 . 1 . . . . 22 LEU HG . 17526 1 167 . 1 1 22 22 LEU HD11 H 1 0.677 0.000 . 2 . . . . 22 LEU HD11 . 17526 1 168 . 1 1 22 22 LEU HD12 H 1 0.677 0.000 . 2 . . . . 22 LEU HD12 . 17526 1 169 . 1 1 22 22 LEU HD13 H 1 0.677 0.000 . 2 . . . . 22 LEU HD13 . 17526 1 170 . 1 1 22 22 LEU HD21 H 1 0.533 0.000 . 2 . . . . 22 LEU HD21 . 17526 1 171 . 1 1 22 22 LEU HD22 H 1 0.533 0.000 . 2 . . . . 22 LEU HD22 . 17526 1 172 . 1 1 22 22 LEU HD23 H 1 0.533 0.000 . 2 . . . . 22 LEU HD23 . 17526 1 173 . 1 1 22 22 LEU CA C 13 56.359 0.064 . 1 . . . . 22 LEU CA . 17526 1 174 . 1 1 22 22 LEU CB C 13 42.266 0.050 . 1 . . . . 22 LEU CB . 17526 1 175 . 1 1 22 22 LEU CG C 13 26.915 0.000 . 1 . . . . 22 LEU CG . 17526 1 176 . 1 1 22 22 LEU CD1 C 13 24.318 0.000 . 2 . . . . 22 LEU CD1 . 17526 1 177 . 1 1 22 22 LEU CD2 C 13 22.848 0.000 . 2 . . . . 22 LEU CD2 . 17526 1 178 . 1 1 22 22 LEU N N 15 117.389 0.013 . 1 . . . . 22 LEU N . 17526 1 179 . 1 1 23 23 SER H H 1 8.121 0.007 . 1 . . . . 23 SER H . 17526 1 180 . 1 1 23 23 SER HA H 1 4.266 0.000 . 1 . . . . 23 SER HA . 17526 1 181 . 1 1 23 23 SER HB2 H 1 3.815 0.000 . 1 . . . . 23 SER HB2 . 17526 1 182 . 1 1 23 23 SER HB3 H 1 3.815 0.000 . 1 . . . . 23 SER HB3 . 17526 1 183 . 1 1 23 23 SER CA C 13 59.401 0.035 . 1 . . . . 23 SER CA . 17526 1 184 . 1 1 23 23 SER CB C 13 64.113 0.002 . 1 . . . . 23 SER CB . 17526 1 185 . 1 1 23 23 SER N N 15 114.314 0.010 . 1 . . . . 23 SER N . 17526 1 186 . 1 1 24 24 GLN H H 1 8.535 0.010 . 1 . . . . 24 GLN H . 17526 1 187 . 1 1 24 24 GLN HA H 1 3.558 0.000 . 1 . . . . 24 GLN HA . 17526 1 188 . 1 1 24 24 GLN HB2 H 1 1.973 0.000 . 1 . . . . 24 GLN HB2 . 17526 1 189 . 1 1 24 24 GLN HB3 H 1 1.973 0.000 . 1 . . . . 24 GLN HB3 . 17526 1 190 . 1 1 24 24 GLN HG2 H 1 1.994 0.001 . 1 . . . . 24 GLN HG2 . 17526 1 191 . 1 1 24 24 GLN HG3 H 1 1.994 0.001 . 1 . . . . 24 GLN HG3 . 17526 1 192 . 1 1 24 24 GLN HE21 H 1 5.811 0.000 . 1 . . . . 24 GLN HE21 . 17526 1 193 . 1 1 24 24 GLN HE22 H 1 7.005 0.000 . 1 . . . . 24 GLN HE22 . 17526 1 194 . 1 1 24 24 GLN CA C 13 56.150 0.035 . 1 . . . . 24 GLN CA . 17526 1 195 . 1 1 24 24 GLN CB C 13 26.622 0.066 . 1 . . . . 24 GLN CB . 17526 1 196 . 1 1 24 24 GLN CG C 13 33.794 0.005 . 1 . . . . 24 GLN CG . 17526 1 197 . 1 1 24 24 GLN N N 15 117.074 0.017 . 1 . . . . 24 GLN N . 17526 1 198 . 1 1 24 24 GLN NE2 N 15 112.509 0.001 . 1 . . . . 24 GLN NE2 . 17526 1 199 . 1 1 25 25 ASN H H 1 7.922 0.010 . 1 . . . . 25 ASN H . 17526 1 200 . 1 1 25 25 ASN HA H 1 4.740 0.006 . 1 . . . . 25 ASN HA . 17526 1 201 . 1 1 25 25 ASN HB2 H 1 2.803 0.000 . 1 . . . . 25 ASN HB2 . 17526 1 202 . 1 1 25 25 ASN HB3 H 1 2.803 0.000 . 1 . . . . 25 ASN HB3 . 17526 1 203 . 1 1 25 25 ASN HD21 H 1 6.979 0.000 . 1 . . . . 25 ASN HD21 . 17526 1 204 . 1 1 25 25 ASN HD22 H 1 7.542 0.000 . 1 . . . . 25 ASN HD22 . 17526 1 205 . 1 1 25 25 ASN CA C 13 52.263 0.122 . 1 . . . . 25 ASN CA . 17526 1 206 . 1 1 25 25 ASN CB C 13 38.801 0.045 . 1 . . . . 25 ASN CB . 17526 1 207 . 1 1 25 25 ASN N N 15 117.372 0.006 . 1 . . . . 25 ASN N . 17526 1 208 . 1 1 25 25 ASN ND2 N 15 111.786 0.005 . 1 . . . . 25 ASN ND2 . 17526 1 209 . 1 1 26 26 ASP H H 1 8.518 0.018 . 1 . . . . 26 ASP H . 17526 1 210 . 1 1 26 26 ASP CA C 13 54.611 0.044 . 1 . . . . 26 ASP CA . 17526 1 211 . 1 1 26 26 ASP CB C 13 41.967 0.012 . 1 . . . . 26 ASP CB . 17526 1 212 . 1 1 26 26 ASP N N 15 119.580 0.123 . 1 . . . . 26 ASP N . 17526 1 213 . 1 1 27 27 ILE H H 1 8.753 0.004 . 1 . . . . 27 ILE H . 17526 1 214 . 1 1 27 27 ILE HA H 1 3.694 0.006 . 1 . . . . 27 ILE HA . 17526 1 215 . 1 1 27 27 ILE HB H 1 1.011 0.000 . 1 . . . . 27 ILE HB . 17526 1 216 . 1 1 27 27 ILE HG12 H 1 1.070 0.055 . 1 . . . . 27 ILE HG12 . 17526 1 217 . 1 1 27 27 ILE HG21 H 1 0.572 0.004 . 1 . . . . 27 ILE HG21 . 17526 1 218 . 1 1 27 27 ILE HG22 H 1 0.572 0.004 . 1 . . . . 27 ILE HG22 . 17526 1 219 . 1 1 27 27 ILE HG23 H 1 0.572 0.004 . 1 . . . . 27 ILE HG23 . 17526 1 220 . 1 1 27 27 ILE HD11 H 1 -0.160 0.009 . 1 . . . . 27 ILE HD11 . 17526 1 221 . 1 1 27 27 ILE HD12 H 1 -0.160 0.009 . 1 . . . . 27 ILE HD12 . 17526 1 222 . 1 1 27 27 ILE HD13 H 1 -0.160 0.009 . 1 . . . . 27 ILE HD13 . 17526 1 223 . 1 1 27 27 ILE CA C 13 60.802 0.065 . 1 . . . . 27 ILE CA . 17526 1 224 . 1 1 27 27 ILE CB C 13 37.838 0.081 . 1 . . . . 27 ILE CB . 17526 1 225 . 1 1 27 27 ILE CG1 C 13 22.180 0.000 . 1 . . . . 27 ILE CG1 . 17526 1 226 . 1 1 27 27 ILE CG2 C 13 17.883 0.113 . 1 . . . . 27 ILE CG2 . 17526 1 227 . 1 1 27 27 ILE CD1 C 13 12.200 0.008 . 1 . . . . 27 ILE CD1 . 17526 1 228 . 1 1 27 27 ILE N N 15 127.063 0.126 . 1 . . . . 27 ILE N . 17526 1 229 . 1 1 28 28 ALA H H 1 8.537 0.010 . 1 . . . . 28 ALA H . 17526 1 230 . 1 1 28 28 ALA HA H 1 4.124 0.000 . 1 . . . . 28 ALA HA . 17526 1 231 . 1 1 28 28 ALA HB1 H 1 1.322 0.000 . 1 . . . . 28 ALA HB1 . 17526 1 232 . 1 1 28 28 ALA HB2 H 1 1.322 0.000 . 1 . . . . 28 ALA HB2 . 17526 1 233 . 1 1 28 28 ALA HB3 H 1 1.322 0.000 . 1 . . . . 28 ALA HB3 . 17526 1 234 . 1 1 28 28 ALA CA C 13 54.544 0.076 . 1 . . . . 28 ALA CA . 17526 1 235 . 1 1 28 28 ALA CB C 13 18.335 0.083 . 1 . . . . 28 ALA CB . 17526 1 236 . 1 1 28 28 ALA N N 15 124.626 0.025 . 1 . . . . 28 ALA N . 17526 1 237 . 1 1 29 29 ASP H H 1 7.471 0.012 . 1 . . . . 29 ASP H . 17526 1 238 . 1 1 29 29 ASP HA H 1 4.569 0.000 . 1 . . . . 29 ASP HA . 17526 1 239 . 1 1 29 29 ASP HB2 H 1 2.852 0.000 . 1 . . . . 29 ASP HB2 . 17526 1 240 . 1 1 29 29 ASP HB3 H 1 2.852 0.000 . 1 . . . . 29 ASP HB3 . 17526 1 241 . 1 1 29 29 ASP CA C 13 56.644 0.114 . 1 . . . . 29 ASP CA . 17526 1 242 . 1 1 29 29 ASP CB C 13 40.377 0.036 . 1 . . . . 29 ASP CB . 17526 1 243 . 1 1 29 29 ASP N N 15 118.408 0.042 . 1 . . . . 29 ASP N . 17526 1 244 . 1 1 30 30 VAL H H 1 7.581 0.007 . 1 . . . . 30 VAL H . 17526 1 245 . 1 1 30 30 VAL HA H 1 3.824 0.003 . 1 . . . . 30 VAL HA . 17526 1 246 . 1 1 30 30 VAL HB H 1 2.160 0.000 . 1 . . . . 30 VAL HB . 17526 1 247 . 1 1 30 30 VAL HG11 H 1 0.800 0.000 . 2 . . . . 30 VAL HG11 . 17526 1 248 . 1 1 30 30 VAL HG12 H 1 0.800 0.000 . 2 . . . . 30 VAL HG12 . 17526 1 249 . 1 1 30 30 VAL HG13 H 1 0.800 0.000 . 2 . . . . 30 VAL HG13 . 17526 1 250 . 1 1 30 30 VAL HG21 H 1 1.061 0.000 . 2 . . . . 30 VAL HG21 . 17526 1 251 . 1 1 30 30 VAL HG22 H 1 1.061 0.000 . 2 . . . . 30 VAL HG22 . 17526 1 252 . 1 1 30 30 VAL HG23 H 1 1.061 0.000 . 2 . . . . 30 VAL HG23 . 17526 1 253 . 1 1 30 30 VAL CA C 13 65.599 0.018 . 1 . . . . 30 VAL CA . 17526 1 254 . 1 1 30 30 VAL CB C 13 31.735 0.000 . 1 . . . . 30 VAL CB . 17526 1 255 . 1 1 30 30 VAL CG1 C 13 21.834 0.000 . 1 . . . . 30 VAL CG1 . 17526 1 256 . 1 1 30 30 VAL CG2 C 13 21.833 0.000 . 1 . . . . 30 VAL CG2 . 17526 1 257 . 1 1 30 30 VAL N N 15 121.336 0.010 . 1 . . . . 30 VAL N . 17526 1 258 . 1 1 31 31 GLU H H 1 8.484 0.011 . 1 . . . . 31 GLU H . 17526 1 259 . 1 1 31 31 GLU HB2 H 1 2.006 0.000 . 1 . . . . 31 GLU HB2 . 17526 1 260 . 1 1 31 31 GLU HB3 H 1 2.006 0.000 . 1 . . . . 31 GLU HB3 . 17526 1 261 . 1 1 31 31 GLU HG2 H 1 2.225 0.000 . 1 . . . . 31 GLU HG2 . 17526 1 262 . 1 1 31 31 GLU HG3 H 1 2.225 0.000 . 1 . . . . 31 GLU HG3 . 17526 1 263 . 1 1 31 31 GLU CA C 13 60.126 0.085 . 1 . . . . 31 GLU CA . 17526 1 264 . 1 1 31 31 GLU CB C 13 30.242 0.077 . 1 . . . . 31 GLU CB . 17526 1 265 . 1 1 31 31 GLU CG C 13 36.429 0.000 . 1 . . . . 31 GLU CG . 17526 1 266 . 1 1 31 31 GLU N N 15 120.170 0.025 . 1 . . . . 31 GLU N . 17526 1 267 . 1 1 32 32 TYR H H 1 7.816 0.012 . 1 . . . . 32 TYR H . 17526 1 268 . 1 1 32 32 TYR HA H 1 4.094 0.000 . 1 . . . . 32 TYR HA . 17526 1 269 . 1 1 32 32 TYR HB2 H 1 3.104 0.000 . 2 . . . . 32 TYR HB2 . 17526 1 270 . 1 1 32 32 TYR HB3 H 1 3.238 0.000 . 2 . . . . 32 TYR HB3 . 17526 1 271 . 1 1 32 32 TYR HD1 H 1 7.077 0.000 . 3 . . . . 32 TYR HD1 . 17526 1 272 . 1 1 32 32 TYR HD2 H 1 7.077 0.000 . 3 . . . . 32 TYR HD2 . 17526 1 273 . 1 1 32 32 TYR HE1 H 1 6.750 0.000 . 3 . . . . 32 TYR HE1 . 17526 1 274 . 1 1 32 32 TYR HE2 H 1 6.750 0.000 . 3 . . . . 32 TYR HE2 . 17526 1 275 . 1 1 32 32 TYR CA C 13 61.299 0.059 . 1 . . . . 32 TYR CA . 17526 1 276 . 1 1 32 32 TYR CB C 13 38.306 0.066 . 1 . . . . 32 TYR CB . 17526 1 277 . 1 1 32 32 TYR CD1 C 13 133.037 0.000 . 3 . . . . 32 TYR CD1 . 17526 1 278 . 1 1 32 32 TYR CD2 C 13 133.037 0.000 . 3 . . . . 32 TYR CD2 . 17526 1 279 . 1 1 32 32 TYR CE1 C 13 117.975 0.000 . 3 . . . . 32 TYR CE1 . 17526 1 280 . 1 1 32 32 TYR CE2 C 13 117.975 0.000 . 3 . . . . 32 TYR CE2 . 17526 1 281 . 1 1 32 32 TYR N N 15 117.225 0.011 . 1 . . . . 32 TYR N . 17526 1 282 . 1 1 33 33 GLN H H 1 8.097 0.010 . 1 . . . . 33 GLN H . 17526 1 283 . 1 1 33 33 GLN HA H 1 3.904 0.002 . 1 . . . . 33 GLN HA . 17526 1 284 . 1 1 33 33 GLN HB2 H 1 2.145 0.000 . 1 . . . . 33 GLN HB2 . 17526 1 285 . 1 1 33 33 GLN HB3 H 1 2.145 0.000 . 1 . . . . 33 GLN HB3 . 17526 1 286 . 1 1 33 33 GLN HG2 H 1 2.262 0.000 . 2 . . . . 33 GLN HG2 . 17526 1 287 . 1 1 33 33 GLN HG3 H 1 2.445 0.000 . 2 . . . . 33 GLN HG3 . 17526 1 288 . 1 1 33 33 GLN CA C 13 58.317 0.071 . 1 . . . . 33 GLN CA . 17526 1 289 . 1 1 33 33 GLN CB C 13 28.234 0.033 . 1 . . . . 33 GLN CB . 17526 1 290 . 1 1 33 33 GLN CG C 13 33.146 0.000 . 1 . . . . 33 GLN CG . 17526 1 291 . 1 1 33 33 GLN N N 15 117.787 0.024 . 1 . . . . 33 GLN N . 17526 1 292 . 1 1 34 34 PHE H H 1 8.234 0.012 . 1 . . . . 34 PHE H . 17526 1 293 . 1 1 34 34 PHE HA H 1 4.045 0.000 . 1 . . . . 34 PHE HA . 17526 1 294 . 1 1 34 34 PHE HB2 H 1 2.997 0.000 . 2 . . . . 34 PHE HB2 . 17526 1 295 . 1 1 34 34 PHE HB3 H 1 3.154 0.000 . 2 . . . . 34 PHE HB3 . 17526 1 296 . 1 1 34 34 PHE HD1 H 1 7.103 0.000 . 3 . . . . 34 PHE HD1 . 17526 1 297 . 1 1 34 34 PHE HD2 H 1 7.103 0.000 . 3 . . . . 34 PHE HD2 . 17526 1 298 . 1 1 34 34 PHE HE1 H 1 7.077 0.000 . 3 . . . . 34 PHE HE1 . 17526 1 299 . 1 1 34 34 PHE HE2 H 1 7.077 0.000 . 3 . . . . 34 PHE HE2 . 17526 1 300 . 1 1 34 34 PHE HZ H 1 7.047 0.000 . 1 . . . . 34 PHE HZ . 17526 1 301 . 1 1 34 34 PHE CA C 13 61.462 0.053 . 1 . . . . 34 PHE CA . 17526 1 302 . 1 1 34 34 PHE CB C 13 39.783 0.000 . 1 . . . . 34 PHE CB . 17526 1 303 . 1 1 34 34 PHE CD1 C 13 131.362 0.000 . 3 . . . . 34 PHE CD1 . 17526 1 304 . 1 1 34 34 PHE CD2 C 13 131.362 0.000 . 3 . . . . 34 PHE CD2 . 17526 1 305 . 1 1 34 34 PHE CE1 C 13 133.057 0.000 . 3 . . . . 34 PHE CE1 . 17526 1 306 . 1 1 34 34 PHE CE2 C 13 133.057 0.000 . 3 . . . . 34 PHE CE2 . 17526 1 307 . 1 1 34 34 PHE CZ C 13 129.706 0.000 . 1 . . . . 34 PHE CZ . 17526 1 308 . 