data_17257 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 17257 _Entry.Title ; NMR structure of the Xanthomonas VirB7 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2010-10-15 _Entry.Accession_date 2010-10-15 _Entry.Last_release_date 2011-05-19 _Entry.Original_release_date 2011-05-19 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.9.13 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _Entry.Details 'Solution structure of the VirB7 protein coded by the Xanthomonas Type IV Secretion System' _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 Diorge Souza . P. . 17257 2 Chuck Farah . S. . 17257 3 Roberto Salinas . K. . 17257 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID . 'not applicable' 'not applicable' . 17257 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . USP . 17257 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'N0 domain' . 17257 'NMR structure' . 17257 VirB7 . 17257 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 17257 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 518 17257 '15N chemical shifts' 122 17257 '1H chemical shifts' 804 17257 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2011-05-19 2010-10-15 original author . 17257 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2L4W 'BMRB Entry Tracking System' 17257 PDB 3OV5 'Entry containing the x-ray crystal structure for the XAC2622 globular domain' 17257 stop_ save_ ############### # Citations # ############### save_Citation_1 _Citation.Sf_category citations _Citation.Sf_framecode Citation_1 _Citation.Entry_ID 17257 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 21589901 _Citation.Full_citation . _Citation.Title 'A Component of the Xanthomonadaceae Type IV Secretion System Combines a VirB7 Motif with a N0 Domain Found in Outer Membrane Transport Proteins.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'PLoS Pathog.' _Citation.Journal_name_full 'PLoS pathogens' _Citation.Journal_volume 7 _Citation.Journal_issue 5 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year 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 Diorge Souza . P. . 17257 1 2 Maxuel Andrade . O. . 17257 1 3 Cristina Alvarez-Martinez . E. . 17257 1 4 Guilherme Arantes . M. . 17257 1 5 Chuck Farah . S. . 17257 1 6 Roberto Salinas . K. . 17257 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID NMR 17257 1 T4SS 17257 1 VirB7 17257 1 Xanthomonas 17257 1 'X-ray crystallography' 17257 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 17257 _Assembly.ID 1 _Assembly.Name 'VirB7-Xac2622 monomer' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _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 12871.521 _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'VirB7-Xac2622 monomer' 1 $VirB7-Xac2622 A . yes native no no . . . 17257 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_VirB7-Xac2622 _Entity.Sf_category entity _Entity.Sf_framecode VirB7-Xac2622 _Entity.Entry_ID 17257 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name VirB7-Xac2622 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GSHMTKPAPDFGGRWKHVNH FDEAPTEIPLYTSYTYQATP MDGTLKTMLERWAADSNMQL SYNLPSDYTLIGPVSAISTT SVQQAATELSAVYAAQGVSV SVSANKLLVQPVPVSSGAKL ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details 'The first four residues (20-23) are derived from the non-native affinity tag. Residues 24-139 correspond to the predicted soluble region of VirB7-Xac2622. The native protein would be anchored via a lipidated cys residue at position 22. The native residues 1-23 are not present in this construct.' _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 120 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment VirB7-Xac2622/24-139. _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 12871.521 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 2L4W . "Nmr Structure Of The Xanthomonas Virb7" . . . . . 100.00 120 100.00 100.00 3.92e-81 . . . . 17257 1 2 no PDB 3OV5 . "Atomic Structure Of The Xanthomonas Citri Virb7 Globular Domain" . . . . . 70.00 85 100.00 100.00 7.47e-50 . . . . 17257 1 3 no EMBL CAJ24488 . "putative secreted protein [Xanthomonas campestris pv. vesicatoria str. 85-10]" . . . . . 100.00 136 97.50 98.33 9.22e-79 . . . . 17257 1 4 no EMBL CCF70408 . "putative secreted protein [Xanthomonas axonopodis pv. punicae str. LMG 859]" . . . . . 100.00 136 97.50 98.33 9.22e-79 . . . . 17257 1 5 no EMBL CCG39329 . "putative secreted protein [Xanthomonas citri pv. mangiferaeindicae LMG 941]" . . . . . 100.00 139 97.50 98.33 1.66e-78 . . . . 17257 1 6 no EMBL CDF62143 . "VirB7 protein, type IV secretion system [Xanthomonas fuscans subsp. fuscans]" . . . . . 100.00 139 97.50 98.33 1.66e-78 . . . . 17257 1 7 no EMBL CDN21695 . "putative secreted protein [Xanthomonas campestris pv. viticola]" . . . . . 100.00 136 97.50 98.33 9.22e-79 . . . . 17257 1 8 no GB AAM37471 . "conserved hypothetical protein [Xanthomonas axonopodis pv. citri str. 306]" . . . . . 100.00 139 97.50 98.33 1.66e-78 . . . . 17257 1 9 no GB AGH78108 . "hypothetical protein XAC29_13360 [Xanthomonas axonopodis Xac29-1]" . . . . . 100.00 136 97.50 98.33 9.22e-79 . . . . 17257 1 10 no GB AGI08427 . "Hypothetical Protein XCAW_02646 [Xanthomonas citri subsp. citri Aw12879]" . . . . . 100.00 136 97.50 98.33 9.22e-79 . . . . 17257 1 11 no GB AJD69220 . "hypothetical protein J151_02804 [Xanthomonas citri subsp. citri A306]" . . . . . 100.00 136 97.50 98.33 9.22e-79 . . . . 17257 1 12 no GB AJY82742 . "Toxin co-regulated pilus biosynthesis protein Q [Xanthomonas citri subsp. citri]" . . . . . 100.00 136 97.50 98.33 9.22e-79 . . . . 17257 1 13 no REF WP_005914237 . "MULTISPECIES: hypothetical protein [Xanthomonas]" . . . . . 100.00 136 97.50 98.33 9.22e-79 . . . . 17257 1 14 no REF WP_033836637 . "hypothetical protein [Xanthomonas citri]" . . . . . 100.00 136 97.50 98.33 1.09e-78 . . . . 17257 1 15 no REF WP_039430902 . "hypothetical protein [Xanthomonas vasicola]" . . . . . 100.00 136 97.50 98.33 1.85e-78 . . . . 17257 1 16 no REF WP_042598437 . "hypothetical protein [Xanthomonas campestris]" . . . . . 96.67 136 99.14 99.14 1.92e-77 . . . . 17257 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'Component of the Type IV Secretion System; Protein transport' 17257 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 20 GLY . 17257 1 2 21 SER . 17257 1 3 22 HIS . 17257 1 4 23 MET . 17257 1 5 24 THR . 17257 1 6 25 LYS . 17257 1 7 26 PRO . 17257 1 8 27 ALA . 17257 1 9 28 PRO . 17257 1 10 29 ASP . 17257 1 11 30 PHE . 17257 1 12 31 GLY . 17257 1 13 32 GLY . 17257 1 14 33 ARG . 17257 1 15 34 TRP . 17257 1 16 35 LYS . 17257 1 17 36 HIS . 17257 1 18 37 VAL . 17257 1 19 38 ASN . 17257 1 20 39 HIS . 17257 1 21 40 PHE . 17257 1 22 41 ASP . 17257 1 23 42 GLU . 17257 1 24 43 ALA . 17257 1 25 44 PRO . 17257 1 26 45 THR . 17257 1 27 46 GLU . 17257 1 28 47 ILE . 17257 1 29 48 PRO . 17257 1 30 49 LEU . 17257 1 31 50 TYR . 17257 1 32 51 THR . 17257 1 33 52 SER . 17257 1 34 53 TYR . 17257 1 35 54 THR . 17257 1 36 55 TYR . 17257 1 37 56 GLN . 17257 1 38 57 ALA . 17257 1 39 58 THR . 17257 1 40 59 PRO . 17257 1 41 60 MET . 17257 1 42 61 ASP . 17257 1 43 62 GLY . 17257 1 44 63 THR . 17257 1 45 64 LEU . 17257 1 46 65 LYS . 17257 1 47 66 THR . 17257 1 48 67 MET . 17257 1 49 68 LEU . 17257 1 50 69 GLU . 17257 1 51 70 ARG . 17257 1 52 71 TRP . 17257 1 53 72 ALA . 17257 1 54 73 ALA . 17257 1 55 74 ASP . 17257 1 56 75 SER . 17257 1 57 76 ASN . 17257 1 58 77 MET . 17257 1 59 78 GLN . 17257 1 60 79 LEU . 17257 1 61 80 SER . 17257 1 62 81 TYR . 17257 1 63 82 ASN . 17257 1 64 83 LEU . 17257 1 65 84 PRO . 17257 1 66 85 SER . 17257 1 67 86 ASP . 17257 1 68 87 TYR . 17257 1 69 88 THR . 17257 1 70 89 LEU . 17257 1 71 90 ILE . 17257 1 72 91 GLY . 17257 1 73 92 PRO . 17257 1 74 93 VAL . 17257 1 75 94 SER . 17257 1 76 95 ALA . 17257 1 77 96 ILE . 17257 1 78 97 SER . 17257 1 79 98 THR . 17257 1 80 99 THR . 17257 1 81 100 SER . 17257 1 82 101 VAL . 17257 1 83 102 GLN . 17257 1 84 103 GLN . 17257 1 85 104 ALA . 17257 1 86 105 ALA . 17257 1 87 106 THR . 17257 1 88 107 GLU . 17257 1 89 108 LEU . 17257 1 90 109 SER . 17257 1 91 110 ALA . 17257 1 92 111 VAL . 17257 1 93 112 TYR . 17257 1 94 113 ALA . 17257 1 95 114 ALA . 17257 1 96 115 GLN . 17257 1 97 116 GLY . 17257 1 98 117 VAL . 17257 1 99 118 SER . 17257 1 100 119 VAL . 17257 1 101 120 SER . 17257 1 102 121 VAL . 17257 1 103 122 SER . 17257 1 104 123 ALA . 17257 1 105 124 ASN . 17257 1 106 125 LYS . 17257 1 107 126 LEU . 17257 1 108 127 LEU . 17257 1 109 128 VAL . 17257 1 110 129 GLN . 17257 1 111 130 PRO . 17257 1 112 131 VAL . 17257 1 113 132 PRO . 17257 1 114 133 VAL . 17257 1 115 134 SER . 17257 1 116 135 SER . 17257 1 117 136 GLY . 17257 1 118 137 ALA . 17257 1 119 138 LYS . 17257 1 120 139 LEU . 17257 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 17257 1 . SER 2 2 17257 1 . HIS 3 3 17257 1 . MET 4 4 17257 1 . THR 5 5 17257 1 . LYS 6 6 17257 1 . PRO 7 7 17257 1 . ALA 8 8 17257 1 . PRO 9 9 17257 1 . ASP 10 10 17257 1 . PHE 11 11 17257 1 . GLY 12 12 17257 1 . GLY 13 13 17257 1 . ARG 14 14 17257 1 . TRP 15 15 17257 1 . LYS 16 16 17257 1 . HIS 17 17 17257 1 . VAL 18 18 17257 1 . ASN 19 19 17257 1 . HIS 20 20 17257 1 . PHE 21 21 17257 1 . ASP 22 22 17257 1 . GLU 23 23 17257 1 . ALA 24 24 17257 1 . PRO 25 25 17257 1 . THR 26 26 17257 1 . GLU 27 27 17257 1 . ILE 28 28 17257 1 . PRO 29 29 17257 1 . LEU 30 30 17257 1 . TYR 31 31 17257 1 . THR 32 32 17257 1 . SER 33 33 17257 1 . TYR 34 34 17257 1 . THR 35 35 17257 1 . TYR 36 36 17257 1 . GLN 37 37 17257 1 . ALA 38 38 17257 1 . THR 39 39 17257 1 . PRO 40 40 17257 1 . MET 41 41 17257 1 . ASP 42 42 17257 1 . GLY 43 43 17257 1 . THR 44 44 17257 1 . LEU 45 45 17257 1 . LYS 46 46 17257 1 . THR 47 47 17257 1 . MET 48 48 17257 1 . LEU 49 49 17257 1 . GLU 50 50 17257 1 . ARG 51 51 17257 1 . TRP 52 52 17257 1 . ALA 53 53 17257 1 . ALA 54 54 17257 1 . ASP 55 55 17257 1 . SER 56 56 17257 1 . ASN 57 57 17257 1 . MET 58 58 17257 1 . GLN 59 59 17257 1 . LEU 60 60 17257 1 . SER 61 61 17257 1 . TYR 62 62 17257 1 . ASN 63 63 17257 1 . LEU 64 64 17257 1 . PRO 65 65 17257 1 . SER 66 66 17257 1 . ASP 67 67 17257 1 . TYR 68 68 17257 1 . THR 69 69 17257 1 . LEU 70 70 17257 1 . ILE 71 71 17257 1 . GLY 72 72 17257 1 . PRO 73 73 17257 1 . VAL 74 74 17257 1 . SER 75 75 17257 1 . ALA 76 76 17257 1 . ILE 77 77 17257 1 . SER 78 78 17257 1 . THR 79 79 17257 1 . THR 80 80 17257 1 . SER 81 81 17257 1 . VAL 82 82 17257 1 . GLN 83 83 17257 1 . GLN 84 84 17257 1 . ALA 85 85 17257 1 . ALA 86 86 