1 1 34 34 PHE N N 15 118.439 0.027 . 1 . . . . 34 PHE N . 17526 1 309 . 1 1 35 35 LEU H H 1 8.203 0.009 . 1 . . . . 35 LEU H . 17526 1 310 . 1 1 35 35 LEU HA H 1 3.953 0.001 . 1 . . . . 35 LEU HA . 17526 1 311 . 1 1 35 35 LEU HB2 H 1 1.774 0.000 . 2 . . . . 35 LEU HB2 . 17526 1 312 . 1 1 35 35 LEU HB3 H 1 1.898 0.000 . 2 . . . . 35 LEU HB3 . 17526 1 313 . 1 1 35 35 LEU HG H 1 1.444 0.000 . 1 . . . . 35 LEU HG . 17526 1 314 . 1 1 35 35 LEU HD11 H 1 0.835 0.000 . 1 . . . . 35 LEU HD11 . 17526 1 315 . 1 1 35 35 LEU HD12 H 1 0.835 0.000 . 1 . . . . 35 LEU HD12 . 17526 1 316 . 1 1 35 35 LEU HD13 H 1 0.835 0.000 . 1 . . . . 35 LEU HD13 . 17526 1 317 . 1 1 35 35 LEU HD21 H 1 0.835 0.000 . 1 . . . . 35 LEU HD21 . 17526 1 318 . 1 1 35 35 LEU HD22 H 1 0.835 0.000 . 1 . . . . 35 LEU HD22 . 17526 1 319 . 1 1 35 35 LEU HD23 H 1 0.835 0.000 . 1 . . . . 35 LEU HD23 . 17526 1 320 . 1 1 35 35 LEU CA C 13 56.496 0.052 . 1 . . . . 35 LEU CA . 17526 1 321 . 1 1 35 35 LEU CB C 13 41.522 0.079 . 1 . . . . 35 LEU CB . 17526 1 322 . 1 1 35 35 LEU CG C 13 26.752 0.000 . 1 . . . . 35 LEU CG . 17526 1 323 . 1 1 35 35 LEU CD1 C 13 22.885 0.006 . 2 . . . . 35 LEU CD1 . 17526 1 324 . 1 1 35 35 LEU CD2 C 13 25.414 0.000 . 2 . . . . 35 LEU CD2 . 17526 1 325 . 1 1 35 35 LEU N N 15 117.393 0.000 . 1 . . . . 35 LEU N . 17526 1 326 . 1 1 36 36 ALA H H 1 7.639 0.011 . 1 . . . . 36 ALA H . 17526 1 327 . 1 1 36 36 ALA HA H 1 4.063 0.000 . 1 . . . . 36 ALA HA . 17526 1 328 . 1 1 36 36 ALA HB1 H 1 1.213 0.000 . 1 . . . . 36 ALA HB1 . 17526 1 329 . 1 1 36 36 ALA HB2 H 1 1.213 0.000 . 1 . . . . 36 ALA HB2 . 17526 1 330 . 1 1 36 36 ALA HB3 H 1 1.213 0.000 . 1 . . . . 36 ALA HB3 . 17526 1 331 . 1 1 36 36 ALA CA C 13 53.652 0.060 . 1 . . . . 36 ALA CA . 17526 1 332 . 1 1 36 36 ALA CB C 13 18.619 0.074 . 1 . . . . 36 ALA CB . 17526 1 333 . 1 1 36 36 ALA N N 15 120.007 0.031 . 1 . . . . 36 ALA N . 17526 1 334 . 1 1 37 37 GLU H H 1 7.510 0.012 . 1 . . . . 37 GLU H . 17526 1 335 . 1 1 37 37 GLU HA H 1 4.264 0.000 . 1 . . . . 37 GLU HA . 17526 1 336 . 1 1 37 37 GLU HB2 H 1 1.873 0.000 . 1 . . . . 37 GLU HB2 . 17526 1 337 . 1 1 37 37 GLU HG2 H 1 2.106 0.000 . 2 . . . . 37 GLU HG2 . 17526 1 338 . 1 1 37 37 GLU HG3 H 1 2.258 0.003 . 2 . . . . 37 GLU HG3 . 17526 1 339 . 1 1 37 37 GLU CA C 13 56.306 0.083 . 1 . . . . 37 GLU CA . 17526 1 340 . 1 1 37 37 GLU CB C 13 30.851 0.056 . 1 . . . . 37 GLU CB . 17526 1 341 . 1 1 37 37 GLU CG C 13 35.853 0.000 . 1 . . . . 37 GLU CG . 17526 1 342 . 1 1 37 37 GLU N N 15 114.623 0.027 . 1 . . . . 37 GLU N . 17526 1 343 . 1 1 38 38 GLN H H 1 7.574 0.011 . 1 . . . . 38 GLN H . 17526 1 344 . 1 1 38 38 GLN HA H 1 4.192 0.000 . 1 . . . . 38 GLN HA . 17526 1 345 . 1 1 38 38 GLN HB2 H 1 1.476 0.000 . 1 . . . . 38 GLN HB2 . 17526 1 346 . 1 1 38 38 GLN HB3 H 1 1.476 0.000 . 1 . . . . 38 GLN HB3 . 17526 1 347 . 1 1 38 38 GLN HG2 H 1 2.053 0.000 . 1 . . . . 38 GLN HG2 . 17526 1 348 . 1 1 38 38 GLN HG3 H 1 2.053 0.000 . 1 . . . . 38 GLN HG3 . 17526 1 349 . 1 1 38 38 GLN HE21 H 1 6.494 0.000 . 1 . . . . 38 GLN HE21 . 17526 1 350 . 1 1 38 38 GLN HE22 H 1 7.194 0.000 . 1 . . . . 38 GLN HE22 . 17526 1 351 . 1 1 38 38 GLN CA C 13 54.320 0.043 . 1 . . . . 38 GLN CA . 17526 1 352 . 1 1 38 38 GLN CB C 13 28.902 0.063 . 1 . . . . 38 GLN CB . 17526 1 353 . 1 1 38 38 GLN CG C 13 32.368 0.000 . 1 . . . . 38 GLN CG . 17526 1 354 . 1 1 38 38 GLN N N 15 117.304 0.017 . 1 . . . . 38 GLN N . 17526 1 355 . 1 1 38 38 GLN NE2 N 15 111.817 0.028 . 1 . . . . 38 GLN NE2 . 17526 1 356 . 1 1 39 39 ASP H H 1 8.329 0.005 . 1 . . . . 39 ASP H . 17526 1 357 . 1 1 39 39 ASP HA H 1 4.582 0.000 . 1 . . . . 39 ASP HA . 17526 1 358 . 1 1 39 39 ASP HB2 H 1 2.526 0.000 . 2 . . . . 39 ASP HB2 . 17526 1 359 . 1 1 39 39 ASP HB3 H 1 2.763 0.000 . 2 . . . . 39 ASP HB3 . 17526 1 360 . 1 1 39 39 ASP CA C 13 53.680 0.074 . 1 . . . . 39 ASP CA . 17526 1 361 . 1 1 39 39 ASP CB C 13 40.818 0.000 . 1 . . . . 39 ASP CB . 17526 1 362 . 1 1 39 39 ASP N N 15 121.150 0.004 . 1 . . . . 39 ASP N . 17526 1 363 . 1 1 40 40 VAL H H 1 8.201 0.006 . 1 . . . . 40 VAL H . 17526 1 364 . 1 1 40 40 VAL HA H 1 4.270 0.000 . 1 . . . . 40 VAL HA . 17526 1 365 . 1 1 40 40 VAL HB H 1 2.280 0.000 . 1 . . . . 40 VAL HB . 17526 1 366 . 1 1 40 40 VAL HG11 H 1 0.786 0.000 . 1 . . . . 40 VAL HG11 . 17526 1 367 . 1 1 40 40 VAL HG12 H 1 0.786 0.000 . 1 . . . . 40 VAL HG12 . 17526 1 368 . 1 1 40 40 VAL HG13 H 1 0.786 0.000 . 1 . . . . 40 VAL HG13 . 17526 1 369 . 1 1 40 40 VAL HG21 H 1 0.786 0.000 . 1 . . . . 40 VAL HG21 . 17526 1 370 . 1 1 40 40 VAL HG22 H 1 0.786 0.000 . 1 . . . . 40 VAL HG22 . 17526 1 371 . 1 1 40 40 VAL HG23 H 1 0.786 0.000 . 1 . . . . 40 VAL HG23 . 17526 1 372 . 1 1 40 40 VAL CA C 13 61.420 0.048 . 1 . . . . 40 VAL CA . 17526 1 373 . 1 1 40 40 VAL CB C 13 31.280 0.082 . 1 . . . . 40 VAL CB . 17526 1 374 . 1 1 40 40 VAL CG1 C 13 21.250 0.000 . 2 . . . . 40 VAL CG1 . 17526 1 375 . 1 1 40 40 VAL CG2 C 13 18.468 0.000 . 2 . . . . 40 VAL CG2 . 17526 1 376 . 1 1 40 40 VAL N N 15 119.512 0.017 . 1 . . . . 40 VAL N . 17526 1 377 . 1 1 41 41 LYS H H 1 8.152 0.010 . 1 . . . . 41 LYS H . 17526 1 378 . 1 1 41 41 LYS HA H 1 4.087 0.000 . 1 . . . . 41 LYS HA . 17526 1 379 . 1 1 41 41 LYS HG2 H 1 1.406 0.000 . 1 . . . . 41 LYS HG2 . 17526 1 380 . 1 1 41 41 LYS HG3 H 1 1.406 0.000 . 1 . . . . 41 LYS HG3 . 17526 1 381 . 1 1 41 41 LYS HD2 H 1 1.665 0.000 . 1 . . . . 41 LYS HD2 . 17526 1 382 . 1 1 41 41 LYS HD3 H 1 1.665 0.000 . 1 . . . . 41 LYS HD3 . 17526 1 383 . 1 1 41 41 LYS HE2 H 1 2.967 0.000 . 1 . . . . 41 LYS HE2 . 17526 1 384 . 1 1 41 41 LYS HE3 H 1 2.967 0.000 . 1 . . . . 41 LYS HE3 . 17526 1 385 . 1 1 41 41 LYS CA C 13 58.489 0.060 . 1 . . . . 41 LYS CA . 17526 1 386 . 1 1 41 41 LYS CB C 13 31.913 0.062 . 1 . . . . 41 LYS CB . 17526 1 387 . 1 1 41 41 LYS CG C 13 24.179 0.000 . 1 . . . . 41 LYS CG . 17526 1 388 . 1 1 41 41 LYS CD C 13 28.730 0.000 . 1 . . . . 41 LYS CD . 17526 1 389 . 1 1 41 41 LYS CE C 13 41.512 0.000 . 1 . . . . 41 LYS CE . 17526 1 390 . 1 1 41 41 LYS N N 15 122.333 0.004 . 1 . . . . 41 LYS N . 17526 1 391 . 1 1 42 42 ASP H H 1 8.303 0.009 . 1 . . . . 42 ASP H . 17526 1 392 . 1 1 42 42 ASP HA H 1 4.623 0.000 . 1 . . . . 42 ASP HA . 17526 1 393 . 1 1 42 42 ASP HB2 H 1 2.654 0.000 . 1 . . . . 42 ASP HB2 . 17526 1 394 . 1 1 42 42 ASP HB3 H 1 2.654 0.000 . 1 . . . . 42 ASP HB3 . 17526 1 395 . 1 1 42 42 ASP CA C 13 53.569 0.000 . 1 . . . . 42 ASP CA . 17526 1 396 . 1 1 42 42 ASP CB C 13 41.001 0.068 . 1 . . . . 42 ASP CB . 17526 1 397 . 1 1 42 42 ASP N N 15 117.293 0.020 . 1 . . . . 42 ASP N . 17526 1 398 . 1 1 43 43 VAL H H 1 7.475 0.013 . 1 . . . . 43 VAL H . 17526 1 399 . 1 1 43 43 VAL CA C 13 61.218 0.048 . 1 . . . . 43 VAL CA . 17526 1 400 . 1 1 43 43 VAL CB C 13 34.166 0.063 . 1 . . . . 43 VAL CB . 17526 1 401 . 1 1 43 43 VAL CG1 C 13 23.242 0.000 . 2 . . . . 43 VAL CG1 . 17526 1 402 . 1 1 43 43 VAL CG2 C 13 20.379 0.000 . 2 . . . . 43 VAL CG2 . 17526 1 403 . 1 1 43 43 VAL N N 15 118.161 0.089 . 1 . . . . 43 VAL N . 17526 1 404 . 1 1 44 44 ASP H H 1 7.023 0.012 . 1 . . . . 44 ASP H . 17526 1 405 . 1 1 44 44 ASP CA C 13 52.356 0.019 . 1 . . . . 44 ASP CA . 17526 1 406 . 1 1 44 44 ASP CB C 13 39.189 0.034 . 1 . . . . 44 ASP CB . 17526 1 407 . 1 1 44 44 ASP N N 15 123.226 0.022 . 1 . . . . 44 ASP N . 17526 1 408 . 1 1 45 45 VAL H H 1 8.024 0.003 . 1 . . . . 45 VAL H . 17526 1 409 . 1 1 45 45 VAL HA H 1 3.550 0.003 . 1 . . . . 45 VAL HA . 17526 1 410 . 1 1 45 45 VAL HB H 1 2.096 0.000 . 1 . . . . 45 VAL HB . 17526 1 411 . 1 1 45 45 VAL HG11 H 1 1.025 0.000 . 1 . . . . 45 VAL HG11 . 17526 1 412 . 1 1 45 45 VAL HG12 H 1 1.025 0.000 . 1 . . . . 45 VAL HG12 . 17526 1 413 . 1 1 45 45 VAL HG13 H 1 1.025 0.000 . 1 . . . . 45 VAL HG13 . 17526 1 414 . 1 1 45 45 VAL HG21 H 1 1.025 0.000 . 1 . . . . 45 VAL HG21 . 17526 1 415 . 1 1 45 45 VAL HG22 H 1 1.025 0.000 . 1 . . . . 45 VAL HG22 . 17526 1 416 . 1 1 45 45 VAL HG23 H 1 1.025 0.000 . 1 . . . . 45 VAL HG23 . 17526 1 417 . 1 1 45 45 VAL CA C 13 66.612 0.035 . 1 . . . . 45 VAL CA . 17526 1 418 . 1 1 45 45 VAL CB C 13 31.794 0.074 . 1 . . . . 45 VAL CB . 17526 1 419 . 1 1 45 45 VAL CG1 C 13 21.762 0.000 . 1 . . . . 45 VAL CG1 . 17526 1 420 . 1 1 45 45 VAL CG2 C 13 21.767 0.000 . 2 . . . . 45 VAL CG2 . 17526 1 421 . 1 1 45 45 VAL N N 15 128.645 0.000 . 1 . . . . 45 VAL N . 17526 1 422 . 1 1 46 46 LEU H H 1 8.074 0.011 . 1 . . . . 46 LEU H . 17526 1 423 . 1 1 46 46 LEU HA H 1 4.056 0.000 . 1 . . . . 46 LEU HA . 17526 1 424 . 1 1 46 46 LEU HB2 H 1 1.713 0.000 . 1 . . . . 46 LEU HB2 . 17526 1 425 . 1 1 46 46 LEU HB3 H 1 1.713 0.000 . 1 . . . . 46 LEU HB3 . 17526 1 426 . 1 1 46 46 LEU HD11 H 1 1.691 0.000 . 1 . . . . 46 LEU HD11 . 17526 1 427 . 1 1 46 46 LEU HD12 H 1 1.691 0.000 . 1 . . . . 46 LEU HD12 . 17526 1 428 . 1 1 46 46 LEU HD13 H 1 1.691 0.000 . 1 . . . . 46 LEU HD13 . 17526 1 429 . 1 1 46 46 LEU CA C 13 58.162 0.047 . 1 . . . . 46 LEU CA . 17526 1 430 . 1 1 46 46 LEU CB C 13 40.976 0.102 . 1 . . . . 46 LEU CB . 17526 1 431 . 1 1 46 46 LEU CG C 13 25.549 0.000 . 1 . . . . 46 LEU CG . 17526 1 432 . 1 1 46 46 LEU CD1 C 13 23.917 0.000 . 2 . . . . 46 LEU CD1 . 17526 1 433 . 1 1 46 46 LEU CD2 C 13 20.817 0.000 . 2 . . . . 46 LEU CD2 . 17526 1 434 . 1 1 46 46 LEU N N 15 120.282 0.012 . 1 . . . . 46 LEU N . 17526 1 435 . 1 1 47 47 TYR H H 1 7.812 0.015 . 1 . . . . 47 TYR H . 17526 1 436 . 1 1 47 47 TYR HB2 H 1 2.538 0.001 . 2 . . . . 47 TYR HB2 . 17526 1 437 . 1 1 47 47 TYR HB3 H 1 2.817 0.000 . 2 . . . . 47 TYR HB3 . 17526 1 438 . 1 1 47 47 TYR HD1 H 1 6.816 0.000 . 3 . . . . 47 TYR HD1 . 17526 1 439 . 1 1 47 47 TYR HD2 H 1 6.816 0.000 . 3 . . . . 47 TYR HD2 . 17526 1 440 . 1 1 47 47 TYR HE1 H 1 6.512 0.000 . 3 . . . . 47 TYR HE1 . 17526 1 441 . 1 1 47 47 TYR HE2 H 1 6.512 0.000 . 3 . . . . 47 TYR HE2 . 17526 1 442 . 1 1 47 47 TYR CA C 13 61.919 0.048 . 1 . . . . 47 TYR CA . 17526 1 443 . 1 1 47 47 TYR CB C 13 38.807 0.020 . 1 . . . . 47 TYR CB . 17526 1 444 . 1 1 47 47 TYR CD1 C 13 131.414 0.000 . 3 . . . . 47 TYR CD1 . 17526 1 445 . 1 1 47 47 TYR CD2 C 13 131.414 0.000 . 3 . . . . 47 TYR CD2 . 17526 1 446 . 1 1 47 47 TYR CE1 C 13 116.943 0.000 . 3 . . . . 47 TYR CE1 . 17526 1 447 . 1 1 47 47 TYR CE2 C 13 116.943 0.000 . 3 . . . . 47 TYR CE2 . 17526 1 448 . 1 1 47 47 TYR N N 15 121.669 0.063 . 1 . . . . 47 TYR N . 17526 1 449 . 1 1 48 48 PHE H H 1 8.290 0.009 . 1 . . . . 48 PHE H . 