17257 1 . THR 87 87 17257 1 . GLU 88 88 17257 1 . LEU 89 89 17257 1 . SER 90 90 17257 1 . ALA 91 91 17257 1 . VAL 92 92 17257 1 . TYR 93 93 17257 1 . ALA 94 94 17257 1 . ALA 95 95 17257 1 . GLN 96 96 17257 1 . GLY 97 97 17257 1 . VAL 98 98 17257 1 . SER 99 99 17257 1 . VAL 100 100 17257 1 . SER 101 101 17257 1 . VAL 102 102 17257 1 . SER 103 103 17257 1 . ALA 104 104 17257 1 . ASN 105 105 17257 1 . LYS 106 106 17257 1 . LEU 107 107 17257 1 . LEU 108 108 17257 1 . VAL 109 109 17257 1 . GLN 110 110 17257 1 . PRO 111 111 17257 1 . VAL 112 112 17257 1 . PRO 113 113 17257 1 . VAL 114 114 17257 1 . SER 115 115 17257 1 . SER 116 116 17257 1 . GLY 117 117 17257 1 . ALA 118 118 17257 1 . LYS 119 119 17257 1 . LEU 120 120 17257 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 17257 _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 $VirB7-Xac2622 . 92829 organism . 'Xanthomonas axonopodis pv. citri' 'Xanthomonas axonopodis pv. citri' . . bacteria . Xanthomonas axonopodis 306 . . . . . . . . . . . . . . . xac2622 . . . . 17257 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 17257 _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 $VirB7-Xac2622 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21(DE3)RP . . . . . . . . . . . . . . . pET28a . . . . . . 17257 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 17257 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details ; 10mM deuterated sodium acetate buffer pH 5.0 50mM NaCl ; _Sample.Aggregate_sample_number . _Sample.Solvent_system '93% H2O/7% 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 'VirB7 - Xac2622' '[U-99% 13C; U-99% 15N]' . . 1 $VirB7-Xac2622 . . 0.2 . . mM . . . . 17257 1 2 'sodium acetate' '[U-99% 2H]' . . . . . . 10 . . mM . . . . 17257 1 3 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 17257 1 4 H2O 'natural abundance' . . . . . . 93 . . % . . . . 17257 1 5 D2O 'natural abundance' . . . . . . 7 . . % . . . . 17257 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 17257 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details ; 10mM deuterated sodium acetate buffer pH 5.0 50mM NaCl ; _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'VirB7 - Xac2622' '[U-99% 13C; U-99% 15N]' . . 1 $VirB7-Xac2622 . . 0.2 . . mM . . . . 17257 2 2 'sodium acetate' '[U-99% 2H]' . . . . . . 10 . . mM . . . . 17257 2 3 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 17257 2 4 D2O 'natural abundance' . . . . . . 100 . . % . . . . 17257 2 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 17257 _Sample_condition_list.ID 1 _Sample_condition_list.Details ; 10mM deuterated sodium acetate buffer pH 5.0 50mM NaCl ; 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' 0.06 . M 17257 1 pH 5.0 . pH 17257 1 pressure 1 . atm 17257 1 temperature 313 . K 17257 1 stop_ save_ save_sample_conditions_2 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_2 _Sample_condition_list.Entry_ID 17257 _Sample_condition_list.ID 2 _Sample_condition_list.Details ; 10mM deuterated sodium acetate buffer pH 5.0 50mM NaCl 5% C12E5/hexanol r=0.96 ; 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' 0.06 . M 17257 2 pH 5.0 . pH 17257 2 pressure 1 . atm 17257 2 temperature 303 . K 17257 2 stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 17257 _Software.ID 1 _Software.Name NMRPipe _Software.Version 97.027.12.56 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 17257 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 17257 1 stop_ save_ save_CCPNMR_Analysis _Software.Sf_category software _Software.Sf_framecode CCPNMR_Analysis _Software.Entry_ID 17257 _Software.ID 2 _Software.Name ANALYSIS _Software.Version 'Version 1.0. Release 15' _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID CCPN . . 17257 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 17257 2 'peak picking' 17257 2 stop_ save_ save_TALOS _Software.Sf_category software _Software.Sf_framecode TALOS _Software.Entry_ID 17257 _Software.ID 3 _Software.Name TALOS _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Cornilescu, Delaglio and Bax' . . 17257 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'dihedral angle prediction' 17257 3 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 17257 _Software.ID 4 _Software.Name CYANA _Software.Version 2.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 17257 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 17257 4 stop_ save_ save_HADDOCK _Software.Sf_category software _Software.Sf_framecode HADDOCK _Software.Entry_ID 17257 _Software.ID 5 _Software.Name HADDOCK _Software.Version 2.0 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Cyril Dominguez, Rolf Boelens and Alexandre M.J.J. Bonvin' 'NMR Spectroscopy Research Group, The Bijvoet Center for Biomolecular Research, Utrecht University, Netherlands.' http://www.nmr.chem.uu.nl/haddock/ 17257 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 17257 5 stop_ save_ save_Pales _Software.Sf_category software _Software.Sf_framecode Pales _Software.Entry_ID 17257 _Software.ID 6 _Software.Name PALES _Software.Version 2.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Markus Zweckstetter, Ad Bax' ; National Institutes of Health (NIH) 9000 Rockville Pike Bethesda, Maryland 20892 ; http://spin.niddk.nih.gov/bax/ 17257 6 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'RDC data analysis' 17257 6 stop_ save_ save_MODULE2 _Software.Sf_category software _Software.Sf_framecode MODULE2 _Software.Entry_ID 17257 _Software.ID 7 _Software.Name MODULE2 _Software.Version 2 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Patrice Dosset, Martin Blackledge' 'Institut de Biologie Structurale, Grenoble, France' http://www.ibs.fr/content/ibs_eng/presentation/lab/lrmn/ 17257 7 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'RDC data analysis' 17257 7 stop_ save_ save_NMRDraw _Software.Sf_category software _Software.Sf_framecode NMRDraw _Software.Entry_ID 17257 _Software.ID 8 _Software.Name NMRDraw _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 17257 8 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 17257 8 stop_ save_ save_CNS _Software.Sf_category software _Software.Sf_framecode CNS _Software.Entry_ID 17257 _Software.ID 9 _Software.Name CNS _Software.Version 1.2 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Brunger, Adams, Clore, Gros, Nilges and Read' . . 17257 9 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 17257 9 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 17257 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details 'Bruker DRX 500 MHZ, Institute of Chemistry, University of Sao Paulo, Sao Paulo - Brazil' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 17257 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details 'Varian Unity INOVA 600 MHz with Cold probe at The Brazilian Synchrotron Light Laboratory (LNLS), Campinas - Brazil' _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_3 _NMR_spectrometer.Entry_ID 17257 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details 'Bruker Avance III 800MHz, Centro Nacional de Ressonancia Magnetica Nuclear Jiri Jonas (CNRMN), Federal University of Rio de Janeiro, Rio de Janeiro - Brazil' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 17257 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker DRX . 500 'Bruker DRX 500 MHZ, Institute of Chemistry, University of Sao Paulo, Sao Paulo - Brazil' . . 17257 1 2 spectrometer_2 Varian INOVA . 600 'Varian Unity INOVA 600 MHz with Cold probe at The Brazilian Synchrotron Light Laboratory (LNLS), Campinas - Brazil' . . 17257 1 3 spectrometer_3 Bruker Avance . 800 'Bruker Avance III 800MHz, Centro Nacional de Ressonancia Magnetica Nuclear Jiri Jonas (CNRMN), Federal University of Rio de Janeiro, Rio de Janeiro - Brazil' . . 17257 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 17257 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 17257 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 17257 1 3 '2D 1H-1H TOCSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17257 1 4 '2D 1H-1H NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 17257 1 5 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17257 1 6 '3D HN(CA)CO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 17257 1 7 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17257 1 8 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17257 1 9 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 17257 1 10 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 17257 1 11 '2D 1H-1H NOESY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17257 1 12 '3D C(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 17257 1 13 '3D HBHA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 17257 1 14 '3D H(CCO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 17257 1 15 '3D HCCH-TOCSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 17257 1 16 '3D HNHA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 17257 1 17 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 17257 1 18 '3D 1H-15N TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 17257 1 19 '3D 1H-13C NOESY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 17257 1 20 '2D 1H-15N HSQC J-modulated' no . . . . . . . . . . 1 $sample_1 anisotropic . . 2 $sample_conditions_2 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17257 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 17257 _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 1.0 na indirect 0.251449530 . . . . . . . . . 17257 1 H 1 water protons . . . . ppm 4.630 internal direct 1.0 . . . . . . . . . 17257 1 N 15 water protons . . . . ppm 1.0 na indirect 0.101329118 . . . . . . . . . 17257 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 17257 _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 'The chemical shift errors are given as standard deviations of the chemical shift measurements for a given nuclei in all spectra' _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 17257 1 2 '2D 1H-13C HSQC' . . . 17257 1 3 '2D 1H-1H TOCSY' . . . 17257 1 4 '2D 1H-1H NOESY' . . . 17257 1 5 '3D HNCO' . . . 17257 1 6 '3D HN(CA)CO' . . . 17257 1 7 '3D HNCA' . . . 17257 1 8 '3D HN(CO)CA' . . . 17257 1 9 '3D HNCACB' . . . 17257 1 10 '3D CBCA(CO)NH' . . . 17257 1 11 '2D 1H-1H NOESY' . . . 17257 1 12 '3D C(CO)NH' . . . 17257 1 13 '3D HBHA(CO)NH' . . . 17257 1 14 '3D H(CCO)NH' . . . 17257 1 15 '3D HCCH-TOCSY' . . . 17257 1 16 '3D HNHA' . . . 17257 1 17 '3D 1H-15N NOESY' . . . 17257 1 18 '3D 1H-15N TOCSY' . . . 