17526 1 450 . 1 1 48 48 PHE HA H 1 3.919 0.000 . 1 . . . . 48 PHE HA . 17526 1 451 . 1 1 48 48 PHE HB2 H 1 3.020 0.048 . 2 . . . . 48 PHE HB2 . 17526 1 452 . 1 1 48 48 PHE HB3 H 1 3.191 0.083 . 2 . . . . 48 PHE HB3 . 17526 1 453 . 1 1 48 48 PHE HD1 H 1 7.172 0.000 . 3 . . . . 48 PHE HD1 . 17526 1 454 . 1 1 48 48 PHE HD2 H 1 7.172 0.000 . 3 . . . . 48 PHE HD2 . 17526 1 455 . 1 1 48 48 PHE HE1 H 1 6.734 0.000 . 3 . . . . 48 PHE HE1 . 17526 1 456 . 1 1 48 48 PHE HE2 H 1 6.734 0.000 . 3 . . . . 48 PHE HE2 . 17526 1 457 . 1 1 48 48 PHE HZ H 1 7.137 0.000 . 1 . . . . 48 PHE HZ . 17526 1 458 . 1 1 48 48 PHE CA C 13 60.979 0.030 . 1 . . . . 48 PHE CA . 17526 1 459 . 1 1 48 48 PHE CB C 13 38.502 0.000 . 1 . . . . 48 PHE CB . 17526 1 460 . 1 1 48 48 PHE CD1 C 13 131.892 0.000 . 3 . . . . 48 PHE CD1 . 17526 1 461 . 1 1 48 48 PHE CD2 C 13 131.892 0.000 . 3 . . . . 48 PHE CD2 . 17526 1 462 . 1 1 48 48 PHE CE1 C 13 129.909 0.000 . 3 . . . . 48 PHE CE1 . 17526 1 463 . 1 1 48 48 PHE CE2 C 13 129.909 0.000 . 3 . . . . 48 PHE CE2 . 17526 1 464 . 1 1 48 48 PHE CZ C 13 131.138 0.000 . 1 . . . . 48 PHE CZ . 17526 1 465 . 1 1 48 48 PHE N N 15 117.561 0.022 . 1 . . . . 48 PHE N . 17526 1 466 . 1 1 49 49 ARG H H 1 8.336 0.009 . 1 . . . . 49 ARG H . 17526 1 467 . 1 1 49 49 ARG HA H 1 4.578 0.001 . 1 . . . . 49 ARG HA . 17526 1 468 . 1 1 49 49 ARG HB2 H 1 1.490 0.000 . 2 . . . . 49 ARG HB2 . 17526 1 469 . 1 1 49 49 ARG HB3 H 1 1.833 0.000 . 2 . . . . 49 ARG HB3 . 17526 1 470 . 1 1 49 49 ARG HD2 H 1 3.103 0.000 . 1 . . . . 49 ARG HD2 . 17526 1 471 . 1 1 49 49 ARG HD3 H 1 3.103 0.000 . 1 . . . . 49 ARG HD3 . 17526 1 472 . 1 1 49 49 ARG CA C 13 59.959 0.031 . 1 . . . . 49 ARG CA . 17526 1 473 . 1 1 49 49 ARG CB C 13 30.049 0.065 . 1 . . . . 49 ARG CB . 17526 1 474 . 1 1 49 49 ARG CG C 13 28.101 0.000 . 1 . . . . 49 ARG CG . 17526 1 475 . 1 1 49 49 ARG CD C 13 43.565 0.000 . 1 . . . . 49 ARG CD . 17526 1 476 . 1 1 49 49 ARG N N 15 117.181 0.058 . 1 . . . . 49 ARG N . 17526 1 477 . 1 1 50 50 GLU H H 1 7.892 0.013 . 1 . . . . 50 GLU H . 17526 1 478 . 1 1 50 50 GLU HA H 1 3.746 0.000 . 1 . . . . 50 GLU HA . 17526 1 479 . 1 1 50 50 GLU HB2 H 1 1.986 0.000 . 1 . . . . 50 GLU HB2 . 17526 1 480 . 1 1 50 50 GLU HG2 H 1 2.394 0.000 . 2 . . . . 50 GLU HG2 . 17526 1 481 . 1 1 50 50 GLU HG3 H 1 2.011 0.000 . 2 . . . . 50 GLU HG3 . 17526 1 482 . 1 1 50 50 GLU CA C 13 58.918 0.028 . 1 . . . . 50 GLU CA . 17526 1 483 . 1 1 50 50 GLU CB C 13 28.604 0.064 . 1 . . . . 50 GLU CB . 17526 1 484 . 1 1 50 50 GLU CG C 13 36.029 0.000 . 1 . . . . 50 GLU CG . 17526 1 485 . 1 1 50 50 GLU N N 15 119.954 0.011 . 1 . . . . 50 GLU N . 17526 1 486 . 1 1 51 51 LEU H H 1 8.198 0.010 . 1 . . . . 51 LEU H . 17526 1 487 . 1 1 51 51 LEU HA H 1 3.249 0.003 . 1 . . . . 51 LEU HA . 17526 1 488 . 1 1 51 51 LEU HB2 H 1 1.202 0.006 . 2 . . . . 51 LEU HB2 . 17526 1 489 . 1 1 51 51 LEU HB3 H 1 0.704 0.017 . 2 . . . . 51 LEU HB3 . 17526 1 490 . 1 1 51 51 LEU HG H 1 1.599 0.000 . 1 . . . . 51 LEU HG . 17526 1 491 . 1 1 51 51 LEU HD11 H 1 0.646 0.003 . 1 . . . . 51 LEU HD11 . 17526 1 492 . 1 1 51 51 LEU HD12 H 1 0.646 0.003 . 1 . . . . 51 LEU HD12 . 17526 1 493 . 1 1 51 51 LEU HD13 H 1 0.646 0.003 . 1 . . . . 51 LEU HD13 . 17526 1 494 . 1 1 51 51 LEU HD21 H 1 0.643 0.000 . 1 . . . . 51 LEU HD21 . 17526 1 495 . 1 1 51 51 LEU HD22 H 1 0.643 0.000 . 1 . . . . 51 LEU HD22 . 17526 1 496 . 1 1 51 51 LEU HD23 H 1 0.643 0.000 . 1 . . . . 51 LEU HD23 . 17526 1 497 . 1 1 51 51 LEU CA C 13 57.167 0.047 . 1 . . . . 51 LEU CA . 17526 1 498 . 1 1 51 51 LEU CB C 13 42.760 0.066 . 1 . . . . 51 LEU CB . 17526 1 499 . 1 1 51 51 LEU N N 15 120.166 0.014 . 1 . . . . 51 LEU N . 17526 1 500 . 1 1 52 52 LEU H H 1 7.521 0.012 . 1 . . . . 52 LEU H . 17526 1 501 . 1 1 52 52 LEU HA H 1 3.295 0.000 . 1 . . . . 52 LEU HA . 17526 1 502 . 1 1 52 52 LEU HG H 1 0.956 0.000 . 1 . . . . 52 LEU HG . 17526 1 503 . 1 1 52 52 LEU HD11 H 1 0.238 0.020 . 2 . . . . 52 LEU HD11 . 17526 1 504 . 1 1 52 52 LEU HD12 H 1 0.238 0.020 . 2 . . . . 52 LEU HD12 . 17526 1 505 . 1 1 52 52 LEU HD13 H 1 0.238 0.020 . 2 . . . . 52 LEU HD13 . 17526 1 506 . 1 1 52 52 LEU HD21 H 1 0.970 0.000 . 2 . . . . 52 LEU HD21 . 17526 1 507 . 1 1 52 52 LEU HD22 H 1 0.970 0.000 . 2 . . . . 52 LEU HD22 . 17526 1 508 . 1 1 52 52 LEU HD23 H 1 0.970 0.000 . 2 . . . . 52 LEU HD23 . 17526 1 509 . 1 1 52 52 LEU CA C 13 58.190 0.034 . 1 . . . . 52 LEU CA . 17526 1 510 . 1 1 52 52 LEU CB C 13 41.046 0.052 . 1 . . . . 52 LEU CB . 17526 1 511 . 1 1 52 52 LEU CG C 13 26.502 0.000 . 1 . . . . 52 LEU CG . 17526 1 512 . 1 1 52 52 LEU CD1 C 13 22.673 0.135 . 2 . . . . 52 LEU CD1 . 17526 1 513 . 1 1 52 52 LEU CD2 C 13 23.783 0.000 . 1 . . . . 52 LEU CD2 . 17526 1 514 . 1 1 52 52 LEU N N 15 116.970 0.016 . 1 . . . . 52 LEU N . 17526 1 515 . 1 1 53 53 ALA H H 1 7.225 0.015 . 1 . . . . 53 ALA H . 17526 1 516 . 1 1 53 53 ALA HA H 1 3.634 0.000 . 1 . . . . 53 ALA HA . 17526 1 517 . 1 1 53 53 ALA HB1 H 1 1.164 0.000 . 1 . . . . 53 ALA HB1 . 17526 1 518 . 1 1 53 53 ALA HB2 H 1 1.164 0.000 . 1 . . . . 53 ALA HB2 . 17526 1 519 . 1 1 53 53 ALA HB3 H 1 1.164 0.000 . 1 . . . . 53 ALA HB3 . 17526 1 520 . 1 1 53 53 ALA CA C 13 54.281 0.053 . 1 . . . . 53 ALA CA . 17526 1 521 . 1 1 53 53 ALA CB C 13 17.918 0.080 . 1 . . . . 53 ALA CB . 17526 1 522 . 1 1 53 53 ALA N N 15 116.899 0.024 . 1 . . . . 53 ALA N . 17526 1 523 . 1 1 54 54 GLY H H 1 8.171 0.013 . 1 . . . . 54 GLY H . 17526 1 524 . 1 1 54 54 GLY HA2 H 1 2.932 0.000 . 2 . . . . 54 GLY HA2 . 17526 1 525 . 1 1 54 54 GLY HA3 H 1 3.303 0.000 . 2 . . . . 54 GLY HA3 . 17526 1 526 . 1 1 54 54 GLY CA C 13 46.613 0.043 . 1 . . . . 54 GLY CA . 17526 1 527 . 1 1 54 54 GLY N N 15 108.462 0.018 . 1 . . . . 54 GLY N . 17526 1 528 . 1 1 55 55 VAL H H 1 7.870 0.018 . 1 . . . . 55 VAL H . 17526 1 529 . 1 1 55 55 VAL HG11 H 1 1.406 0.000 . 2 . . . . 55 VAL HG11 . 17526 1 530 . 1 1 55 55 VAL HG12 H 1 1.406 0.000 . 2 . . . . 55 VAL HG12 . 17526 1 531 . 1 1 55 55 VAL HG13 H 1 1.406 0.000 . 2 . . . . 55 VAL HG13 . 17526 1 532 . 1 1 55 55 VAL HG21 H 1 1.608 0.000 . 2 . . . . 55 VAL HG21 . 17526 1 533 . 1 1 55 55 VAL HG22 H 1 1.608 0.000 . 2 . . . . 55 VAL HG22 . 17526 1 534 . 1 1 55 55 VAL HG23 H 1 1.608 0.000 . 2 . . . . 55 VAL HG23 . 17526 1 535 . 1 1 55 55 VAL CA C 13 65.700 0.038 . 1 . . . . 55 VAL CA . 17526 1 536 . 1 1 55 55 VAL CB C 13 30.976 0.072 . 1 . . . . 55 VAL CB . 17526 1 537 . 1 1 55 55 VAL CG1 C 13 22.155 0.000 . 2 . . . . 55 VAL CG1 . 17526 1 538 . 1 1 55 55 VAL CG2 C 13 23.312 0.000 . 2 . . . . 55 VAL CG2 . 17526 1 539 . 1 1 55 55 VAL N N 15 119.944 0.031 . 1 . . . . 55 VAL N . 17526 1 540 . 1 1 56 56 ALA H H 1 7.677 0.013 . 1 . . . . 56 ALA H . 17526 1 541 . 1 1 56 56 ALA HA H 1 3.697 0.000 . 1 . . . . 56 ALA HA . 17526 1 542 . 1 1 56 56 ALA HB1 H 1 0.597 0.000 . 1 . . . . 56 ALA HB1 . 17526 1 543 . 1 1 56 56 ALA HB2 H 1 0.597 0.000 . 1 . . . . 56 ALA HB2 . 17526 1 544 . 1 1 56 56 ALA HB3 H 1 0.597 0.000 . 1 . . . . 56 ALA HB3 . 17526 1 545 . 1 1 56 56 ALA CA C 13 54.944 0.030 . 1 . . . . 56 ALA CA . 17526 1 546 . 1 1 56 56 ALA CB C 13 15.765 3.511 . 1 . . . . 56 ALA CB . 17526 1 547 . 1 1 56 56 ALA N N 15 118.407 0.018 . 1 . . . . 56 ALA N . 17526 1 548 . 1 1 57 57 THR H H 1 7.580 0.011 . 1 . . . . 57 THR H . 17526 1 549 . 1 1 57 57 THR HA H 1 4.354 0.025 . 1 . . . . 57 THR HA . 17526 1 550 . 1 1 57 57 THR HB H 1 4.206 0.041 . 1 . . . . 57 THR HB . 17526 1 551 . 1 1 57 57 THR HG21 H 1 1.208 0.008 . 1 . . . . 57 THR HG21 . 17526 1 552 . 1 1 57 57 THR HG22 H 1 1.208 0.008 . 1 . . . . 57 THR HG22 . 17526 1 553 . 1 1 57 57 THR HG23 H 1 1.208 0.008 . 1 . . . . 57 THR HG23 . 17526 1 554 . 1 1 57 57 THR CA C 13 62.839 0.132 . 1 . . . . 57 THR CA . 17526 1 555 . 1 1 57 57 THR CB C 13 69.617 0.015 . 1 . . . . 57 THR CB . 17526 1 556 . 1 1 57 57 THR CG2 C 13 21.097 0.117 . 1 . . . . 57 THR CG2 . 17526 1 557 . 1 1 57 57 THR N N 15 106.209 0.023 . 1 . . . . 57 THR N . 17526 1 558 . 1 1 58 58 ASN H H 1 7.395 0.014 . 1 . . . . 58 ASN H . 17526 1 559 . 1 1 58 58 ASN HA H 1 5.470 0.003 . 1 . . . . 58 ASN HA . 17526 1 560 . 1 1 58 58 ASN HB2 H 1 2.811 0.000 . 2 . . . . 58 ASN HB2 . 17526 1 561 . 1 1 58 58 ASN HB3 H 1 3.169 0.000 . 2 . . . . 58 ASN HB3 . 17526 1 562 . 1 1 58 58 ASN HD21 H 1 7.178 0.000 . 1 . . . . 58 ASN HD21 . 17526 1 563 . 1 1 58 58 ASN HD22 H 1 8.781 0.000 . 1 . . . . 58 ASN HD22 . 17526 1 564 . 1 1 58 58 ASN CA C 13 53.136 0.069 . 1 . . . . 58 ASN CA . 17526 1 565 . 1 1 58 58 ASN CB C 13 40.161 0.044 . 1 . . . . 58 ASN CB . 17526 1 566 . 1 1 58 58 ASN N N 15 118.392 0.013 . 1 . . . . 58 ASN N . 17526 1 567 . 1 1 58 58 ASN ND2 N 15 117.216 0.034 . 1 . . . . 58 ASN ND2 . 17526 1 568 . 1 1 59 59 THR H H 1 7.711 0.012 . 1 . . . . 59 THR H . 17526 1 569 . 1 1 59 59 THR HA H 1 3.651 0.002 . 1 . . . . 59 THR HA . 17526 1 570 . 1 1 59 59 THR HB H 1 4.115 0.001 . 1 . . . . 59 THR HB . 17526 1 571 . 1 1 59 59 THR HG21 H 1 1.453 0.000 . 1 . . . . 59 THR HG21 . 17526 1 572 . 1 1 59 59 THR HG22 H 1 1.453 0.000 . 1 . . . . 59 THR HG22 . 17526 1 573 . 1 1 59 59 THR HG23 H 1 1.453 0.000 . 1 . . . . 59 THR HG23 . 17526 1 574 . 1 1 59 59 THR CA C 13 67.971 0.000 . 1 . . . . 59 THR CA . 17526 1 575 . 1 1 59 59 THR CB C 13 68.297 0.077 . 1 . . . . 59 THR CB . 17526 1 576 . 1 1 59 59 THR CG2 C 13 23.717 0.000 . 1 . . . . 59 THR CG2 . 17526 1 577 . 1 1 59 59 THR N N 15 113.633 0.018 . 1 . . . . 59 THR N . 17526 1 578 . 1 1 60 60 ALA H H 1 8.391 0.009 . 1 . . . . 60 ALA H . 17526 1 579 . 1 1 60 60 ALA HA H 1 4.191 0.011 . 1 . . . . 60 ALA HA . 17526 1 580 . 1 1 60 60 ALA HB1 H 1 1.440 0.000 . 1 . . . . 60 ALA HB1 . 17526 1 581 . 1 1 60 60 ALA HB2 H 1 1.440 0.000 . 1 . . . . 60 ALA HB2 . 17526 1 582 . 1 1 60 60 ALA HB3 H 1 1.440 0.000 . 1 . . . . 60 ALA HB3 . 17526 1 583 . 1 1 60 60 ALA CA C 13 55.364 0.049 . 1 . . . . 60 ALA CA . 17526 1 584 . 1 1 60 60 ALA CB C 13 17.465 0.073 . 1 . . . . 60 ALA CB . 17526 1 585 . 1 1 60 60 ALA N N 15 121.788 0.004 . 1 . . . . 60 ALA N . 17526 1 586 . 1 1 61 61 TYR H H 1 8.119 0.008 . 1 . . . . 61 TYR H . 17526 1 587 . 1 1 61 61 TYR HA H 1 3.294 0.000 . 1 . . . . 61 TYR HA . 17526 1 588 . 1 1 61 61 TYR HD1 H 1 6.986 0.000 . 3 . . . . 61 TYR HD1 . 17526 1 589 . 1 1 61 61 TYR HD2 H 1 6.986 0.000 . 3 . . . . 61 TYR HD2 . 17526 1 590 . 1 1 61 61 TYR HE1 H 1 6.781 0.000 . 3 . . . . 61 TYR HE1 . 17526 1 591 . 1 1 61 61 TYR HE2 H 1 6.781 0.000 . 3 . . . . 61 TYR HE2 . 17526 1 592 . 1 1 61 61 TYR CA C 13 60.034 0.036 . 1 . . . . 61 TYR CA . 17526 1 593 . 1 1 61 61 TYR CB C 13 38.465 0.088 . 1 . . . . 61 TYR CB . 17526 1 594 . 1 1 61 61 TYR CD1 C 13 132.720 0.000 . 3 . . . . 61 TYR CD1 . 17526 1 595 . 1 1 61 61 TYR CD2 C 13 132.720 0.000 . 3 . . . . 61 TYR CD2 . 17526 1 596 . 1 1 61 61 TYR CE1 C 13 118.150 0.000 . 3 . . . . 61 TYR CE1 . 17526 1 597 . 1 1 61 61 TYR CE2 C 13 118.150 0.000 . 3 . . . . 61 TYR CE2 . 17526 1 598 . 1 1 61 61 TYR N N 15 120.845 0.051 . 1 . . . . 61 TYR N . 17526 1 599 . 1 1 62 62 LEU H H 1 8.263 0.012 . 1 . . . . 62 LEU H . 17526 1 600 . 1 1 62 62 LEU HA H 1 3.708 0.000 . 1 . . . . 62 LEU HA . 17526 1 601 . 1 1 62 62 LEU HB2 H 1 1.935 0.000 . 1 . . . . 62 LEU HB2 . 17526 1 602 . 1 1 62 62 LEU HB3 H 1 1.935 0.000 . 1 . . . . 62 LEU HB3 . 17526 1 603 . 1 1 62 62 LEU HG H 1 1.920 0.000 . 1 . . . . 62 LEU HG . 17526 1 604 . 1 1 62 62 LEU HD11 H 1 0.893 0.000 . 2 . . . . 62 LEU HD11 . 17526 1 605 . 1 1 62 62 LEU HD12 H 1 0.893 0.000 . 2 . . . . 62 LEU HD12 . 17526 1 606 . 1 1 62 62 LEU HD13 H 1 0.893 0.000 . 2 . . . . 62 LEU HD13 . 17526 1 607 . 1 1 62 62 LEU HD21 H 1 1.134 0.000 . 2 . . . . 62 LEU HD21 . 17526 1 608 . 1 1 62 62 LEU HD22 H 1 1.134 0.000 . 2 . . . . 62 LEU HD22 . 17526 1 609 . 1 1 62 62 LEU HD23 H 1 1.134 0.000 . 2 . . . . 62 LEU HD23 . 17526 1 610 . 1 1 62 62 LEU CA C 13 57.516 0.040 . 1 . . . . 62 LEU CA . 17526 1 611 . 1 1 62 62 LEU CB C 13 41.409 0.036 . 1 . . . . 62 LEU CB . 17526 1 612 . 1 1 62 62 LEU CG C 13 26.243 0.000 . 1 . . . . 62 LEU CG . 17526 1 613 . 1 1 62 62 LEU CD1 C 13 27.810 0.000 . 2 . . . . 62 LEU CD1 . 17526 1 614 . 1 1 62 62 LEU CD2 C 13 20.655 0.000 . 2 . . . . 62 LEU CD2 . 17526 1 615 . 1 1 62 62 LEU N N 15 118.982 0.036 . 1 . . . . 62 LEU N . 17526 1 616 . 1 1 63 63 ASP H H 1 8.787 0.012 . 1 . . . . 63 ASP H . 17526 1 617 . 1 1 63 63 ASP HA H 1 4.258 0.000 . 1 . . . . 63 ASP HA . 17526 1 618 . 1 1 63 63 ASP HB2 H 1 2.436 0.003 . 2 . . . . 63 ASP HB2 . 17526 1 619 . 1 1 63 63 ASP HB3 H 1 2.656 0.000 . 2 . . . . 63 ASP HB3 . 17526 1 620 . 1 1 63 63 ASP CA C 13 56.869 0.081 . 1 . . . . 63 ASP CA . 17526 1 621 . 1 1 63 63 ASP CB C 13 39.157 0.091 . 1 . . . . 63 ASP CB . 17526 1 622 . 1 1 63 63 ASP N N 15 119.939 0.018 . 1 . . . . 63 ASP N . 17526 1 623 . 1 1 64 64 GLY H H 1 7.913 0.011 . 1 . . . . 64 GLY H . 17526 1 624 . 1 1 64 64 GLY HA2 H 1 3.719 0.000 . 2 . . . . 64 GLY HA2 . 17526 1 625 . 1 1 64 64 GLY HA3 H 1 3.908 0.000 . 2 . . . . 64 GLY HA3 . 17526 1 626 . 1 1 64 64 GLY CA C 13 46.536 0.046 . 1 . . . . 64 GLY CA . 17526 1 627 . 1 1 64 64 GLY N N 15 106.129 0.014 . 1 . . . . 64 GLY N . 17526 1 628 . 1 1 65 65 LEU H H 1 7.507 0.011 . 1 . . . . 65 LEU H . 17526 1 629 . 1 1 65 65 LEU HA H 1 4.092 0.000 . 1 . . . . 65 LEU HA . 17526 1 630 . 1 1 65 65 LEU HB2 H 1 2.152 0.000 . 2 . . . . 65 LEU HB2 . 17526 1 631 . 1 1 65 65 LEU HB3 H 1 1.225 0.000 . 2 . . . . 65 LEU HB3 . 17526 1 632 . 1 1 65 65 LEU HG H 1 1.936 0.000 . 1 . . . . 65 LEU HG . 17526 1 633 . 1 1 65 65 LEU HD11 H 1 0.635 0.000 . 1 . . . . 65 LEU HD11 . 17526 1 634 . 1 1 65 65 LEU HD12 H 1 0.635 0.000 . 1 . . . . 65 LEU HD12 . 17526 1 635 . 1 1 65 65 LEU HD13 H 1 0.635 0.000 . 1 . . . . 65 LEU HD13 . 17526 1 636 . 1 1 65 65 LEU HD21 H 1 0.636 0.002 . 1 . . . . 65 LEU HD21 . 17526 1 637 . 1 1 65 65 LEU HD22 H 1 0.636 0.002 . 1 . . . . 65 LEU HD22 . 17526 1 638 . 1 1 65 65 LEU HD23 H 1 0.636 0.002 . 1 . . . . 65 LEU HD23 . 17526 1 639 . 1 1 65 65 LEU CA C 13 56.465 0.040 . 1 . . . . 65 LEU CA . 17526 1 640 . 1 1 65 65 LEU CB C 13 42.750 0.039 . 1 . . . . 65 LEU CB . 17526 1 641 . 1 1 65 65 LEU CD1 C 13 25.361 0.000 . 2 . . . . 65 LEU CD1 . 17526 1 642 . 1 1 65 65 LEU CD2 C 13 21.312 0.000 . 2 . . . . 65 LEU CD2 . 17526 1 643 . 1 1 65 65 LEU N N 15 119.426 0.015 . 1 . . . . 65 LEU N . 17526 1 644 . 1 1 66 66 MET H H 1 7.139 0.012 . 1 . . . . 66 MET H . 17526 1 645 . 1 1 66 66 MET HA H 1 4.691 0.000 . 1 . . . . 66 MET HA . 17526 1 646 . 1 1 66 66 MET HB2 H 1 1.872 0.000 . 1 . . . . 66 MET HB2 . 17526 1 647 . 1 1 66 66 MET HB3 H 1 1.872 0.000 . 1 . . . . 66 MET HB3 . 17526 1 648 . 1 1 66 66 MET HG2 H 1 2.650 0.000 . 1 . . . . 66 MET HG2 . 17526 1 649 . 1 1 66 66 MET HG3 H 1 2.650 0.000 . 1 . . . . 66 MET HG3 . 17526 1 650 . 1 1 66 66 MET CA C 13 55.645 0.165 . 1 . . . . 66 MET CA . 17526 1 651 . 1 1 66 66 MET CB C 13 33.805 0.051 . 1 . . . . 66 MET CB . 17526 1 652 . 1 1 66 66 MET CG C 13 30.693 0.000 . 1 . . . . 66 MET CG . 17526 1 653 . 1 1 66 66 MET N N 15 108.360 0.027 . 1 . . . . 66 MET N . 17526 1 654 . 1 1 67 67 LYS H H 1 7.855 0.011 . 1 . . . . 67 LYS H . 17526 1 655 . 1 1 67 67 LYS CA C 13 61.716 0.000 . 1 . . . . 67 LYS CA . 17526 1 656 . 1 1 67 67 LYS CB C 13 30.702 0.000 . 1 . . . . 67 LYS CG . 17526 1 657 . 1 1 67 67 LYS N N 15 122.555 0.011 . 1 . . . . 67 LYS N . 17526 1 658 . 1 1 68 68 PRO HA H 1 4.194 0.002 . 1 . . . . 68 PRO HA . 17526 1 659 . 1 1 68 68 PRO CA C 13 64.614 0.001 . 1 . . . . 68 PRO CA . 17526 1 660 . 1 1 68 68 PRO CB C 13 30.443 0.000 . 1 . . . . 68 PRO CB . 17526 1 661 . 1 1 68 68 PRO CD C 13 50.574 0.000 . 1 . . . . 68 PRO CD . 17526 1 662 . 1 1 68 68 PRO N N 15 122.486 0.000 . 1 . . . . 68 PRO N . 17526 1 663 . 1 1 69 69 TYR H H 1 7.512 0.011 . 1 . . . . 69 TYR H . 17526 1 664 . 1 1 69 69 TYR HA H 1 4.719 0.000 . 1 . . . . 69 TYR HA . 17526 1 665 . 1 1 69 69 TYR HB2 H 1 2.481 0.000 . 2 . . . . 69 TYR HB2 . 17526 1 666 . 1 1 69 69 TYR HB3 H 1 3.579 0.002 . 2 . . . . 69 TYR HB3 . 17526 1 667 . 1 1 69 69 TYR HD1 H 1 7.022 0.000 . 3 . . . . 69 TYR HD1 . 17526 1 668 . 1 1 69 69 TYR HD2 H 1 7.022 0.000 . 3 . . . . 69 TYR HD2 . 17526 1 669 . 1 1 69 69 TYR HE1 H 1 6.822 0.000 . 3 . . . . 69 TYR HE1 . 17526 1 670 . 1 1 69 69 TYR HE2 H 1 6.822 0.000 . 3 . . . . 69 TYR HE2 . 17526 1 671 . 1 1 69 69 TYR CA C 13 56.394 0.126 . 1 . . . . 69 TYR CA . 17526 1 672 . 1 1 69 69 TYR CB C 13 39.216 0.047 . 1 . . . . 69 TYR CB . 17526 1 673 . 1 1 69 69 TYR CD1 C 13 132.611 0.000 . 3 . . . . 69 TYR CD1 . 17526 1 674 . 1 1 69 69 TYR CD2 C 13 132.611 0.000 . 3 . . . . 69 TYR CD2 . 17526 1 675 . 1 1 69 69 TYR CE1 C 13 117.954 0.000 . 3 . . . . 69 TYR CE1 . 17526 1 676 . 1 1 69 69 TYR CE2 C 13 117.954 0.000 . 3 . . . . 69 TYR CE2 . 17526 1 677 . 1 1 69 69 TYR N N 15 113.294 0.015 . 1 . . . . 69 TYR N . 17526 1 678 . 1 1 70 70 LEU H H 1 7.177 0.011 . 1 . . . . 70 LEU H . 17526 1 679 . 1 1 70 70 LEU HA H 1 4.556 0.000 . 1 . . . . 70 LEU HA . 17526 1 680 . 1 1 70 70 LEU HG H 1 2.023 0.000 . 1 . . . . 70 LEU HG . 17526 1 681 . 1 1 70 70 LEU HD11 H 1 1.013 0.000 . 1 . . . . 70 LEU HD11 . 17526 1 682 . 1 1 70 70 LEU HD12 H 1 1.013 0.000 . 1 . . . . 70 LEU HD12 . 17526 1 683 . 1 1 70 70 LEU HD13 H 1 1.013 0.000 . 1 . . . . 70 LEU HD13 . 17526 1 684 . 1 1 70 70 LEU HD21 H 1 1.013 0.000 . 1 . . . . 70 LEU HD21 . 17526 1 685 . 1 1 70 70 LEU HD22 H 1 1.013 0.000 . 1 . . . . 70 LEU HD22 . 17526 1 686 . 1 1 70 70 LEU HD23 H 1 1.013 0.000 . 1 . . . . 70 LEU HD23 . 17526 1 687 . 1 1 70 70 LEU CA C 13 55.023 0.000 . 1 . . . . 70 LEU CA . 17526 1 688 . 1 1 70 70 LEU CB C 13 44.399 0.107 . 1 . . . . 70 LEU CB . 17526 1 689 . 1 1 70 70 LEU CD1 C 13 24.329 0.000 . 2 . . . . 70 LEU CD1 . 17526 1 690 . 1 1 70 70 LEU CD2 C 13 25.906 0.000 . 2 . . . . 70 LEU CD2 . 17526 1 691 . 1 1 70 70 LEU N N 15 119.392 0.028 . 1 . . . . 70 LEU N . 17526 1 692 . 1 1 71 71 SER H H 1 8.195 0.011 . 1 . . . . 71 SER H . 17526 1 693 . 1 1 71 71 SER HA H 1 4.442 0.000 . 1 . . . . 71 SER HA . 17526 1 694 . 1 1 71 71 SER HB2 H 1 4.126 0.023 . 1 . . . . 71 SER HB2 . 17526 1 695 . 1 1 71 71 SER CA C 13 58.096 0.000 . 1 . . . . 71 SER CA . 17526 1 696 . 1 1 71 71 SER N N 15 116.119 0.101 . 1 . . . . 71 SER N . 17526 1 697 . 1 1 72 72 ARG H H 1 7.264 0.012 . 1 . . . . 72 ARG H . 17526 1 698 . 1 1 72 72 ARG HA H 1 4.609 0.000 . 1 . . . . 72 ARG HA . 17526 1 699 . 1 1 72 72 ARG HD2 H 1 2.520 0.000 . 2 . . . . 72 ARG HD2 . 17526 1 700 . 1 1 72 72 ARG HD3 H 1 2.733 0.011 . 2 . . . . 72 ARG HD3 . 17526 1 701 . 1 1 72 72 ARG CA C 13 53.499 0.133 . 1 . . . . 72 ARG CA . 17526 1 702 . 1 1 72 72 ARG CB C 13 32.405 0.108 . 1 . . . . 72 ARG CB . 17526 1 703 . 1 1 72 72 ARG CG C 13 25.100 0.000 . 1 . . . . 72 ARG CG . 17526 1 704 . 1 1 72 72 ARG CD C 13 43.089 0.038 . 1 . . . . 72 ARG CD . 17526 1 705 . 1 1 72 72 ARG N N 15 118.320 0.030 . 1 . . . . 72 ARG N . 17526 1 706 . 1 1 73 73 LEU H H 1 8.287 0.008 . 1 . . . . 73 LEU H . 17526 1 707 . 1 1 73 73 LEU HA H 1 4.226 0.000 . 1 . . . . 73 LEU HA . 17526 1 708 . 1 1 73 73 LEU HB2 H 1 1.359 0.000 . 2 . . . . 73 LEU HB2 . 17526 1 709 . 1 1 73 73 LEU HB3 H 1 1.674 0.000 . 2 . . . . 73 LEU HB3 . 17526 1 710 . 1 1 73 73 LEU HG H 1 1.235 0.000 . 1 . . . . 73 LEU HG . 17526 1 711 . 1 1 73 73 LEU HD11 H 1 0.857 0.000 . 1 . . . . 73 LEU HD11 . 17526 1 712 . 1 1 73 73 LEU HD12 H 1 0.857 0.000 . 1 . . . . 73 LEU HD12 . 17526 1 713 . 1 1 73 73 LEU HD13 H 1 0.857 0.000 . 1 . . . . 73 LEU HD13 . 17526 1 714 . 1 1 73 73 LEU HD21 H 1 0.857 0.000 . 1 . . . . 73 LEU HD21 . 17526 1 715 . 1 1 73 73 LEU HD22 H 1 0.857 0.000 . 1 . . . . 73 LEU HD22 . 17526 1 716 . 1 1 73 73 LEU HD23 H 1 0.857 0.000 . 1 . . . . 73 LEU HD23 . 17526 1 717 . 1 1 73 73 LEU CA C 13 54.739 0.055 . 1 . . . . 73 LEU CA . 17526 1 718 . 1 1 73 73 LEU CB C 13 41.915 0.031 . 1 . . . . 73 LEU CB . 17526 1 719 . 1 1 73 73 LEU CD1 C 13 22.191 0.000 . 2 . . . . 73 LEU CD1 . 17526 1 720 . 1 1 73 73 LEU CD2 C 13 25.221 0.000 . 2 . . . . 73 LEU CD2 . 17526 1 721 . 1 1 73 73 LEU N N 15 118.631 0.018 . 1 . . . . 73 LEU N . 17526 1 722 . 1 1 74 74 LEU H H 1 9.027 0.017 . 1 . . . . 74 LEU H . 17526 1 723 . 1 1 74 74 LEU HA H 1 3.796 0.000 . 1 . . . . 74 LEU HA . 17526 1 724 . 1 1 74 74 LEU HB2 H 1 1.592 0.000 . 1 . . . . 74 LEU HB2 . 17526 1 725 . 1 1 74 74 LEU HB3 H 1 1.592 0.000 . 1 . . . . 74 LEU HB3 . 17526 1 726 . 1 1 74 74 LEU HD11 H 1 0.878 0.002 . 1 . . . . 74 LEU HD11 . 17526 1 727 . 1 1 74 74 LEU HD12 H 1 0.878 0.002 . 1 . . . . 74 LEU HD12 . 17526 1 728 . 1 1 74 74 LEU HD13 H 1 0.878 0.002 . 1 . . . . 74 LEU HD13 . 17526 1 729 . 1 1 74 74 LEU HD21 H 1 0.878 0.002 . 1 . . . . 74 LEU HD21 . 17526 1 730 . 1 1 74 74 LEU HD22 H 1 0.878 0.002 . 1 . . . . 74 LEU HD22 . 17526 1 731 . 1 1 74 74 LEU HD23 H 1 0.878 0.002 . 1 . . . . 74 LEU HD23 . 17526 1 732 . 1 1 74 74 LEU CA C 13 58.279 0.087 . 1 . . . . 74 LEU CA . 17526 1 733 . 