17257 1 19 '3D 1H-13C NOESY' . . . 17257 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 2 $CCPNMR_Analysis . . 17257 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 HIS HA H 1 4.749 0.005 . 1 . . . . 22 HIS HA . 17257 1 2 . 1 1 3 3 HIS HB2 H 1 3.173 0.003 . 2 . . . . 22 HIS HB2 . 17257 1 3 . 1 1 3 3 HIS HB3 H 1 3.286 0.002 . 2 . . . . 22 HIS HB3 . 17257 1 4 . 1 1 3 3 HIS C C 13 174.273 0.000 . 1 . . . . 22 HIS C . 17257 1 5 . 1 1 3 3 HIS CA C 13 55.550 0.001 . 1 . . . . 22 HIS CA . 17257 1 6 . 1 1 3 3 HIS CB C 13 29.326 0.033 . 1 . . . . 22 HIS CB . 17257 1 7 . 1 1 4 4 MET H H 1 8.380 0.000 . 1 . . . . 23 MET H . 17257 1 8 . 1 1 4 4 MET HA H 1 4.540 0.001 . 1 . . . . 23 MET HA . 17257 1 9 . 1 1 4 4 MET HB2 H 1 2.002 0.001 . 2 . . . . 23 MET HB2 . 17257 1 10 . 1 1 4 4 MET HB3 H 1 2.089 0.006 . 2 . . . . 23 MET HB3 . 17257 1 11 . 1 1 4 4 MET HG2 H 1 2.514 0.005 . 2 . . . . 23 MET HG2 . 17257 1 12 . 1 1 4 4 MET HG3 H 1 2.566 0.002 . 2 . . . . 23 MET HG3 . 17257 1 13 . 1 1 4 4 MET C C 13 176.034 0.005 . 1 . . . . 23 MET C . 17257 1 14 . 1 1 4 4 MET CA C 13 55.646 0.023 . 1 . . . . 23 MET CA . 17257 1 15 . 1 1 4 4 MET CB C 13 33.204 0.007 . 1 . . . . 23 MET CB . 17257 1 16 . 1 1 4 4 MET CG C 13 31.995 0.017 . 1 . . . . 23 MET CG . 17257 1 17 . 1 1 4 4 MET N N 15 121.992 0.000 . 1 . . . . 23 MET N . 17257 1 18 . 1 1 5 5 THR H H 1 8.172 0.000 . 1 . . . . 24 THR H . 17257 1 19 . 1 1 5 5 THR HA H 1 4.330 0.006 . 1 . . . . 24 THR HA . 17257 1 20 . 1 1 5 5 THR HB H 1 4.164 0.005 . 1 . . . . 24 THR HB . 17257 1 21 . 1 1 5 5 THR HG21 H 1 1.198 0.005 . 1 . . . . 24 THR MG . 17257 1 22 . 1 1 5 5 THR HG22 H 1 1.198 0.005 . 1 . . . . 24 THR MG . 17257 1 23 . 1 1 5 5 THR HG23 H 1 1.198 0.005 . 1 . . . . 24 THR MG . 17257 1 24 . 1 1 5 5 THR C C 13 173.980 0.007 . 1 . . . . 24 THR C . 17257 1 25 . 1 1 5 5 THR CA C 13 61.861 0.044 . 1 . . . . 24 THR CA . 17257 1 26 . 1 1 5 5 THR CB C 13 69.885 0.043 . 1 . . . . 24 THR CB . 17257 1 27 . 1 1 5 5 THR CG2 C 13 21.731 0.000 . 1 . . . . 24 THR CG2 . 17257 1 28 . 1 1 5 5 THR N N 15 116.332 0.000 . 1 . . . . 24 THR N . 17257 1 29 . 1 1 6 6 LYS H H 1 8.218 0.001 . 1 . . . . 25 LYS H . 17257 1 30 . 1 1 6 6 LYS HA H 1 4.630 0.001 . 1 . . . . 25 LYS HA . 17257 1 31 . 1 1 6 6 LYS HB2 H 1 1.717 0.006 . 2 . . . . 25 LYS HB2 . 17257 1 32 . 1 1 6 6 LYS HB3 H 1 1.825 0.002 . 2 . . . . 25 LYS HB3 . 17257 1 33 . 1 1 6 6 LYS HE2 H 1 3.006 0.002 . 2 . . . . 25 LYS HE2 . 17257 1 34 . 1 1 6 6 LYS HE3 H 1 3.006 0.002 . 2 . . . . 25 LYS HE3 . 17257 1 35 . 1 1 6 6 LYS HG2 H 1 1.467 0.000 . 2 . . . . 25 LYS HG2 . 17257 1 36 . 1 1 6 6 LYS HG3 H 1 1.467 0.000 . 2 . . . . 25 LYS HG3 . 17257 1 37 . 1 1 6 6 LYS C C 13 174.144 0.000 . 1 . . . . 25 LYS C . 17257 1 38 . 1 1 6 6 LYS CA C 13 54.133 0.000 . 1 . . . . 25 LYS CA . 17257 1 39 . 1 1 6 6 LYS CB C 13 32.871 0.000 . 1 . . . . 25 LYS CB . 17257 1 40 . 1 1 6 6 LYS CE C 13 41.983 0.000 . 1 . . . . 25 LYS CE . 17257 1 41 . 1 1 6 6 LYS CG C 13 24.286 0.000 . 1 . . . . 25 LYS CG . 17257 1 42 . 1 1 6 6 LYS N N 15 124.791 0.029 . 1 . . . . 25 LYS N . 17257 1 43 . 1 1 7 7 PRO HA H 1 4.392 0.003 . 1 . . . . 26 PRO HA . 17257 1 44 . 1 1 7 7 PRO HB2 H 1 1.870 0.007 . 2 . . . . 26 PRO HB2 . 17257 1 45 . 1 1 7 7 PRO HB3 H 1 2.231 0.008 . 2 . . . . 26 PRO HB3 . 17257 1 46 . 1 1 7 7 PRO HD2 H 1 3.618 0.004 . 2 . . . . 26 PRO HD2 . 17257 1 47 . 1 1 7 7 PRO HD3 H 1 3.795 0.004 . 2 . . . . 26 PRO HD3 . 17257 1 48 . 1 1 7 7 PRO HG2 H 1 1.974 0.009 . 2 . . . . 26 PRO HG2 . 17257 1 49 . 1 1 7 7 PRO HG3 H 1 1.974 0.009 . 2 . . . . 26 PRO HG3 . 17257 1 50 . 1 1 7 7 PRO C C 13 176.085 0.009 . 1 . . . . 26 PRO C . 17257 1 51 . 1 1 7 7 PRO CA C 13 62.925 0.006 . 1 . . . . 26 PRO CA . 17257 1 52 . 1 1 7 7 PRO CB C 13 32.102 0.021 . 1 . . . . 26 PRO CB . 17257 1 53 . 1 1 7 7 PRO CD C 13 50.821 0.000 . 1 . . . . 26 PRO CD . 17257 1 54 . 1 1 7 7 PRO CG C 13 27.281 0.000 . 1 . . . . 26 PRO CG . 17257 1 55 . 1 1 8 8 ALA H H 1 8.207 0.001 . 1 . . . . 27 ALA H . 17257 1 56 . 1 1 8 8 ALA HA H 1 4.578 0.003 . 1 . . . . 27 ALA HA . 17257 1 57 . 1 1 8 8 ALA HB1 H 1 1.374 0.003 . 1 . . . . 27 ALA MB . 17257 1 58 . 1 1 8 8 ALA HB2 H 1 1.374 0.003 . 1 . . . . 27 ALA MB . 17257 1 59 . 1 1 8 8 ALA HB3 H 1 1.374 0.003 . 1 . . . . 27 ALA MB . 17257 1 60 . 1 1 8 8 ALA C C 13 175.617 0.000 . 1 . . . . 27 ALA C . 17257 1 61 . 1 1 8 8 ALA CA C 13 50.338 0.000 . 1 . . . . 27 ALA CA . 17257 1 62 . 1 1 8 8 ALA CB C 13 18.406 0.000 . 1 . . . . 27 ALA CB . 17257 1 63 . 1 1 8 8 ALA N N 15 125.233 0.003 . 1 . . . . 27 ALA N . 17257 1 64 . 1 1 9 9 PRO HA H 1 4.305 0.002 . 1 . . . . 28 PRO HA . 17257 1 65 . 1 1 9 9 PRO HB2 H 1 1.654 0.003 . 2 . . . . 28 PRO HB2 . 17257 1 66 . 1 1 9 9 PRO HB3 H 1 2.124 0.006 . 2 . . . . 28 PRO HB3 . 17257 1 67 . 1 1 9 9 PRO HD2 H 1 3.610 0.002 . 2 . . . . 28 PRO HD2 . 17257 1 68 . 1 1 9 9 PRO HD3 H 1 3.746 0.004 . 2 . . . . 28 PRO HD3 . 17257 1 69 . 1 1 9 9 PRO HG2 H 1 1.946 0.003 . 2 . . . . 28 PRO HG2 . 17257 1 70 . 1 1 9 9 PRO HG3 H 1 1.946 0.003 . 2 . . . . 28 PRO HG3 . 17257 1 71 . 1 1 9 9 PRO C C 13 176.198 0.000 . 1 . . . . 28 PRO C . 17257 1 72 . 1 1 9 9 PRO CA C 13 63.162 0.010 . 1 . . . . 28 PRO CA . 17257 1 73 . 1 1 9 9 PRO CB C 13 31.932 0.015 . 1 . . . . 28 PRO CB . 17257 1 74 . 