1 1 74 74 LEU CB C 13 42.040 0.091 . 1 . . . . 74 LEU CB . 17526 1 734 . 1 1 74 74 LEU CG C 13 27.033 0.000 . 1 . . . . 74 LEU CG . 17526 1 735 . 1 1 74 74 LEU CD1 C 13 24.743 0.006 . 1 . . . . 74 LEU CD1 . 17526 1 736 . 1 1 74 74 LEU CD2 C 13 24.743 0.006 . 1 . . . . 74 LEU CD2 . 17526 1 737 . 1 1 74 74 LEU N N 15 124.062 0.019 . 1 . . . . 74 LEU N . 17526 1 738 . 1 1 75 75 GLU H H 1 9.059 0.013 . 1 . . . . 75 GLU H . 17526 1 739 . 1 1 75 75 GLU HA H 1 4.056 0.000 . 1 . . . . 75 GLU HA . 17526 1 740 . 1 1 75 75 GLU HB2 H 1 2.010 0.000 . 1 . . . . 75 GLU HB2 . 17526 1 741 . 1 1 75 75 GLU HB3 H 1 2.010 0.000 . 1 . . . . 75 GLU HB3 . 17526 1 742 . 1 1 75 75 GLU HG2 H 1 2.224 0.000 . 1 . . . . 75 GLU HG2 . 17526 1 743 . 1 1 75 75 GLU HG3 H 1 2.224 0.000 . 1 . . . . 75 GLU HG3 . 17526 1 744 . 1 1 75 75 GLU CA C 13 58.344 0.000 . 1 . . . . 75 GLU CA . 17526 1 745 . 1 1 75 75 GLU CB C 13 28.711 0.054 . 1 . . . . 75 GLU CB . 17526 1 746 . 1 1 75 75 GLU CG C 13 36.300 0.000 . 1 . . . . 75 GLU CG . 17526 1 747 . 1 1 75 75 GLU N N 15 114.789 0.018 . 1 . . . . 75 GLU N . 17526 1 748 . 1 1 76 76 GLU H H 1 7.825 0.014 . 1 . . . . 76 GLU H . 17526 1 749 . 1 1 76 76 GLU HA H 1 4.234 0.000 . 1 . . . . 76 GLU HA . 17526 1 750 . 1 1 76 76 GLU HB2 H 1 2.077 0.000 . 1 . . . . 76 GLU HB2 . 17526 1 751 . 1 1 76 76 GLU HB3 H 1 2.077 0.000 . 1 . . . . 76 GLU HB3 . 17526 1 752 . 1 1 76 76 GLU HG2 H 1 2.126 0.000 . 1 . . . . 76 GLU HG2 . 17526 1 753 . 1 1 76 76 GLU HG3 H 1 2.126 0.000 . 1 . . . . 76 GLU HG3 . 17526 1 754 . 1 1 76 76 GLU CA C 13 55.246 0.033 . 1 . . . . 76 GLU CA . 17526 1 755 . 1 1 76 76 GLU CB C 13 30.180 0.000 . 1 . . . . 76 GLU CB . 17526 1 756 . 1 1 76 76 GLU CG C 13 36.591 0.000 . 1 . . . . 76 GLU CG . 17526 1 757 . 1 1 76 76 GLU N N 15 117.312 0.022 . 1 . . . . 76 GLU N . 17526 1 758 . 1 1 77 77 LEU H H 1 7.252 0.017 . 1 . . . . 77 LEU H . 17526 1 759 . 1 1 77 77 LEU HB2 H 1 1.628 0.007 . 2 . . . . 77 LEU HB2 . 17526 1 760 . 1 1 77 77 LEU HB3 H 1 2.028 0.000 . 2 . . . . 77 LEU HB3 . 17526 1 761 . 1 1 77 77 LEU HD11 H 1 0.796 0.000 . 2 . . . . 77 LEU HD11 . 17526 1 762 . 1 1 77 77 LEU HD12 H 1 0.796 0.000 . 2 . . . . 77 LEU HD12 . 17526 1 763 . 1 1 77 77 LEU HD13 H 1 0.796 0.000 . 2 . . . . 77 LEU HD13 . 17526 1 764 . 1 1 77 77 LEU HD21 H 1 0.861 0.000 . 2 . . . . 77 LEU HD21 . 17526 1 765 . 1 1 77 77 LEU HD22 H 1 0.861 0.000 . 2 . . . . 77 LEU HD22 . 17526 1 766 . 1 1 77 77 LEU HD23 H 1 0.861 0.000 . 2 . . . . 77 LEU HD23 . 17526 1 767 . 1 1 77 77 LEU CA C 13 54.978 0.037 . 1 . . . . 77 LEU CA . 17526 1 768 . 1 1 77 77 LEU CB C 13 42.941 0.070 . 1 . . . . 77 LEU CB . 17526 1 769 . 1 1 77 77 LEU CG C 13 24.904 0.000 . 1 . . . . 77 LEU CG . 17526 1 770 . 1 1 77 77 LEU CD1 C 13 26.287 0.000 . 1 . . . . 77 LEU CD1 . 17526 1 771 . 1 1 77 77 LEU CD2 C 13 26.287 0.000 . 1 . . . . 77 LEU CD2 . 17526 1 772 . 1 1 77 77 LEU N N 15 122.035 0.052 . 1 . . . . 77 LEU N . 17526 1 773 . 1 1 78 78 GLY H H 1 8.666 0.007 . 1 . . . . 78 GLY H . 17526 1 774 . 1 1 78 78 GLY HA2 H 1 3.987 0.010 . 2 . . . . 78 GLY HA2 . 17526 1 775 . 1 1 78 78 GLY HA3 H 1 4.230 0.004 . 2 . . . . 78 GLY HA3 . 17526 1 776 . 1 1 78 78 GLY CA C 13 45.179 0.070 . 1 . . . . 78 GLY CA . 17526 1 777 . 1 1 78 78 GLY N N 15 110.680 0.010 . 1 . . . . 78 GLY N . 17526 1 778 . 1 1 79 79 GLN H H 1 8.605 0.008 . 1 . . . . 79 GLN H . 17526 1 779 . 1 1 79 79 GLN HA H 1 3.945 0.000 . 1 . . . . 79 GLN HA . 17526 1 780 . 1 1 79 79 GLN HB2 H 1 2.031 0.000 . 1 . . . . 79 GLN HB2 . 17526 1 781 . 1 1 79 79 GLN HB3 H 1 2.214 0.000 . 1 . . . . 79 GLN HB3 . 17526 1 782 . 1 1 79 79 GLN HG2 H 1 2.656 0.000 . 2 . . . . 79 GLN HG2 . 17526 1 783 . 1 1 79 79 GLN HG3 H 1 2.381 0.000 . 2 . . . . 79 GLN HG3 . 17526 1 784 . 1 1 79 79 GLN HE21 H 1 6.663 0.000 . 1 . . . . 79 GLN HE21 . 17526 1 785 . 1 1 79 79 GLN HE22 H 1 7.092 0.000 . 1 . . . . 79 GLN HE22 . 17526 1 786 . 1 1 79 79 GLN CA C 13 58.617 0.041 . 1 . . . . 79 GLN CA . 17526 1 787 . 1 1 79 79 GLN CB C 13 28.246 0.046 . 1 . . . . 79 GLN CB . 17526 1 788 . 1 1 79 79 GLN CG C 13 31.748 0.000 . 1 . . . . 79 GLN CG . 17526 1 789 . 1 1 79 79 GLN N N 15 120.327 0.022 . 1 . . . . 79 GLN N . 17526 1 790 . 1 1 79 79 GLN NE2 N 15 107.368 0.016 . 1 . . . . 79 GLN NE2 . 17526 1 791 . 1 1 80 80 VAL H H 1 8.816 0.011 . 1 . . . . 80 VAL H . 17526 1 792 . 1 1 80 80 VAL HA H 1 3.449 0.006 . 1 . . . . 80 VAL HA . 17526 1 793 . 1 1 80 80 VAL HG11 H 1 0.971 0.000 . 1 . . . . 80 VAL HG11 . 17526 1 794 . 1 1 80 80 VAL HG12 H 1 0.971 0.000 . 1 . . . . 80 VAL HG12 . 17526 1 795 . 1 1 80 80 VAL HG13 H 1 0.971 0.000 . 1 . . . . 80 VAL HG13 . 17526 1 796 . 1 1 80 80 VAL HG21 H 1 0.971 0.000 . 1 . . . . 80 VAL HG21 . 17526 1 797 . 1 1 80 80 VAL HG22 H 1 0.971 0.000 . 1 . . . . 80 VAL HG22 . 17526 1 798 . 1 1 80 80 VAL HG23 H 1 0.971 0.000 . 1 . . . . 80 VAL HG23 . 17526 1 799 . 1 1 80 80 VAL CA C 13 67.214 0.056 . 1 . . . . 80 VAL CA . 17526 1 800 . 1 1 80 80 VAL CB C 13 31.055 0.088 . 1 . . . . 80 VAL CB . 17526 1 801 . 1 1 80 80 VAL N N 15 119.561 0.019 . 1 . . . . 80 VAL N . 17526 1 802 . 1 1 81 81 GLU H H 1 9.470 0.012 . 1 . . . . 81 GLU H . 17526 1 803 . 1 1 81 81 GLU HA H 1 3.467 0.021 . 1 . . . . 81 GLU HA . 17526 1 804 . 1 1 81 81 GLU CA C 13 62.975 0.108 . 1 . . . . 81 GLU CA . 17526 1 805 . 1 1 81 81 GLU CB C 13 27.899 0.000 . 1 . . . . 81 GLU CB . 17526 1 806 . 1 1 81 81 GLU CG C 13 31.862 0.000 . 1 . . . . 81 GLU CG . 17526 1 807 . 1 1 81 81 GLU N N 15 120.891 0.039 . 1 . . . . 81 GLU N . 17526 1 808 . 1 1 82 82 LYS H H 1 8.433 0.011 . 1 . . . . 82 LYS H . 17526 1 809 . 1 1 82 82 LYS HB2 H 1 1.659 0.000 . 2 . . . . 82 LYS HB2 . 17526 1 810 . 1 1 82 82 LYS HB3 H 1 1.932 0.000 . 2 . . . . 82 LYS HB3 . 17526 1 811 . 1 1 82 82 LYS HG2 H 1 1.294 0.000 . 1 . . . . 82 LYS HG2 . 17526 1 812 . 1 1 82 82 LYS HG3 H 1 1.294 0.000 . 1 . . . . 82 LYS HG3 . 17526 1 813 . 1 1 82 82 LYS HD2 H 1 1.695 0.000 . 1 . . . . 82 LYS HD2 . 17526 1 814 . 1 1 82 82 LYS HD3 H 1 1.695 0.000 . 1 . . . . 82 LYS HD3 . 17526 1 815 . 1 1 82 82 LYS CA C 13 60.674 0.071 . 1 . . . . 82 LYS CA . 17526 1 816 . 1 1 82 82 LYS CB C 13 32.381 0.038 . 1 . . . . 82 LYS CB . 17526 1 817 . 1 1 82 82 LYS CG C 13 25.537 0.960 . 1 . . . . 82 LYS CG . 17526 1 818 . 1 1 82 82 LYS CE C 13 41.084 0.000 . 1 . . . . 82 LYS CE . 17526 1 819 . 1 1 82 82 LYS N N 15 117.495 0.014 . 1 . . . . 82 LYS N . 17526 1 820 . 1 1 83 83 ALA H H 1 7.825 0.014 . 1 . . . . 83 ALA H . 17526 1 821 . 1 1 83 83 ALA HA H 1 4.061 0.000 . 1 . . . . 83 ALA HA . 17526 1 822 . 1 1 83 83 ALA HB1 H 1 1.579 0.000 . 1 . . . . 83 ALA HB1 . 17526 1 823 . 1 1 83 83 ALA HB2 H 1 1.579 0.000 . 1 . . . . 83 ALA HB2 . 17526 1 824 . 1 1 83 83 ALA HB3 H 1 1.579 0.000 . 1 . . . . 83 ALA HB3 . 17526 1 825 . 1 1 83 83 ALA CA C 13 56.045 0.060 . 1 . . . . 83 ALA CA . 17526 1 826 . 1 1 83 83 ALA CB C 13 18.307 0.101 . 1 . . . . 83 ALA CB . 17526 1 827 . 1 1 83 83 ALA N N 15 121.767 0.067 . 1 . . . . 83 ALA N . 17526 1 828 . 1 1 84 84 VAL H H 1 8.626 0.011 . 1 . . . . 84 VAL H . 17526 1 829 . 1 1 84 84 VAL HB H 1 2.105 0.000 . 1 . . . . 84 VAL HB . 17526 1 830 . 1 1 84 84 VAL HG11 H 1 1.080 0.000 . 1 . . . . 84 VAL HG11 . 17526 1 831 . 1 1 84 84 VAL HG12 H 1 1.080 0.000 . 1 . . . . 84 VAL HG12 . 17526 1 832 . 1 1 84 84 VAL HG13 H 1 1.080 0.000 . 1 . . . . 84 VAL HG13 . 17526 1 833 . 1 1 84 84 VAL HG21 H 1 1.080 0.000 . 1 . . . . 84 VAL HG21 . 17526 1 834 . 1 1 84 84 VAL HG22 H 1 1.080 0.000 . 1 . . . . 84 VAL HG22 . 17526 1 835 . 1 1 84 84 VAL HG23 H 1 1.080 0.000 . 1 . . . . 84 VAL HG23 . 17526 1 836 . 1 1 84 84 VAL CA C 13 66.645 0.032 . 1 . . . . 84 VAL CA . 17526 1 837 . 1 1 84 84 VAL CB C 13 32.048 0.003 . 1 . . . . 84 VAL CB . 17526 1 838 . 1 1 84 84 VAL CG1 C 13 23.474 0.000 . 1 . . . . 84 VAL CG1 . 17526 1 839 . 1 1 84 84 VAL CG2 C 13 23.474 0.000 . 1 . . . . 84 VAL CG2 . 17526 1 840 . 1 1 84 84 VAL N N 15 116.559 0.007 . 1 . . . . 84 VAL N . 17526 1 841 . 1 1 85 85 LEU H H 1 8.405 0.009 . 1 . . . . 85 LEU H . 17526 1 842 . 1 1 85 85 LEU HA H 1 3.837 0.000 . 1 . . . . 85 LEU HA . 17526 1 843 . 1 1 85 85 LEU HD11 H 1 0.918 0.000 . 1 . . . . 85 LEU HD11 . 17526 1 844 . 1 1 85 85 LEU HD12 H 1 0.918 0.000 . 1 . . . . 85 LEU HD12 . 17526 1 845 . 1 1 85 85 LEU HD13 H 1 0.918 0.000 . 1 . . . . 85 LEU HD13 . 17526 1 846 . 1 1 85 85 LEU HD21 H 1 0.920 0.001 . 1 . . . . 85 LEU HD21 . 17526 1 847 . 1 1 85 85 LEU HD22 H 1 0.920 0.001 . 1 . . . . 85 LEU HD22 . 17526 1 848 . 1 1 85 85 LEU HD23 H 1 0.920 0.001 . 1 . . . . 85 LEU HD23 . 17526 1 849 . 1 1 85 85 LEU CA C 13 58.596 0.047 . 1 . . . . 85 LEU CA . 17526 1 850 . 1 1 85 85 LEU CB C 13 41.581 0.000 . 1 . . . . 85 LEU CB . 17526 1 851 . 1 1 85 85 LEU CG C 13 25.499 0.000 . 1 . . . . 85 LEU CG . 17526 1 852 . 1 1 85 85 LEU CD1 C 13 24.668 0.000 . 2 . . . . 85 LEU CD1 . 17526 1 853 . 1 1 85 85 LEU CD2 C 13 24.079 0.038 . 2 . . . . 85 LEU CD2 . 17526 1 854 . 1 1 85 85 LEU N N 15 118.636 0.039 . 1 . . . . 85 LEU N . 17526 1 855 . 1 1 86 86 ARG H H 1 8.495 0.009 . 1 . . . . 86 ARG H . 17526 1 856 . 1 1 86 86 ARG CA C 13 61.217 0.035 . 1 . . . . 86 ARG CA . 17526 1 857 . 1 1 86 86 ARG CB C 13 30.607 0.050 . 1 . . . . 86 ARG CB . 17526 1 858 . 1 1 86 86 ARG CG C 13 25.532 0.000 . 1 . . . . 86 ARG CG . 17526 1 859 . 1 1 86 86 ARG CD C 13 40.801 0.000 . 1 . . . . 86 ARG CD . 17526 1 860 . 1 1 86 86 ARG N N 15 117.179 0.016 . 1 . . . . 86 ARG N . 17526 1 861 . 1 1 87 87 ILE H H 1 8.277 0.015 . 1 . . . . 87 ILE H . 17526 1 862 . 1 1 87 87 ILE HA H 1 3.307 0.004 . 1 . . . . 87 ILE HA . 17526 1 863 . 1 1 87 87 ILE HD11 H 1 0.820 0.000 . 1 . . . . 87 ILE HD11 . 17526 1 864 . 1 1 87 87 ILE HD12 H 1 0.820 0.000 . 1 . . . . 87 ILE HD12 . 17526 1 865 . 1 1 87 87 ILE HD13 H 1 0.820 0.000 . 1 . . . . 87 ILE HD13 . 17526 1 866 . 1 1 87 87 ILE CA C 13 66.062 0.037 . 1 . . . . 87 ILE CA . 17526 1 867 . 1 1 87 87 ILE CB C 13 38.278 0.103 . 1 . . . . 87 ILE CB . 17526 1 868 . 1 1 87 87 ILE CG2 C 13 16.920 0.249 . 1 . . . . 87 ILE CG2 . 17526 1 869 . 1 1 87 87 ILE CD1 C 13 17.169 0.000 . 1 . . . . 87 ILE CD1 . 17526 1 870 . 1 1 87 87 ILE N N 15 119.088 0.055 . 1 . . . . 87 ILE N . 17526 1 871 . 1 1 88 88 ALA H H 1 7.915 0.016 . 1 . . . . 88 ALA H . 17526 1 872 . 1 1 88 88 ALA HB1 H 1 1.309 0.000 . 1 . . . . 88 ALA HB . 17526 1 873 . 1 1 88 88 ALA HB2 H 1 1.309 0.000 . 1 . . . . 88 ALA HB . 17526 1 874 . 1 1 88 88 ALA HB3 H 1 1.309 0.000 . 1 . . . . 88 ALA HB . 17526 1 875 . 1 1 88 88 ALA CA C 13 54.643 0.057 . 1 . . . . 88 ALA CA . 17526 1 876 . 1 1 88 88 ALA CB C 13 20.055 0.088 . 1 . . . . 88 ALA CB . 17526 1 877 . 1 1 88 88 ALA N N 15 120.797 0.020 . 1 . . . . 88 ALA N . 17526 1 878 . 1 1 89 89 LEU H H 1 8.742 0.011 . 1 . . . . 89 LEU H . 17526 1 879 . 1 1 89 89 LEU HA H 1 3.881 0.000 . 1 . . . . 89 LEU HA . 17526 1 880 . 1 1 89 89 LEU HB2 H 1 1.845 0.000 . 1 . . . . 89 LEU HB2 . 17526 1 881 . 1 1 89 89 LEU HD11 H 1 0.856 0.000 . 2 . . . . 89 LEU HD11 . 17526 1 882 . 1 1 89 89 LEU HD12 H 1 0.856 0.000 . 2 . . . . 89 LEU HD12 . 17526 1 883 . 1 1 89 89 LEU HD13 H 1 0.856 0.000 . 2 . . . . 89 LEU HD13 . 17526 1 884 . 1 1 89 89 LEU HD21 H 1 0.545 0.000 . 2 . . . . 89 LEU HD21 . 17526 1 885 . 1 1 89 89 LEU HD22 H 1 0.545 0.000 . 2 . . . . 89 LEU HD22 . 17526 1 886 . 1 1 89 89 LEU HD23 H 1 0.545 0.000 . 2 . . . . 89 LEU HD23 . 17526 1 887 . 1 1 89 89 LEU CA C 13 57.451 0.000 . 1 . . . . 89 LEU CA . 17526 1 888 . 1 1 89 89 LEU CB C 13 41.487 0.000 . 1 . . . . 89 LEU CB . 17526 1 889 . 1 1 89 89 LEU CD1 C 13 22.504 0.000 . 2 . . . . 89 LEU CD1 . 17526 1 890 . 1 1 89 89 LEU CD2 C 13 26.263 0.000 . 2 . . . . 89 LEU CD2 . 17526 1 891 . 1 1 89 89 LEU N N 15 116.494 0.012 . 1 . . . . 89 LEU N . 17526 1 892 . 1 1 90 90 TYR H H 1 8.806 0.010 . 1 . . . . 90 TYR H . 17526 1 893 . 1 1 90 90 TYR HB2 H 1 2.933 0.000 . 2 . . . . 90 TYR HB2 . 17526 1 894 . 1 1 90 90 TYR HB3 H 1 3.239 0.000 . 2 . . . . 90 TYR HB3 . 17526 1 895 . 1 1 90 90 TYR HD1 H 1 6.627 0.000 . 3 . . . . 90 TYR HD1 . 17526 1 896 . 1 1 90 90 TYR HD2 H 1 6.627 0.000 . 3 . . . . 90 TYR HD2 . 17526 1 897 . 1 1 90 90 TYR HE1 H 1 6.386 0.000 . 3 . . . . 90 TYR HE1 . 17526 1 898 . 1 1 90 90 TYR HE2 H 1 6.386 0.000 . 3 . . . . 90 TYR HE2 . 17526 1 899 . 1 1 90 90 TYR CA C 13 62.719 0.058 . 1 . . . . 90 TYR CA . 17526 1 900 . 1 1 90 90 TYR CB C 13 37.452 0.078 . 1 . . . . 90 TYR CB . 17526 1 901 . 1 1 90 90 TYR CD1 C 13 131.991 0.000 . 3 . . . . 90 TYR CD1 . 17526 1 902 . 1 1 90 90 TYR CD2 C 13 131.991 0.000 . 3 . . . . 90 TYR CD2 . 17526 1 903 . 1 1 90 90 TYR CE1 C 13 117.385 0.000 . 3 . . . . 90 TYR CE1 . 17526 1 904 . 1 1 90 90 TYR CE2 C 13 117.385 0.000 . 3 . . . . 90 TYR CE2 . 17526 1 905 . 1 1 90 90 TYR N N 15 125.763 0.009 . 1 . . . . 90 TYR N . 17526 1 906 . 1 1 91 91 GLU H H 1 8.699 0.011 . 1 . . . . 91 GLU H . 17526 1 907 . 1 1 91 91 GLU HA H 1 3.464 0.000 . 1 . . . . 91 GLU HA . 17526 1 908 . 1 1 91 91 GLU CA C 13 60.373 0.030 . 1 . . . . 91 GLU CA . 17526 1 909 . 1 1 91 91 GLU CB C 13 30.027 0.097 . 1 . . . . 91 GLU CB . 17526 1 910 . 1 1 91 91 GLU CG C 13 37.581 0.000 . 1 . . . . 91 GLU CG . 17526 1 911 . 1 1 91 91 GLU N N 15 120.300 0.018 . 1 . . . . 91 GLU N . 17526 1 912 . 1 1 92 92 LEU H H 1 8.825 0.010 . 1 . . . . 92 LEU H . 17526 1 913 . 1 1 92 92 LEU HB2 H 1 1.567 0.039 . 1 . . . . 92 LEU HB2 . 17526 1 914 . 1 1 92 92 LEU HG H 1 1.847 0.000 . 1 . . . . 92 LEU HG . 17526 1 915 . 1 1 92 92 LEU HD11 H 1 0.558 0.000 . 1 . . . . 92 LEU HD11 . 17526 1 916 . 1 1 92 92 LEU HD12 H 1 0.558 0.000 . 1 . . . . 92 LEU HD12 . 17526 1 917 . 1 1 92 92 LEU HD13 H 1 0.558 0.000 . 1 . . . . 92 LEU HD13 . 17526 1 918 . 1 1 92 92 LEU CA C 13 57.038 0.061 . 1 . . . . 92 LEU CA . 17526 1 919 . 1 1 92 92 LEU CB C 13 42.896 0.070 . 1 . . . . 92 LEU CB . 17526 1 920 . 1 1 92 92 LEU CG C 13 27.222 0.000 . 1 . . . . 92 LEU CG . 17526 1 921 . 1 1 92 92 LEU CD1 C 13 25.361 0.000 . 2 . . . . 92 LEU CD1 . 17526 1 922 . 1 1 92 92 LEU CD2 C 13 23.295 0.000 . 2 . . . . 92 LEU CD2 . 17526 1 923 . 1 1 92 92 LEU N N 15 115.769 0.029 . 1 . . . . 92 LEU N . 17526 1 924 . 1 1 93 93 SER H H 1 8.223 0.011 . 1 . . . . 93 SER H . 17526 1 925 . 1 1 93 93 SER HA H 1 4.090 0.016 . 1 . . . . 93 SER HA . 17526 1 926 . 1 1 93 93 SER HB2 H 1 3.710 0.000 . 2 . . . . 93 SER HB2 . 17526 1 927 . 1 1 93 93 SER HB3 H 1 4.075 0.007 . 2 . . . . 93 SER HB3 . 17526 1 928 . 1 1 93 93 SER CA C 13 60.591 0.119 . 1 . . . . 93 SER CA . 17526 1 929 . 1 1 93 93 SER CB C 13 64.348 0.038 . 1 . . . . 93 SER CB . 17526 1 930 . 1 1 93 93 SER N N 15 112.827 0.025 . 1 . . . . 93 SER N . 17526 1 931 . 1 1 94 94 LYS H H 1 8.383 0.009 . 1 . . . . 94 LYS H . 17526 1 932 . 1 1 94 94 LYS HA H 1 4.533 0.000 . 1 . . . . 94 LYS HA . 17526 1 933 . 1 1 94 94 LYS HB2 H 1 0.876 0.001 . 2 . . . . 94 LYS HB2 . 17526 1 934 . 1 1 94 94 LYS HB3 H 1 1.485 0.028 . 2 . . . . 94 LYS HB3 . 17526 1 935 . 1 1 94 94 LYS HG2 H 1 1.109 0.019 . 2 . . . . 94 LYS HG2 . 17526 1 936 . 1 1 94 94 LYS HG3 H 1 1.314 0.000 . 2 . . . . 94 LYS HG3 . 17526 1 937 . 1 1 94 94 LYS HE2 H 1 2.666 0.000 . 1 . . . . 94 LYS HE2 . 17526 1 938 . 1 1 94 94 LYS HE3 H 1 2.666 0.000 . 1 . . . . 94 LYS HE3 . 17526 1 939 . 1 1 94 94 LYS CA C 13 55.165 0.054 . 1 . . . . 94 LYS CA . 17526 1 940 . 1 1 94 94 LYS CB C 13 33.383 0.065 . 1 . . . . 94 LYS CB . 17526 1 941 . 1 1 94 94 LYS CG C 13 23.911 0.000 . 1 . . . . 94 LYS CG . 17526 1 942 . 1 1 94 94 LYS CD C 13 28.031 0.000 . 1 . . . . 94 LYS CD . 17526 1 943 . 1 1 94 94 LYS CE C 13 41.917 0.000 . 1 . . . . 94 LYS CE . 17526 1 944 . 1 1 94 94 LYS N N 15 118.226 0.021 . 1 . . . . 94 LYS N . 17526 1 945 . 1 1 95 95 ARG H H 1 7.730 0.011 . 1 . . . . 95 ARG H . 17526 1 946 . 1 1 95 95 ARG HA H 1 4.875 0.004 . 1 . . . . 95 ARG HA . 17526 1 947 . 1 1 95 95 ARG HB2 H 1 2.129 0.000 . 1 . . . . 95 ARG HB2 . 17526 1 948 . 1 1 95 95 ARG HD2 H 1 3.222 0.000 . 2 . . . . 95 ARG HD2 . 17526 1 949 . 1 1 95 95 ARG HD3 H 1 3.433 0.000 . 2 . . . . 95 ARG HD3 . 17526 1 950 . 1 1 95 95 ARG CA C 13 50.982 0.071 . 1 . . . . 95 ARG CA . 17526 1 951 . 1 1 95 95 ARG CB C 13 27.875 0.050 . 1 . . . . 95 ARG CB . 17526 1 952 . 1 1 95 95 ARG CG C 13 25.136 0.000 . 1 . . . . 95 ARG CG . 17526 1 953 . 1 1 95 95 ARG CD C 13 40.515 0.000 . 1 . . . . 95 ARG CD . 17526 1 954 . 1 1 95 95 ARG N N 15 119.737 0.018 . 1 . . . . 95 ARG N . 17526 1 955 . 1 1 96 96 SER H H 1 8.466 0.008 . 1 . . . . 96 SER H . 17526 1 956 . 1 1 96 96 SER HA H 1 4.029 0.000 . 1 . . . . 96 SER HA . 17526 1 957 . 1 1 96 96 SER HB2 H 1 3.839 0.018 . 1 . . . . 96 SER HB2 . 17526 1 958 . 1 1 96 96 SER HB3 H 1 3.857 0.000 . 1 . . . . 96 SER HB3 . 17526 1 959 . 1 1 96 96 SER CA C 13 60.612 0.037 . 1 . . . . 96 SER CA . 17526 1 960 . 1 1 96 96 SER CB C 13 62.582 0.056 . 1 . . . . 96 SER CB . 17526 1 961 . 1 1 96 96 SER N N 15 118.744 0.019 . 1 . . . . 96 SER N . 17526 1 962 . 1 1 97 97 ASP H H 1 9.411 0.011 . 1 . . . . 97 ASP H . 17526 1 963 . 1 1 97 97 ASP HA H 1 4.356 0.000 . 1 . . . . 97 ASP HA . 17526 1 964 . 1 1 97 97 ASP HB2 H 1 2.649 0.000 . 2 . . . . 97 ASP HB2 . 17526 1 965 . 1 1 97 97 ASP HB3 H 1 2.758 0.000 . 2 . . . . 97 ASP HB3 . 17526 1 966 . 1 1 97 97 ASP CA C 13 53.798 0.052 . 1 . . . . 97 ASP CA . 17526 1 967 . 1 1 97 97 ASP CB C 13 39.319 0.059 . 1 . . . . 97 ASP CB . 17526 1 968 . 1 1 97 97 ASP N N 15 116.585 0.022 . 1 . . . . 97 ASP N . 17526 1 969 . 1 1 98 98 VAL H H 1 8.056 0.010 . 1 . . . . 98 VAL H . 17526 1 970 . 1 1 98 98 VAL CA C 13 60.416 0.000 . 1 . . . . 98 VAL CA . 17526 1 971 . 1 1 98 98 VAL CB C 13 32.819 0.000 . 1 . . . . 98 VAL CB . 17526 1 972 . 1 1 98 98 VAL N N 15 125.788 0.009 . 1 . . . . 98 VAL N . 17526 1 973 . 1 1 99 99 PRO HG2 H 1 1.484 0.000 . 1 . . . . 99 PRO HG2 . 17526 1 974 . 1 1 99 99 PRO HG3 H 1 1.484 0.000 . 1 . . . . 99 PRO HG3 . 17526 1 975 . 1 1 99 99 PRO CA C 13 62.494 0.000 . 1 . . . . 99 PRO CA . 17526 1 976 . 1 1 99 99 PRO CB C 13 33.499 0.000 . 1 . . . . 99 PRO CB . 17526 1 977 . 1 1 99 99 PRO CG C 13 29.368 0.000 . 1 . . . . 99 PRO CG . 17526 1 978 . 1 1 100 100 TYR H H 1 8.251 0.012 . 1 . . . . 100 TYR H . 17526 1 979 . 1 1 100 100 TYR HB2 H 1 2.763 0.000 . 1 . . . . 100 TYR HB2 . 17526 1 980 . 1 1 100 100 TYR HD1 H 1 6.642 0.000 . 3 . . . . 100 TYR HD1 . 17526 1 981 . 1 1 100 100 TYR HD2 H 1 6.642 0.000 . 3 . . . . 100 TYR HD2 . 17526 1 982 . 1 1 100 100 TYR HE1 H 1 6.390 0.000 . 3 . . . . 100 TYR HE1 . 17526 1 983 . 1 1 100 100 TYR HE2 H 1 6.390 0.000 . 3 . . . . 100 TYR HE2 . 17526 1 984 . 1 1 100 100 TYR CA C 13 61.836 0.000 . 1 . . . . 100 TYR CA . 17526 1 985 . 1 1 100 100 TYR CB C 13 39.329 0.011 . 1 . . . . 100 TYR CB . 17526 1 986 . 1 1 100 100 TYR CD1 C 13 132.460 0.000 . 3 . . . . 100 TYR CD1 . 17526 1 987 . 1 1 100 100 TYR CD2 C 13 132.460 0.000 . 3 . . . . 100 TYR CD2 . 17526 1 988 . 1 1 100 100 TYR CE1 C 13 118.010 0.000 . 3 . . . . 100 TYR CE1 . 17526 1 989 . 1 1 100 100 TYR CE2 C 13 118.010 0.000 . 3 . . . . 100 TYR CE2 . 17526 1 990 . 1 1 100 100 TYR N N 15 125.845 0.044 . 1 . . . . 100 TYR N . 17526 1 991 . 1 1 101 101 LYS H H 1 9.156 0.005 . 1 . . . . 101 LYS H . 17526 1 992 . 1 1 101 101 LYS HE2 H 1 3.294 0.000 . 1 . . . . 101 LYS HE2 . 17526 1 993 . 1 1 101 101 LYS HE3 H 1 3.294 0.000 . 1 . . . . 101 LYS HE3 . 17526 1 994 . 1 1 101 101 LYS CA C 13 60.103 0.000 . 1 . . . . 101 LYS CA . 17526 1 995 . 1 1 101 101 LYS CB C 13 32.275 0.000 . 1 . . . . 101 LYS CB . 17526 1 996 . 1 1 101 101 LYS N N 15 113.343 0.038 . 1 . . . . 101 LYS N . 17526 1 997 . 1 1 102 102 VAL H H 1 6.672 0.012 . 1 . . . . 102 VAL H . 17526 1 998 . 1 1 102 102 VAL CA C 13 65.084 0.000 . 1 . . . . 102 VAL CA . 17526 1 999 . 1 1 102 102 VAL CB C 13 30.093 0.000 . 1 . . . . 102 VAL CB . 17526 1 1000 . 1 1 102 102 VAL N N 15 118.473 0.001 . 1 . . . . 102 VAL N . 17526 1 1001 . 1 1 103 103 ALA H H 1 7.179 0.013 . 1 . . . . 103 ALA H . 17526 1 1002 . 1 1 103 103 ALA HA H 1 3.725 0.000 . 1 . . . . 103 ALA HA . 17526 1 1003 . 1 1 103 103 ALA HB1 H 1 1.118 0.000 . 1 . . . . 103 ALA HB1 . 17526 1 1004 . 1 1 103 103 ALA HB2 H 1 1.118 0.000 . 1 . . . . 103 ALA HB2 . 17526 1 1005 . 1 1 103 103 ALA HB3 H 1 1.118 0.000 . 1 . . . . 103 ALA HB3 . 17526 1 1006 . 1 1 103 103 ALA CA C 13 54.998 0.120 . 1 . . . . 103 ALA CA . 17526 1 1007 . 1 1 103 103 ALA CB C 13 17.418 0.089 . 1 . . . . 103 ALA CB . 17526 1 1008 . 1 1 103 103 ALA N N 15 119.192 0.081 . 1 . . . . 103 ALA N . 17526 1 1009 . 1 1 104 104 ILE H H 1 6.745 0.018 . 1 . . . . 104 ILE H . 17526 1 1010 . 1 1 104 104 ILE HA H 1 3.297 0.000 . 1 . . . . 104 ILE HA . 17526 1 1011 . 1 1 104 104 ILE HB H 1 1.242 0.000 . 1 . . . . 104 ILE HB . 17526 1 1012 . 1 1 104 104 ILE HG12 H 1 1.513 0.001 . 1 . . . . 104 ILE HG12 . 17526 1 1013 . 1 1 104 104 ILE HG21 H 1 0.576 0.000 . 1 . . . . 104 ILE HG21 . 17526 1 1014 . 1 1 104 104 ILE HG22 H 1 0.576 0.000 . 1 . . . . 104 ILE HG22 . 17526 1 1015 . 1 1 104 104 ILE HG23 H 1 0.576 0.000 . 