1 1 9 9 PRO CD C 13 50.525 0.039 . 1 . . . . 28 PRO CD . 17257 1 75 . 1 1 9 9 PRO CG C 13 27.411 0.011 . 1 . . . . 28 PRO CG . 17257 1 76 . 1 1 10 10 ASP H H 1 8.140 0.001 . 1 . . . . 29 ASP H . 17257 1 77 . 1 1 10 10 ASP HA H 1 4.559 0.004 . 1 . . . . 29 ASP HA . 17257 1 78 . 1 1 10 10 ASP HB2 H 1 2.607 0.003 . 2 . . . . 29 ASP HB2 . 17257 1 79 . 1 1 10 10 ASP HB3 H 1 2.607 0.003 . 2 . . . . 29 ASP HB3 . 17257 1 80 . 1 1 10 10 ASP C C 13 176.240 0.001 . 1 . . . . 29 ASP C . 17257 1 81 . 1 1 10 10 ASP CA C 13 53.800 0.024 . 1 . . . . 29 ASP CA . 17257 1 82 . 1 1 10 10 ASP CB C 13 41.253 0.025 . 1 . . . . 29 ASP CB . 17257 1 83 . 1 1 10 10 ASP N N 15 119.342 0.009 . 1 . . . . 29 ASP N . 17257 1 84 . 1 1 11 11 PHE H H 1 8.159 0.001 . 1 . . . . 30 PHE H . 17257 1 85 . 1 1 11 11 PHE HA H 1 4.559 0.001 . 1 . . . . 30 PHE HA . 17257 1 86 . 1 1 11 11 PHE HB2 H 1 3.037 0.002 . 2 . . . . 30 PHE HB2 . 17257 1 87 . 1 1 11 11 PHE HB3 H 1 3.201 0.004 . 2 . . . . 30 PHE HB3 . 17257 1 88 . 1 1 11 11 PHE HD1 H 1 7.226 0.007 . 3 . . . . 30 PHE HD1 . 17257 1 89 . 1 1 11 11 PHE HD2 H 1 7.226 0.007 . 3 . . . . 30 PHE HD2 . 17257 1 90 . 1 1 11 11 PHE HE1 H 1 7.332 0.003 . 3 . . . . 30 PHE HE1 . 17257 1 91 . 1 1 11 11 PHE HE2 H 1 7.332 0.003 . 3 . . . . 30 PHE HE2 . 17257 1 92 . 1 1 11 11 PHE HZ H 1 7.288 0.000 . 1 . . . . 30 PHE HZ . 17257 1 93 . 1 1 11 11 PHE C C 13 176.605 0.008 . 1 . . . . 30 PHE C . 17257 1 94 . 1 1 11 11 PHE CA C 13 58.183 0.003 . 1 . . . . 30 PHE CA . 17257 1 95 . 1 1 11 11 PHE CB C 13 39.199 0.008 . 1 . . . . 30 PHE CB . 17257 1 96 . 1 1 11 11 PHE CD1 C 13 131.746 0.004 . 3 . . . . 30 PHE CD1 . 17257 1 97 . 1 1 11 11 PHE CD2 C 13 131.746 0.004 . 3 . . . . 30 PHE CD2 . 17257 1 98 . 1 1 11 11 PHE CE1 C 13 131.653 0.005 . 3 . . . . 30 PHE CE1 . 17257 1 99 . 1 1 11 11 PHE CE2 C 13 131.653 0.005 . 3 . . . . 30 PHE CE2 . 17257 1 100 . 1 1 11 11 PHE CZ C 13 129.842 0.000 . 1 . . . . 30 PHE CZ . 17257 1 101 . 1 1 11 11 PHE N N 15 121.113 0.061 . 1 . . . . 30 PHE N . 17257 1 102 . 1 1 12 12 GLY H H 1 8.401 0.001 . 1 . . . . 31 GLY H . 17257 1 103 . 1 1 12 12 GLY HA2 H 1 3.901 0.000 . 2 . . . . 31 GLY HA2 . 17257 1 104 . 1 1 12 12 GLY HA3 H 1 3.901 0.000 . 2 . . . . 31 GLY HA3 . 17257 1 105 . 1 1 12 12 GLY C C 13 174.866 0.008 . 1 . . . . 31 GLY C . 17257 1 106 . 1 1 12 12 GLY CA C 13 45.768 0.019 . 1 . . . . 31 GLY CA . 17257 1 107 . 1 1 12 12 GLY N N 15 109.792 0.026 . 1 . . . . 31 GLY N . 17257 1 108 . 1 1 13 13 GLY H H 1 7.955 0.001 . 1 . . . . 32 GLY H . 17257 1 109 . 1 1 13 13 GLY HA2 H 1 3.869 0.000 . 2 . . . . 32 GLY HA2 . 17257 1 110 . 1 1 13 13 GLY HA3 H 1 3.869 0.000 . 2 . . . . 32 GLY HA3 . 17257 1 111 . 1 1 13 13 GLY C C 13 174.626 0.009 . 1 . . . . 32 GLY C . 17257 1 112 . 1 1 13 13 GLY CA C 13 45.653 0.021 . 1 . . . . 32 GLY CA . 17257 1 113 . 1 1 13 13 GLY N N 15 108.244 0.002 . 1 . . . . 32 GLY N . 17257 1 114 . 1 1 14 14 ARG H H 1 8.028 0.003 . 1 . . . . 33 ARG H . 17257 1 115 . 1 1 14 14 ARG HA H 1 4.157 0.004 . 1 . . . . 33 ARG HA . 17257 1 116 . 1 1 14 14 ARG HB2 H 1 1.595 0.002 . 2 . . . . 33 ARG HB2 . 17257 1 117 . 1 1 14 14 ARG HB3 H 1 1.595 0.002 . 2 . . . . 33 ARG HB3 . 17257 1 118 . 1 1 14 14 ARG HD2 H 1 3.005 0.004 . 2 . . . . 33 ARG HD2 . 17257 1 119 . 1 1 14 14 ARG HD3 H 1 3.005 0.004 . 2 . . . . 33 ARG HD3 . 17257 1 120 . 1 1 14 14 ARG HE H 1 7.030 0.000 . 1 . . . . 33 ARG HE . 17257 1 121 . 1 1 14 14 ARG HG2 H 1 1.338 0.004 . 2 . . . . 33 ARG HG2 . 17257 1 122 . 1 1 14 14 ARG HG3 H 1 1.338 0.004 . 2 . . . . 33 ARG HG3 . 17257 1 123 . 1 1 14 14 ARG C C 13 176.274 0.011 . 1 . . . . 33 ARG C . 17257 1 124 . 1 1 14 14 ARG CA C 13 56.870 0.043 . 1 . . . . 33 ARG CA . 17257 1 125 . 1 1 14 14 ARG CB C 13 30.403 0.005 . 1 . . . . 33 ARG CB . 17257 1 126 . 1 1 14 14 ARG CD C 13 43.272 0.006 . 1 . . . . 33 ARG CD . 17257 1 127 . 1 1 14 14 ARG CG C 13 26.855 0.007 . 1 . . . . 33 ARG CG . 17257 1 128 . 1 1 14 14 ARG CZ C 13 159.496 0.000 . 1 . . . . 33 ARG CZ . 17257 1 129 . 1 1 14 14 ARG N N 15 120.324 0.024 . 1 . . . . 33 ARG N . 17257 1 130 . 1 1 14 14 ARG NE N 15 84.938 0.000 . 1 . . . . 33 ARG NE . 17257 1 131 . 1 1 15 15 TRP H H 1 7.945 0.004 . 1 . . . . 34 TRP H . 17257 1 132 . 1 1 15 15 TRP HA H 1 4.680 0.004 . 1 . . . . 34 TRP HA . 17257 1 133 . 1 1 15 15 TRP HB2 H 1 3.181 0.007 . 2 . . . . 34 TRP HB2 . 17257 1 134 . 1 1 15 15 TRP HB3 H 1 3.309 0.003 . 2 . . . . 34 TRP HB3 . 17257 1 135 . 1 1 15 15 TRP HD1 H 1 7.223 0.005 . 1 . . . . 34 TRP HD1 . 17257 1 136 . 1 1 15 15 TRP HE1 H 1 10.082 0.002 . 1 . . . . 34 TRP HE1 . 17257 1 137 . 1 1 15 15 TRP HE3 H 1 7.573 0.007 . 1 . . . . 34 TRP HE3 . 17257 1 138 . 1 1 15 15 TRP HH2 H 1 7.191 0.001 . 1 . . . . 34 TRP HH2 . 17257 1 139 . 1 1 15 15 TRP HZ2 H 1 7.456 0.004 . 1 . . . . 34 TRP HZ2 . 17257 1 140 . 1 1 15 15 TRP HZ3 H 1 7.097 0.003 . 1 . . . . 34 TRP HZ3 . 17257 1 141 . 1 1 15 15 TRP C C 13 176.029 0.004 . 1 . . . . 34 TRP C . 17257 1 142 . 1 1 15 15 TRP CA C 13 57.015 0.015 . 1 . . . . 34 TRP CA . 17257 1 143 . 1 1 15 15 TRP CB C 13 29.470 0.005 . 1 . . . . 34 TRP CB . 17257 1 144 . 1 1 15 15 TRP CD1 C 13 127.155 0.051 . 1 . . . . 34 TRP CD1 . 17257 1 145 . 1 1 15 15 TRP CE3 C 13 121.003 0.031 . 1 . . . . 34 TRP CE3 . 17257 1 146 . 1 1 15 15 TRP CH2 C 13 124.731 0.019 . 1 . . . . 