1 . . . . 104 ILE HG23 . 17526 1 1016 . 1 1 104 104 ILE HD11 H 1 0.030 0.000 . 1 . . . . 104 ILE HD11 . 17526 1 1017 . 1 1 104 104 ILE HD12 H 1 0.030 0.000 . 1 . . . . 104 ILE HD12 . 17526 1 1018 . 1 1 104 104 ILE HD13 H 1 0.030 0.000 . 1 . . . . 104 ILE HD13 . 17526 1 1019 . 1 1 104 104 ILE CA C 13 65.382 0.067 . 1 . . . . 104 ILE CA . 17526 1 1020 . 1 1 104 104 ILE CB C 13 38.609 0.034 . 1 . . . . 104 ILE CB . 17526 1 1021 . 1 1 104 104 ILE CG1 C 13 29.316 0.000 . 1 . . . . 104 ILE CG1 . 17526 1 1022 . 1 1 104 104 ILE CG2 C 13 16.451 0.000 . 1 . . . . 104 ILE CG2 . 17526 1 1023 . 1 1 104 104 ILE CD1 C 13 12.645 0.000 . 1 . . . . 104 ILE CD1 . 17526 1 1024 . 1 1 104 104 ILE N N 15 111.812 0.192 . 1 . . . . 104 ILE N . 17526 1 1025 . 1 1 105 105 ASN H H 1 8.507 0.016 . 1 . . . . 105 ASN H . 17526 1 1026 . 1 1 105 105 ASN HA H 1 4.085 0.000 . 1 . . . . 105 ASN HA . 17526 1 1027 . 1 1 105 105 ASN HB2 H 1 2.593 0.000 . 1 . . . . 105 ASN HB2 . 17526 1 1028 . 1 1 105 105 ASN CA C 13 58.650 0.057 . 1 . . . . 105 ASN CA . 17526 1 1029 . 1 1 105 105 ASN CB C 13 41.395 0.000 . 1 . . . . 105 ASN CB . 17526 1 1030 . 1 1 105 105 ASN N N 15 118.431 0.092 . 1 . . . . 105 ASN N . 17526 1 1031 . 1 1 106 106 GLU H H 1 8.777 0.014 . 1 . . . . 106 GLU H . 17526 1 1032 . 1 1 106 106 GLU HA H 1 4.129 0.000 . 1 . . . . 106 GLU HA . 17526 1 1033 . 1 1 106 106 GLU HB2 H 1 2.074 0.000 . 1 . . . . 106 GLU HB2 . 17526 1 1034 . 1 1 106 106 GLU CA C 13 59.104 0.020 . 1 . . . . 106 GLU CA . 17526 1 1035 . 1 1 106 106 GLU CB C 13 30.329 0.006 . 1 . . . . 106 GLU CB . 17526 1 1036 . 1 1 106 106 GLU CG C 13 38.177 0.000 . 1 . . . . 106 GLU CG . 17526 1 1037 . 1 1 106 106 GLU N N 15 115.253 0.047 . 1 . . . . 106 GLU N . 17526 1 1038 . 1 1 107 107 ALA H H 1 7.060 0.011 . 1 . . . . 107 ALA H . 17526 1 1039 . 1 1 107 107 ALA HA H 1 4.190 0.000 . 1 . . . . 107 ALA HA . 17526 1 1040 . 1 1 107 107 ALA HB1 H 1 1.238 0.000 . 1 . . . . 107 ALA HB1 . 17526 1 1041 . 1 1 107 107 ALA HB2 H 1 1.238 0.000 . 1 . . . . 107 ALA HB2 . 17526 1 1042 . 1 1 107 107 ALA HB3 H 1 1.238 0.000 . 1 . . . . 107 ALA HB3 . 17526 1 1043 . 1 1 107 107 ALA CA C 13 54.722 0.053 . 1 . . . . 107 ALA CA . 17526 1 1044 . 1 1 107 107 ALA CB C 13 19.281 0.105 . 1 . . . . 107 ALA CB . 17526 1 1045 . 1 1 107 107 ALA N N 15 120.618 0.061 . 1 . . . . 107 ALA N . 17526 1 1046 . 1 1 108 108 ILE H H 1 7.786 0.014 . 1 . . . . 108 ILE H . 17526 1 1047 . 1 1 108 108 ILE CA C 13 65.916 0.067 . 1 . . . . 108 ILE CA . 17526 1 1048 . 1 1 108 108 ILE CB C 13 38.322 0.084 . 1 . . . . 108 ILE CB . 17526 1 1049 . 1 1 108 108 ILE CG2 C 13 17.887 0.000 . 1 . . . . 108 ILE CG2 . 17526 1 1050 . 1 1 108 108 ILE CD1 C 13 17.887 0.000 . 1 . . . . 108 ILE CD1 . 17526 1 1051 . 1 1 108 108 ILE N N 15 118.192 0.043 . 1 . . . . 108 ILE N . 17526 1 1052 . 1 1 109 109 GLU H H 1 7.914 0.013 . 1 . . . . 109 GLU H . 17526 1 1053 . 1 1 109 109 GLU HA H 1 3.837 0.000 . 1 . . . . 109 GLU HA . 17526 1 1054 . 1 1 109 109 GLU HB2 H 1 2.238 0.000 . 2 . . . . 109 GLU HB2 . 17526 1 1055 . 1 1 109 109 GLU HB3 H 1 1.996 0.002 . 2 . . . . 109 GLU HB3 . 17526 1 1056 . 1 1 109 109 GLU CA C 13 59.268 0.027 . 1 . . . . 109 GLU CA . 17526 1 1057 . 1 1 109 109 GLU CB C 13 28.463 0.093 . 1 . . . . 109 GLU CB . 17526 1 1058 . 1 1 109 109 GLU CG C 13 35.866 0.000 . 1 . . . . 109 GLU CG . 17526 1 1059 . 1 1 109 109 GLU N N 15 118.274 0.019 . 1 . . . . 109 GLU N . 17526 1 1060 . 1 1 110 110 LEU H H 1 8.854 0.011 . 1 . . . . 110 LEU H . 17526 1 1061 . 1 1 110 110 LEU HD11 H 1 0.953 0.000 . 1 . . . . 110 LEU HD11 . 17526 1 1062 . 1 1 110 110 LEU HD12 H 1 0.953 0.000 . 1 . . . . 110 LEU HD12 . 17526 1 1063 . 1 1 110 110 LEU HD13 H 1 0.953 0.000 . 1 . . . . 110 LEU HD13 . 17526 1 1064 . 1 1 110 110 LEU HD21 H 1 0.953 0.000 . 1 . . . . 110 LEU HD21 . 17526 1 1065 . 1 1 110 110 LEU HD22 H 1 0.953 0.000 . 1 . . . . 110 LEU HD22 . 17526 1 1066 . 1 1 110 110 LEU HD23 H 1 0.953 0.000 . 1 . . . . 110 LEU HD23 . 17526 1 1067 . 1 1 110 110 LEU CA C 13 57.918 0.000 . 1 . . . . 110 LEU CA . 17526 1 1068 . 1 1 110 110 LEU CB C 13 43.015 0.074 . 1 . . . . 110 LEU CB . 17526 1 1069 . 1 1 110 110 LEU CG C 13 31.419 0.000 . 1 . . . . 110 LEU CG . 17526 1 1070 . 1 1 110 110 LEU CD1 C 13 23.713 0.000 . 2 . . . . 110 LEU CD1 . 17526 1 1071 . 1 1 110 110 LEU CD2 C 13 26.567 0.000 . 2 . . . . 110 LEU CD2 . 17526 1 1072 . 1 1 110 110 LEU N N 15 122.188 0.006 . 1 . . . . 110 LEU N . 17526 1 1073 . 1 1 111 111 ALA H H 1 8.574 0.010 . 1 . . . . 111 ALA H . 17526 1 1074 . 1 1 111 111 ALA HB1 H 1 1.477 0.000 . 1 . . . . 111 ALA HB1 . 17526 1 1075 . 1 1 111 111 ALA HB2 H 1 1.477 0.000 . 1 . . . . 111 ALA HB2 . 17526 1 1076 . 1 1 111 111 ALA HB3 H 1 1.477 0.000 . 1 . . . . 111 ALA HB3 . 17526 1 1077 . 1 1 111 111 ALA CA C 13 55.231 0.044 . 1 . . . . 111 ALA CA . 17526 1 1078 . 1 1 111 111 ALA CB C 13 17.000 0.008 . 1 . . . . 111 ALA CB . 17526 1 1079 . 1 1 111 111 ALA N N 15 121.418 0.036 . 1 . . . . 111 ALA N . 17526 1 1080 . 1 1 112 112 LYS H H 1 8.306 0.007 . 1 . . . . 112 LYS H . 17526 1 1081 . 1 1 112 112 LYS HA H 1 4.077 0.000 . 1 . . . . 112 LYS HA . 17526 1 1082 . 1 1 112 112 LYS HB2 H 1 1.699 0.000 . 2 . . . . 112 LYS HB2 . 17526 1 1083 . 1 1 112 112 LYS HB3 H 1 2.046 0.000 . 2 . . . . 112 LYS HB3 . 17526 1 1084 . 1 1 112 112 LYS HG2 H 1 1.332 0.000 . 2 . . . . 112 LYS HG2 . 17526 1 1085 . 1 1 112 112 LYS HG3 H 1 1.429 0.000 . 2 . . . . 112 LYS HG3 . 17526 1 1086 . 1 1 112 112 LYS HD2 H 1 1.861 0.000 . 1 . . . . 112 LYS HD2 . 17526 1 1087 . 1 1 112 112 LYS HD3 H 1 1.861 0.000 . 1 . . . . 112 LYS HD3 . 17526 1 1088 . 1 1 112 112 LYS CA C 13 59.833 0.000 . 1 . . . . 112 LYS CA . 17526 1 1089 . 1 1 112 112 LYS CB C 13 32.469 0.027 . 1 . . . . 112 LYS CB . 17526 1 1090 . 1 1 112 112 LYS CG C 13 25.566 0.000 . 1 . . . . 112 LYS CG . 17526 1 1091 . 1 1 112 112 LYS CD C 13 29.625 0.000 . 1 . . . . 112 LYS CD . 17526 1 1092 . 1 1 112 112 LYS CE C 13 40.412 0.000 . 1 . . . . 112 LYS CE . 17526 1 1093 . 1 1 112 112 LYS N N 15 119.154 0.012 . 1 . . . . 112 LYS N . 17526 1 1094 . 1 1 113 113 SER H H 1 7.870 0.010 . 1 . . . . 113 SER H . 17526 1 1095 . 1 1 113 113 SER HB2 H 1 4.038 0.047 . 1 . . . . 113 SER HB2 . 17526 1 1096 . 1 1 113 113 SER CA C 13 61.699 0.106 . 1 . . . . 113 SER CA . 17526 1 1097 . 1 1 113 113 SER CB C 13 63.115 0.121 . 1 . . . . 113 SER CB . 17526 1 1098 . 1 1 113 113 SER N N 15 113.652 0.011 . 1 . . . . 113 SER N . 17526 1 1099 . 1 1 114 114 PHE H H 1 8.068 0.021 . 1 . . . . 114 PHE H . 17526 1 1100 . 1 1 114 114 PHE HA H 1 4.804 0.000 . 1 . . . . 114 PHE HA . 17526 1 1101 . 1 1 114 114 PHE HB2 H 1 2.408 0.000 . 2 . . . . 114 PHE HB2 . 17526 1 1102 . 1 1 114 114 PHE HB3 H 1 3.177 0.000 . 2 . . . . 114 PHE HB3 . 17526 1 1103 . 1 1 114 114 PHE HD1 H 1 7.294 0.000 . 3 . . . . 114 PHE HD1 . 17526 1 1104 . 1 1 114 114 PHE HD2 H 1 7.294 0.000 . 3 . . . . 114 PHE HD2 . 17526 1 1105 . 1 1 114 114 PHE HE1 H 1 7.228 0.000 . 3 . . . . 114 PHE HE1 . 17526 1 1106 . 1 1 114 114 PHE HE2 H 1 7.228 0.000 . 3 . . . . 114 PHE HE2 . 17526 1 1107 . 1 1 114 114 PHE HZ H 1 7.161 0.000 . 1 . . . . 114 PHE HZ . 17526 1 1108 . 1 1 114 114 PHE CA C 13 58.257 0.000 . 1 . . . . 114 PHE CA . 17526 1 1109 . 1 1 114 114 PHE CB C 13 42.011 0.155 . 1 . . . . 114 PHE CB . 17526 1 1110 . 1 1 114 114 PHE CD1 C 13 131.575 0.000 . 3 . . . . 114 PHE CD1 . 17526 1 1111 . 1 1 114 114 PHE CD2 C 13 131.575 0.000 . 3 . . . . 114 PHE CD2 . 17526 1 1112 . 1 1 114 114 PHE CE1 C 13 130.456 0.000 . 3 . . . . 114 PHE CE1 . 17526 1 1113 . 1 1 114 114 PHE CE2 C 13 130.456 0.000 . 3 . . . . 114 PHE CE2 . 17526 1 1114 . 1 1 114 114 PHE CZ C 13 129.264 0.000 . 1 . . . . 114 PHE CZ . 17526 1 1115 . 1 1 114 114 PHE N N 15 114.455 0.083 . 1 . . . . 114 PHE N . 17526 1 1116 . 1 1 115 115 GLY H H 1 8.456 0.009 . 1 . . . . 115 GLY H . 17526 1 1117 . 1 1 115 115 GLY HA2 H 1 4.173 0.005 . 2 . . . . 115 GLY HA2 . 17526 1 1118 . 1 1 115 115 GLY HA3 H 1 3.791 0.001 . 2 . . . . 115 GLY HA3 . 17526 1 1119 . 1 1 115 115 GLY CA C 13 43.688 0.063 . 1 . . . . 115 GLY CA . 17526 1 1120 . 1 1 115 115 GLY N N 15 109.306 0.095 . 1 . . . . 115 GLY N . 17526 1 1121 . 1 1 116 116 ALA H H 1 8.500 0.028 . 1 . . . . 116 ALA H . 17526 1 1122 . 1 1 116 116 ALA HA H 1 4.369 0.000 . 1 . . . . 116 ALA HA . 17526 1 1123 . 1 1 116 116 ALA HB1 H 1 1.500 0.000 . 1 . . . . 116 ALA HB1 . 17526 1 1124 . 1 1 116 116 ALA HB2 H 1 1.500 0.000 . 1 . . . . 116 ALA HB2 . 17526 1 1125 . 1 1 116 116 ALA HB3 H 1 1.500 0.000 . 1 . . . . 116 ALA HB3 . 17526 1 1126 . 1 1 116 116 ALA CA C 13 51.657 0.059 . 1 . . . . 116 ALA CA . 17526 1 1127 . 1 1 116 116 ALA CB C 13 19.440 0.082 . 1 . . . . 116 ALA CB . 17526 1 1128 . 1 1 116 116 ALA N N 15 122.164 0.033 . 1 . . . . 116 ALA N . 17526 1 1129 . 1 1 117 117 GLU H H 1 8.711 0.010 . 1 . . . . 117 GLU H . 17526 1 1130 . 1 1 117 117 GLU HA H 1 4.039 0.000 . 1 . . . . 117 GLU HA . 17526 1 1131 . 1 1 117 117 GLU HB2 H 1 1.966 0.000 . 1 . . . . 117 GLU HB2 . 17526 1 1132 . 1 1 117 117 GLU HG2 H 1 2.275 0.000 . 1 . . . . 117 GLU HG2 . 17526 1 1133 . 1 1 117 117 GLU HG3 H 1 2.275 0.000 . 1 . . . . 117 GLU HG3 . 17526 1 1134 . 1 1 117 117 GLU CA C 13 59.139 0.057 . 1 . . . . 117 GLU CA . 17526 1 1135 . 1 1 117 117 GLU CB C 13 29.217 0.070 . 1 . . . . 117 GLU CB . 17526 1 1136 . 1 1 117 117 GLU CG C 13 35.664 0.000 . 1 . . . . 117 GLU CG . 17526 1 1137 . 1 1 117 117 GLU N N 15 122.472 0.042 . 1 . . . . 117 GLU N . 17526 1 1138 . 1 1 118 118 ASP H H 1 8.894 0.009 . 1 . . . . 118 ASP H . 17526 1 1139 . 1 1 118 118 ASP CA C 13 56.418 0.000 . 1 . . . . 118 ASP CA . 17526 1 1140 . 1 1 118 118 ASP CB C 13 39.558 0.000 . 1 . . . . 118 ASP CB . 17526 1 1141 . 1 1 118 118 ASP N N 15 117.955 0.025 . 1 . . . . 118 ASP N . 17526 1 1142 . 1 1 119 119 SER N N 15 117.018 0.000 . 1 . . . . 119 SER N . 17526 1 1143 . 1 1 120 120 HIS HE1 H 1 7.939 0.000 . 1 . . . . 120 HIS HE1 . 17526 1 1144 . 1 1 120 120 HIS CE1 C 13 139.024 0.000 . 1 . . . . 120 HIS CE1 . 17526 1 1145 . 1 1 122 122 PHE HD1 H 1 6.879 0.000 . 3 . . . . 122 PHE HD1 . 17526 1 1146 . 1 1 122 122 PHE HD2 H 1 6.879 0.000 . 3 . . . . 122 PHE HD2 . 17526 1 1147 . 1 1 122 122 PHE HZ H 1 7.048 0.000 . 1 . . . . 122 PHE HZ . 17526 1 1148 . 1 1 122 122 PHE CA C 13 61.645 0.000 . 1 . . . . 122 PHE CA . 17526 1 1149 . 1 1 122 122 PHE CB C 13 38.827 0.000 . 1 . . . . 122 PHE CB . 17526 1 1150 . 1 1 122 122 PHE CD1 C 13 132.643 0.000 . 3 . . . . 122 PHE CD1 . 17526 1 1151 . 1 1 122 122 PHE CD2 C 13 132.643 0.000 . 3 . . . . 122 PHE CD2 . 17526 1 1152 . 1 1 122 122 PHE CZ C 13 128.665 0.000 . 1 . . . . 122 PHE CZ . 17526 1 1153 . 1 1 123 123 VAL H H 1 8.253 0.011 . 1 . . . . 123 VAL H . 17526 1 1154 . 1 1 123 123 VAL HA H 1 3.317 0.004 . 1 . . . . 123 VAL HA . 17526 1 1155 . 1 1 123 123 VAL HG11 H 1 0.978 0.000 . 1 . . . . 123 VAL HG11 . 17526 1 1156 . 1 1 123 123 VAL HG12 H 1 0.978 0.000 . 1 . . . . 123 VAL HG12 . 17526 1 1157 . 1 1 123 123 VAL HG13 H 1 0.978 0.000 . 1 . . . . 123 VAL HG13 . 17526 1 1158 . 1 1 123 123 VAL CA C 13 66.417 0.034 . 1 . . . . 123 VAL CA . 17526 1 1159 . 1 1 123 123 VAL CB C 13 31.573 0.184 . 1 . . . . 123 VAL CB . 17526 1 1160 . 1 1 123 123 VAL N N 15 117.513 0.036 . 1 . . . . 123 VAL N . 17526 1 1161 . 1 1 124 124 ASN H H 1 8.181 0.008 . 1 . . . . 124 ASN H . 17526 1 1162 . 1 1 124 124 ASN HA H 1 3.832 0.000 . 1 . . . . 124 ASN HA . 17526 1 1163 . 1 1 124 124 ASN HB2 H 1 2.999 0.000 . 1 . . . . 124 ASN HB2 . 17526 1 1164 . 1 1 124 124 ASN CA C 13 55.824 0.067 . 1 . . . . 124 ASN CA . 17526 1 1165 . 1 1 124 124 ASN CB C 13 39.016 0.059 . 1 . . . . 124 ASN CB . 17526 1 1166 . 1 1 124 124 ASN N N 15 114.639 0.082 . 1 . . . . 124 ASN N . 17526 1 1167 . 1 1 125 125 GLY H H 1 8.463 0.012 . 1 . . . . 125 GLY H . 17526 1 1168 . 1 1 125 125 GLY CA C 13 47.025 0.067 . 1 . . . . 125 GLY CA . 17526 1 1169 . 1 1 125 125 GLY N N 15 109.471 0.072 . 1 . . . . 125 GLY N . 17526 1 1170 . 1 1 126 126 VAL H H 1 7.791 0.000 . 1 . . . . 126 VAL H . 17526 1 1171 . 1 1 126 126 VAL HG11 H 1 1.229 0.000 . 1 . . . . 126 VAL HG11 . 17526 1 1172 . 1 1 126 126 VAL HG12 H 1 1.229 0.000 . 1 . . . . 126 VAL HG12 . 17526 1 1173 . 1 1 126 126 VAL HG13 H 1 1.229 0.000 . 1 . . . . 126 VAL HG13 . 17526 1 1174 . 1 1 126 126 VAL HG21 H 1 1.229 0.000 . 1 . . . . 126 VAL HG21 . 17526 1 1175 . 1 1 126 126 VAL HG22 H 1 1.229 0.000 . 1 . . . . 126 VAL HG22 . 17526 1 1176 . 1 1 126 126 VAL HG23 H 1 1.229 0.000 . 1 . . . . 126 VAL HG23 . 17526 1 1177 . 1 1 126 126 VAL CA C 13 66.061 0.000 . 1 . . . . 126 VAL CA . 17526 1 1178 . 1 1 126 126 VAL CB C 13 32.312 0.091 . 1 . . . . 126 VAL CB . 17526 1 1179 . 1 1 126 126 VAL N N 15 118.178 0.000 . 1 . . . . 126 VAL N . 17526 1 1180 . 1 1 127 127 LEU H H 1 7.870 0.012 . 1 . . . . 127 LEU H . 17526 1 1181 . 1 1 127 127 LEU HA H 1 3.692 0.007 . 1 . . . . 127 LEU HA . 17526 1 1182 . 1 1 127 127 LEU HB2 H 1 1.280 0.000 . 2 . . . . 127 LEU HB2 . 17526 1 1183 . 1 1 127 127 LEU HB3 H 1 1.938 0.000 . 2 . . . . 127 LEU HB3 . 17526 1 1184 . 1 1 127 127 LEU HG H 1 1.743 0.000 . 1 . . . . 127 LEU HG . 17526 1 1185 . 1 1 127 127 LEU HD11 H 1 0.535 0.000 . 2 . . . . 127 LEU HD11 . 17526 1 1186 . 1 1 127 127 LEU HD12 H 1 0.535 0.000 . 2 . . . . 127 LEU HD12 . 17526 1 1187 . 1 1 127 127 LEU HD13 H 1 0.535 0.000 . 2 . . . . 127 LEU HD13 . 17526 1 1188 . 1 1 127 127 LEU HD21 H 1 0.816 0.000 . 2 . . . . 127 LEU HD21 . 17526 1 1189 . 1 1 127 127 LEU HD22 H 1 0.816 0.000 . 2 . . . . 127 LEU HD22 . 17526 1 1190 . 1 1 127 127 LEU HD23 H 1 0.816 0.000 . 2 . . . . 127 LEU HD23 . 17526 1 1191 . 1 1 127 127 LEU CA C 13 57.785 0.089 . 1 . . . . 127 LEU CA . 17526 1 1192 . 1 1 127 127 LEU CB C 13 41.464 0.004 . 1 . . . . 127 LEU CB . 17526 1 1193 . 1 1 127 127 LEU CG C 13 26.227 0.000 . 1 . . . . 127 LEU CG . 17526 1 1194 . 1 1 127 127 LEU CD2 C 13 22.138 0.000 . 1 . . . . 127 LEU CD2 . 17526 1 1195 . 1 1 127 127 LEU N N 15 116.116 0.012 . 1 . . . . 127 LEU N . 17526 1 1196 . 1 1 128 128 ASP H H 1 7.919 0.009 . 1 . . . . 128 ASP H . 17526 1 1197 . 1 1 128 128 ASP HA H 1 4.452 0.000 . 1 . . . . 128 ASP HA . 17526 1 1198 . 1 1 128 128 ASP HB2 H 1 2.550 0.000 . 1 . . . . 128 ASP HB2 . 17526 1 1199 . 1 1 128 128 ASP HB3 H 1 2.550 0.000 . 1 . . . . 128 ASP HB3 . 17526 1 1200 . 1 1 128 128 ASP CA C 13 56.302 0.083 . 1 . . . . 128 ASP CA . 17526 1 1201 . 1 1 128 128 ASP CB C 13 43.508 0.085 . 1 . . . . 128 ASP CB . 17526 1 1202 . 1 1 128 128 ASP N N 15 114.707 0.023 . 1 . . . . 128 ASP N . 17526 1 1203 . 1 1 129 129 LYS H H 1 6.719 0.012 . 1 . . . . 129 LYS H . 17526 1 1204 . 1 1 129 129 LYS HA H 1 4.088 0.000 . 1 . . . . 129 LYS HA . 17526 1 1205 . 1 1 129 129 LYS HB2 H 1 1.629 0.000 . 1 . . . . 129 LYS HB2 . 17526 1 1206 . 1 1 129 129 LYS HE2 H 1 3.101 0.000 . 1 . . . . 129 LYS HE2 . 17526 1 1207 . 1 1 129 129 LYS HE3 H 1 3.101 0.000 . 1 . . . . 129 LYS HE3 . 17526 1 1208 . 1 1 129 129 LYS CA C 13 55.551 0.048 . 1 . . . . 129 LYS CA . 17526 1 1209 . 1 1 129 129 LYS CB C 13 31.793 0.065 . 1 . . . . 129 LYS CB . 17526 1 1210 . 1 1 129 129 LYS CE C 13 42.125 0.000 . 1 . . . . 129 LYS CE . 17526 1 1211 . 1 1 129 129 LYS N N 15 113.658 0.015 . 1 . . . . 129 LYS N . 17526 1 1212 . 1 1 130 130 ALA H H 1 7.708 0.014 . 1 . . . . 130 ALA H . 17526 1 1213 . 1 1 130 130 ALA HA H 1 4.701 0.000 . 1 . . . . 130 ALA HA . 17526 1 1214 . 1 1 130 130 ALA CA C 13 53.306 0.070 . 1 . . . . 130 ALA CA . 17526 1 1215 . 1 1 130 130 ALA CB C 13 19.143 0.082 . 1 . . . . 130 ALA CB . 17526 1 1216 . 1 1 130 130 ALA N N 15 118.576 0.022 . 1 . . . . 130 ALA N . 17526 1 1217 . 1 1 131 131 ALA H H 1 8.566 0.011 . 1 . . . . 131 ALA H . 17526 1 1218 . 1 1 131 131 ALA N N 15 118.995 0.011 . 1 . . . . 131 ALA N . 17526 1 1219 . 1 1 132 132 PRO HA H 1 4.397 0.011 . 1 . . . . 132 PRO HA . 17526 1 1220 . 1 1 132 132 PRO HB2 H 1 1.729 0.000 . 1 . . . . 132 PRO HB2 . 17526 1 1221 . 1 1 132 132 PRO CA C 13 65.073 0.028 . 1 . . . . 132 PRO CA . 17526 1 1222 . 1 1 132 132 PRO CB C 13 30.595 0.000 . 1 . . . . 132 PRO CB . 17526 1 1223 . 1 1 132 132 PRO CG C 13 27.670 0.000 . 1 . . . . 132 PRO CG . 17526 1 1224 . 1 1 132 132 PRO CD C 13 50.561 0.000 . 1 . . . . 132 PRO CD . 17526 1 1225 . 1 1 132 132 PRO N N 15 118.876 0.000 . 1 . . . . 132 PRO N . 17526 1 1226 . 1 1 133 133 VAL H H 1 6.890 0.014 . 1 . . . . 133 VAL H . 17526 1 1227 . 1 1 133 133 VAL HA H 1 3.719 0.000 . 1 . . . . 133 VAL HA . 17526 1 1228 . 1 1 133 133 VAL HB H 1 2.197 0.000 . 1 . . . . 133 VAL HB . 17526 1 1229 . 1 1 133 133 VAL HG11 H 1 1.016 0.000 . 2 . . . . 133 VAL HG11 . 17526 1 1230 . 1 1 133 133 VAL HG12 H 1 1.016 0.000 . 2 . . . . 133 VAL HG12 . 17526 1 1231 . 1 1 133 133 VAL HG13 H 1 1.016 0.000 . 2 . . . . 133 VAL HG13 . 17526 1 1232 . 1 1 133 133 VAL HG21 H 1 1.773 0.000 . 2 . . . . 133 VAL HG21 . 17526 1 1233 . 1 1 133 133 VAL HG22 H 1 1.773 0.000 . 2 . . . . 133 VAL HG22 . 17526 1 1234 . 1 1 133 133 VAL HG23 H 1 1.773 0.000 . 2 . . . . 133 VAL HG23 . 17526 1 1235 . 1 1 133 133 VAL CA C 13 64.474 0.075 . 1 . . . . 133 VAL CA . 17526 1 1236 . 1 1 133 133 VAL CB C 13 31.736 0.000 . 1 . . . . 133 VAL CB . 17526 1 1237 . 1 1 133 133 VAL CG1 C 13 21.645 0.000 . 1 . . . . 133 VAL CG1 . 17526 1 1238 . 1 1 133 133 VAL CG2 C 13 21.645 0.000 . 1 . . . . 133 VAL CG2 . 17526 1 1239 . 1 1 133 133 VAL N N 15 115.889 0.013 . 1 . . . . 133 VAL N . 17526 1 1240 . 1 1 134 134 ILE H H 1 7.291 0.012 . 1 . . . . 134 ILE H . 17526 1 1241 . 1 1 134 134 ILE HA H 1 3.892 0.000 . 1 . . . . 134 ILE HA . 17526 1 1242 . 1 1 134 134 ILE HB H 1 1.722 0.000 . 1 . . . . 134 ILE HB . 17526 1 1243 . 1 1 134 134 ILE HD11 H 1 0.826 0.004 . 1 . . . . 134 ILE HD11 . 17526 1 1244 . 1 1 134 134 ILE HD12 H 1 0.826 0.004 . 1 . . . . 134 ILE HD12 . 17526 1 1245 . 1 1 134 134 ILE HD13 H 1 0.826 0.004 . 1 . . . . 134 ILE HD13 . 17526 1 1246 . 1 1 134 134 ILE CA C 13 62.543 0.000 . 1 . . . . 134 ILE CA . 17526 1 1247 . 1 1 134 134 ILE CB C 13 39.236 0.089 . 1 . . . . 134 ILE CB . 17526 1 1248 . 1 1 134 134 ILE CD1 C 13 18.014 0.004 . 1 . . . . 134 ILE CD1 . 17526 1 1249 . 1 1 134 134 ILE N N 15 118.973 0.030 . 1 . . . . 134 ILE N . 17526 1 1250 . 1 1 135 135 ARG H H 1 8.418 0.010 . 1 . . . . 135 ARG H . 17526 1 1251 . 1 1 135 135 ARG HA H 1 4.953 0.000 . 1 . . . . 135 ARG HA . 17526 1 1252 . 1 1 135 135 ARG CA C 13 52.829 0.079 . 1 . . . . 135 ARG CA . 17526 1 1253 . 1 1 135 135 ARG CB C 13 31.624 0.000 . 1 . . . . 135 ARG CB . 17526 1 1254 . 1 1 135 135 ARG N N 15 117.424 0.025 . 1 . . . . 135 ARG N . 17526 1 1255 . 1 1 136 136 PRO HA H 1 4.684 0.002 . 1 . . . . 136 PRO HA . 17526 1 1256 . 1 1 136 136 PRO HB2 H 1 1.833 0.000 . 2 . . . . 136 PRO HB2 . 17526 1 1257 . 1 1 136 136 PRO HB3 H 1 1.948 0.000 . 2 . . . . 136 PRO HB3 . 17526 1 1258 . 1 1 136 136 PRO CA C 13 64.496 0.054 . 1 . . . . 136 PRO CA . 17526 1 1259 . 1 1 136 136 PRO CB C 13 31.646 0.000 . 1 . . . . 136 PRO CB . 17526 1 1260 . 1 1 136 136 PRO CG C 13 27.077 0.000 . 1 . . . . 136 PRO CG . 17526 1 1261 . 1 1 136 136 PRO CD C 13 49.891 0.000 . 1 . . . . 136 PRO CD . 17526 1 1262 . 1 1 136 136 PRO N N 15 117.357 0.000 . 1 . . . . 136 PRO N . 17526 1 1263 . 1 1 137 137 ASN H H 1 8.192 0.007 . 1 . . . . 137 ASN H . 17526 1 1264 . 1 1 137 137 ASN HA H 1 4.453 0.000 . 1 . . . . 137 ASN HA . 17526 1 1265 . 1 1 137 137 ASN HB2 H 1 2.811 0.000 . 1 . . . . 137 ASN HB2 . 17526 1 1266 . 1 1 137 137 ASN HB3 H 1 2.811 0.000 . 1 . . . . 137 ASN HB3 . 17526 1 1267 . 1 1 137 137 ASN CA C 13 52.748 0.074 . 1 . . . . 137 ASN CA . 17526 1 1268 . 1 1 137 137 ASN CB C 13 37.250 0.058 . 1 . . . . 137 ASN CB . 17526 1 1269 . 1 1 137 137 ASN N N 15 113.402 0.009 . 1 . . . . 137 ASN N . 17526 1 1270 . 1 1 138 138 LYS H H 1 8.376 0.011 . 1 . . . . 138 LYS H . 17526 1 1271 . 1 1 138 138 LYS HA H 1 2.883 0.000 . 1 . . . . 138 LYS HA . 17526 1 1272 . 1 1 138 138 LYS HB2 H 1 1.529 0.000 . 1 . . . . 138 LYS HB2 . 17526 1 1273 . 1 1 138 138 LYS HB3 H 1 1.529 0.000 . 1 . . . . 138 LYS HB3 . 17526 1 1274 . 1 1 138 138 LYS HG2 H 1 0.821 0.000 . 1 . . . . 138 LYS HG2 . 17526 1 1275 . 1 1 138 138 LYS HG3 H 1 0.821 0.000 . 1 . . . . 138 LYS HG3 . 17526 1 1276 . 1 1 138 138 LYS HD2 H 1 1.106 0.000 . 1 . . . . 138 LYS HD2 . 17526 1 1277 . 1 1 138 138 LYS HD3 H 1 1.106 0.000 . 1 . . . . 138 LYS HD3 . 17526 1 1278 . 1 1 138 138 LYS CA C 13 57.045 0.035 . 1 . . . . 138 LYS CA . 17526 1 1279 . 1 1 138 138 LYS CB C 13 29.584 0.094 . 1 . . . . 138 LYS CB . 17526 1 1280 . 1 1 138 138 LYS CG C 13 24.526 0.000 . 1 . . . . 138 LYS CG . 17526 1 1281 . 1 1 138 138 LYS CE C 13 41.720 0.000 . 1 . . . . 138 LYS CE . 17526 1 1282 . 1 1 138 138 LYS N N 15 115.188 0.022 . 1 . . . . 138 LYS N . 17526 1 1283 . 1 1 139 139 LYS H H 1 6.828 0.011 . 1 . . . . 139 LYS H . 17526 1 1284 . 1 1 139 139 LYS N N 15 120.656 0.021 . 1 . . . . 139 LYS N . 17526 1 stop_ save_