34 TRP CH2 . 17257 1 147 . 1 1 15 15 TRP CZ2 C 13 114.591 0.011 . 1 . . . . 34 TRP CZ2 . 17257 1 148 . 1 1 15 15 TRP CZ3 C 13 122.025 0.079 . 1 . . . . 34 TRP CZ3 . 17257 1 149 . 1 1 15 15 TRP N N 15 119.939 0.015 . 1 . . . . 34 TRP N . 17257 1 150 . 1 1 15 15 TRP NE1 N 15 129.123 0.006 . 1 . . . . 34 TRP NE1 . 17257 1 151 . 1 1 16 16 LYS H H 1 7.849 0.005 . 1 . . . . 35 LYS H . 17257 1 152 . 1 1 16 16 LYS HA H 1 4.165 0.002 . 1 . . . . 35 LYS HA . 17257 1 153 . 1 1 16 16 LYS HB2 H 1 1.584 0.002 . 2 . . . . 35 LYS HB2 . 17257 1 154 . 1 1 16 16 LYS HB3 H 1 1.663 0.001 . 2 . . . . 35 LYS HB3 . 17257 1 155 . 1 1 16 16 LYS HD2 H 1 1.594 0.002 . 2 . . . . 35 LYS HD2 . 17257 1 156 . 1 1 16 16 LYS HD3 H 1 1.594 0.002 . 2 . . . . 35 LYS HD3 . 17257 1 157 . 1 1 16 16 LYS HE2 H 1 2.917 0.002 . 2 . . . . 35 LYS HE2 . 17257 1 158 . 1 1 16 16 LYS HE3 H 1 2.917 0.002 . 2 . . . . 35 LYS HE3 . 17257 1 159 . 1 1 16 16 LYS HG2 H 1 1.200 0.005 . 2 . . . . 35 LYS HG2 . 17257 1 160 . 1 1 16 16 LYS HG3 H 1 1.200 0.005 . 2 . . . . 35 LYS HG3 . 17257 1 161 . 1 1 16 16 LYS C C 13 176.007 0.002 . 1 . . . . 35 LYS C . 17257 1 162 . 1 1 16 16 LYS CA C 13 56.588 0.041 . 1 . . . . 35 LYS CA . 17257 1 163 . 1 1 16 16 LYS CB C 13 33.074 0.014 . 1 . . . . 35 LYS CB . 17257 1 164 . 1 1 16 16 LYS CD C 13 29.013 0.010 . 1 . . . . 35 LYS CD . 17257 1 165 . 1 1 16 16 LYS CE C 13 41.946 0.003 . 1 . . . . 35 LYS CE . 17257 1 166 . 1 1 16 16 LYS CG C 13 24.684 0.019 . 1 . . . . 35 LYS CG . 17257 1 167 . 1 1 16 16 LYS N N 15 121.429 0.060 . 1 . . . . 35 LYS N . 17257 1 168 . 1 1 17 17 HIS H H 1 8.259 0.000 . 1 . . . . 36 HIS H . 17257 1 169 . 1 1 17 17 HIS HA H 1 4.654 0.003 . 1 . . . . 36 HIS HA . 17257 1 170 . 1 1 17 17 HIS HB2 H 1 3.097 0.001 . 2 . . . . 36 HIS HB2 . 17257 1 171 . 1 1 17 17 HIS HB3 H 1 3.204 0.006 . 2 . . . . 36 HIS HB3 . 17257 1 172 . 1 1 17 17 HIS HD2 H 1 7.191 0.006 . 1 . . . . 36 HIS HD2 . 17257 1 173 . 1 1 17 17 HIS HE1 H 1 8.382 0.000 . 1 . . . . 36 HIS HE1 . 17257 1 174 . 1 1 17 17 HIS C C 13 174.320 0.000 . 1 . . . . 36 HIS C . 17257 1 175 . 1 1 17 17 HIS CA C 13 55.383 0.037 . 1 . . . . 36 HIS CA . 17257 1 176 . 1 1 17 17 HIS CB C 13 29.248 0.000 . 1 . . . . 36 HIS CB . 17257 1 177 . 1 1 17 17 HIS CD2 C 13 120.058 0.000 . 1 . . . . 36 HIS CD2 . 17257 1 178 . 1 1 17 17 HIS CE1 C 13 136.703 0.000 . 1 . . . . 36 HIS CE1 . 17257 1 179 . 1 1 17 17 HIS N N 15 119.253 0.000 . 1 . . . . 36 HIS N . 17257 1 180 . 1 1 18 18 VAL H H 1 7.996 0.003 . 1 . . . . 37 VAL H . 17257 1 181 . 1 1 18 18 VAL HA H 1 4.080 0.002 . 1 . . . . 37 VAL HA . 17257 1 182 . 1 1 18 18 VAL HB H 1 2.016 0.003 . 1 . . . . 37 VAL HB . 17257 1 183 . 1 1 18 18 VAL HG11 H 1 0.843 0.002 . 2 . . . . 37 VAL MG1 . 17257 1 184 . 1 1 18 18 VAL HG12 H 1 0.843 0.002 . 2 . . . . 37 VAL MG1 . 17257 1 185 . 1 1 18 18 VAL HG13 H 1 0.843 0.002 . 2 . . . . 37 VAL MG1 . 17257 1 186 . 1 1 18 18 VAL HG21 H 1 0.871 0.003 . 2 . . . . 37 VAL MG2 . 17257 1 187 . 1 1 18 18 VAL HG22 H 1 0.871 0.003 . 2 . . . . 37 VAL MG2 . 17257 1 188 . 1 1 18 18 VAL HG23 H 1 0.871 0.003 . 2 . . . . 37 VAL MG2 . 17257 1 189 . 1 1 18 18 VAL C C 13 175.373 0.000 . 1 . . . . 37 VAL C . 17257 1 190 . 1 1 18 18 VAL CA C 13 62.209 0.012 . 1 . . . . 37 VAL CA . 17257 1 191 . 1 1 18 18 VAL CB C 13 32.984 0.049 . 1 . . . . 37 VAL CB . 17257 1 192 . 1 1 18 18 VAL CG1 C 13 21.211 0.011 . 2 . . . . 37 VAL CG1 . 17257 1 193 . 1 1 18 18 VAL CG2 C 13 20.453 0.005 . 2 . . . . 37 VAL CG2 . 17257 1 194 . 1 1 18 18 VAL N N 15 120.693 0.014 . 1 . . . . 37 VAL N . 17257 1 195 . 1 1 19 19 ASN H H 1 8.367 0.001 . 1 . . . . 38 ASN H . 17257 1 196 . 1 1 19 19 ASN HA H 1 4.597 0.001 . 1 . . . . 38 ASN HA . 17257 1 197 . 1 1 19 19 ASN HB2 H 1 2.630 0.001 . 2 . . . . 38 ASN HB2 . 17257 1 198 . 1 1 19 19 ASN HB3 H 1 2.630 0.001 . 2 . . . . 38 ASN HB3 . 17257 1 199 . 1 1 19 19 ASN HD21 H 1 6.840 0.005 . 2 . . . . 38 ASN HD21 . 17257 1 200 . 1 1 19 19 ASN HD22 H 1 7.459 0.004 . 2 . . . . 38 ASN HD22 . 17257 1 201 . 1 1 19 19 ASN C C 13 174.642 0.000 . 1 . . . . 38 ASN C . 17257 1 202 . 1 1 19 19 ASN CA C 13 53.193 0.025 . 1 . . . . 38 ASN CA . 17257 1 203 . 1 1 19 19 ASN CB C 13 39.087 0.003 . 1 . . . . 38 ASN CB . 17257 1 204 . 1 1 19 19 ASN CG C 13 176.598 0.000 . 1 . . . . 38 ASN CG . 17257 1 205 . 1 1 19 19 ASN N N 15 121.482 0.003 . 1 . . . . 38 ASN N . 17257 1 206 . 1 1 19 19 ASN ND2 N 15 112.607 0.004 . 1 . . . . 38 ASN ND2 . 17257 1 207 . 1 1 20 20 HIS H H 1 8.209 0.000 . 1 . . . . 39 HIS H . 17257 1 208 . 1 1 20 20 HIS HA H 1 4.604 0.003 . 1 . . . . 39 HIS HA . 17257 1 209 . 1 1 20 20 HIS HB2 H 1 3.076 0.003 . 2 . . . . 39 HIS HB2 . 17257 1 210 . 1 1 20 20 HIS HB3 H 1 3.158 0.004 . 2 . . . . 39 HIS HB3 . 17257 1 211 . 1 1 20 20 HIS HD2 H 1 7.139 0.008 . 1 . . . . 39 HIS HD2 . 17257 1 212 . 1 1 20 20 HIS HE1 H 1 8.321 0.000 . 1 . . . . 39 HIS HE1 . 17257 1 213 . 1 1 20 20 HIS C C 13 173.942 0.000 . 1 . . . . 39 HIS C . 17257 1 214 . 1 1 20 20 HIS CA C 13 55.560 0.073 . 1 . . . . 39 HIS CA . 17257 1 215 . 1 1 20 20 HIS CB C 13 29.183 0.029 . 1 . . . . 39 HIS CB . 17257 1 216 . 1 1 20 20 HIS CD2 C 13 119.959 0.031 . 1 . . . . 39 HIS CD2 . 17257 1 217 . 1 1 20 20 HIS CE1 C 13 137.308 0.000 . 1 . . . . 39 HIS CE1 . 17257 1 218 . 1 1 20 20 HIS N N 15 118.312 0.000 . 1 . . . . 39 HIS N . 17257 1 219 . 1 1 21 21 PHE H H 1 8.220 0.002 . 1 . . . . 40 PHE H . 17257 1 220 . 1 1 21 21 PHE HA H 1 4.649 0.003 . 1 . . . . 40 PHE HA . 17257 1 221 . 1 1 21 21 PHE HB2 H 1 2.932 0.002 . 2 . . . . 40 PHE HB2 . 17257 1 222 . 1 1 21 21 PHE HB3 H 1 3.132 0.004 . 2 . . . . 40 PHE HB3 . 17257 1 223 . 1 1 21 21 PHE HD1 H 1 7.227 0.002 . 3 . . . . 40 PHE HD1 . 17257 1 224 . 1 1 21 21 PHE HD2 H 1 7.227 0.002 . 3 . . . . 40 PHE HD2 . 17257 1 225 . 1 1 21 21 PHE HE1 H 1 7.308 0.000 . 3 . . . . 40 PHE HE1 . 17257 1 226 . 1 1 21 21 PHE HE2 H 1 7.308 0.000 . 3 . . . . 40 PHE HE2 . 17257 1 227 . 1 1 21 21 PHE C C 13 175.313 0.000 . 1 . . . . 40 PHE C . 17257 1 228 . 1 1 21 21 PHE CA C 13 57.702 0.010 . 1 . . . . 40 PHE CA . 17257 1 229 . 1 1 21 21 PHE CB C 13 39.435 0.029 . 1 . . . . 40 PHE CB . 17257 1 230 . 1 1 21 21 PHE CD1 C 13 131.782 0.000 . 3 . . . . 40 PHE CD1 . 17257 1 231 . 1 1 21 21 PHE CD2 C 13 131.782 0.000 . 3 . . . . 40 PHE CD2 . 17257 1 232 . 1 1 21 21 PHE N N 15 120.952 0.009 . 1 . . . . 40 PHE N . 17257 1 233 . 1 1 22 22 ASP H H 1 8.308 0.002 . 1 . . . . 41 ASP H . 17257 1 234 . 1 1 22 22 ASP HA H 1 4.660 0.001 . 1 . . . . 41 ASP HA . 17257 1 235 . 1 1 22 22 ASP HB2 H 1 2.607 0.000 . 2 . . . . 41 ASP HB2 . 17257 1 236 . 1 1 22 22 ASP HB3 H 1 2.772 0.005 . 2 . . . . 41 ASP HB3 . 17257 1 237 . 1 1 22 22 ASP C C 13 175.762 0.000 . 1 . . . . 41 ASP C . 17257 1 238 . 1 1 22 22 ASP CA C 13 54.389 0.040 . 1 . . . . 41 ASP CA . 17257 1 239 . 1 1 22 22 ASP CB C 13 41.264 0.037 . 1 . . . . 41 ASP CB . 17257 1 240 . 1 1 22 22 ASP N N 15 121.267 0.041 . 1 . . . . 41 ASP N . 17257 1 241 . 1 1 23 23 GLU H H 1 8.121 0.000 . 1 . . . . 42 GLU H . 17257 1 242 . 1 1 23 23 GLU HA H 1 4.299 0.003 . 1 . . . . 42 GLU HA . 17257 1 243 . 1 1 23 23 GLU HB2 H 1 1.955 0.003 . 2 . . . . 42 GLU HB2 . 17257 1 244 . 1 1 23 23 GLU HB3 H 1 2.080 0.002 . 2 . . . . 42 GLU HB3 . 17257 1 245 . 1 1 23 23 GLU HG2 H 1 2.303 0.003 . 2 . . . . 42 GLU HG2 . 17257 1 246 . 1 1 23 23 GLU HG3 H 1 2.303 0.003 . 2 . . . . 42 GLU HG3 . 17257 1 247 . 1 1 23 23 GLU C C 13 175.549 0.000 . 1 . . . . 42 GLU C . 17257 1 248 . 1 1 23 23 GLU CA C 13 56.479 0.004 . 1 . . . . 42 GLU CA . 17257 1 249 . 1 1 23 23 GLU CB C 13 30.474 0.010 . 1 . . . . 42 GLU CB . 17257 1 250 . 1 1 23 23 GLU CG C 13 35.989 0.019 . 1 . . . . 42 GLU CG . 17257 1 251 . 1 1 23 23 GLU N N 15 120.013 0.000 . 1 . . . . 42 GLU N . 17257 1 252 . 1 1 24 24 ALA H H 1 8.140 0.002 . 1 . . . . 43 ALA H . 17257 1 253 . 1 1 24 24 ALA HA H 1 4.659 0.002 . 1 . . . . 43 ALA HA . 17257 1 254 . 1 1 24 24 ALA HB1 H 1 1.361 0.000 . 1 . . . . 43 ALA MB . 17257 1 255 . 1 1 24 24 ALA HB2 H 1 1.361 0.000 . 1 . . . . 43 ALA MB . 17257 1 256 . 1 1 24 24 ALA HB3 H 1 1.361 0.000 . 1 . . . . 43 ALA MB . 17257 1 257 . 1 1 24 24 ALA CA C 13 50.001 0.000 . 1 . . . . 43 ALA CA . 17257 1 258 . 1 1 24 24 ALA CB C 13 18.832 0.001 . 1 . . . . 43 ALA CB . 17257 1 259 . 1 1 24 24 ALA N N 15 125.128 0.001 . 1 . . . . 43 ALA N . 17257 1 260 . 1 1 25 25 PRO HD2 H 1 3.668 0.002 . 2 . . . . 44 PRO HD2 . 17257 1 261 . 1 1 25 25 PRO HD3 H 1 3.734 0.006 . 2 . . . . 44 PRO HD3 . 17257 1 262 . 1 1 25 25 PRO CA C 13 63.158 0.000 . 1 . . . . 44 PRO CA . 17257 1 263 . 1 1 25 25 PRO CB C 13 32.193 0.000 . 1 . . . . 44 PRO CB . 17257 1 264 . 1 1 25 25 PRO CD C 13 50.440 0.018 . 1 . . . . 44 PRO CD . 17257 1 265 . 1 1 25 25 PRO CG C 13 27.301 0.000 . 1 . . . . 44 PRO CG . 17257 1 266 . 1 1 26 26 THR H H 1 8.097 0.001 . 1 . . . . 45 THR H . 17257 1 267 . 1 1 26 26 THR HA H 1 4.380 0.001 . 1 . . . . 45 THR HA . 17257 1 268 . 1 1 26 26 THR HB H 1 4.177 0.004 . 1 . . . . 45 THR HB . 17257 1 269 . 1 1 26 26 THR HG21 H 1 1.219 0.000 . 1 . . . . 45 THR MG . 17257 1 270 . 1 1 26 26 THR HG22 H 1 1.219 0.000 . 1 . . . . 45 THR MG . 17257 1 271 . 1 1 26 26 THR HG23 H 1 1.219 0.000 . 1 . . . . 45 THR MG . 17257 1 272 . 1 1 26 26 THR CA C 13 62.064 0.022 . 1 . . . . 45 THR CA . 17257 1 273 . 1 1 26 26 THR CB C 13 69.776 0.011 . 1 . . . . 45 THR CB . 17257 1 274 . 1 1 26 26 THR CG2 C 13 21.603 0.006 . 1 . . . . 45 THR CG2 . 17257 1 275 . 1 1 26 26 THR N N 15 113.968 0.016 . 1 . . . . 45 THR N . 17257 1 276 . 1 1 27 27 GLU H H 1 8.285 0.003 . 1 . . . . 46 GLU H . 17257 1 277 . 1 1 27 27 GLU HA H 1 4.335 0.008 . 1 . . . . 46 GLU HA . 17257 1 278 . 1 1 27 27 GLU HB2 H 1 1.962 0.006 . 2 . . . . 46 GLU HB2 . 17257 1 279 . 1 1 27 27 GLU HB3 H 1 1.962 0.006 . 2 . . . . 46 GLU HB3 . 17257 1 280 . 1 1 27 27 GLU HG2 H 1 2.097 0.004 . 2 . . . . 46 GLU HG2 . 17257 1 281 . 1 1 27 27 GLU HG3 H 1 2.188 0.003 . 2 . . . . 46 GLU HG3 . 17257 1 282 . 1 1 27 27 GLU CA C 13 56.174 0.034 . 1 . . . . 46 GLU CA . 17257 1 283 . 1 1 27 27 GLU CB C 13 30.356 0.018 . 1 . . . . 46 GLU CB . 17257 1 284 . 1 1 27 27 GLU CG C 13 36.035 0.038 . 1 . . . . 46 GLU CG . 17257 1 285 . 1 1 27 27 GLU N N 15 123.484 0.029 . 1 . . . . 46 GLU N . 17257 1 286 . 1 1 28 28 ILE H H 1 8.106 0.002 . 1 . . . . 47 ILE H . 17257 1 287 . 1 1 28 28 ILE HA H 1 4.434 0.005 . 1 . . . . 47 ILE HA . 17257 1 288 . 1 1 28 28 ILE HD11 H 1 0.748 0.007 . 1 . . . . 47 ILE MD . 17257 1 289 . 1 1 28 28 ILE HD12 H 1 0.748 0.007 . 1 . . . . 47 ILE MD . 17257 1 290 . 1 1 28 28 ILE HD13 H 1 0.748 0.007 . 1 . . . . 47 ILE MD . 17257 1 291 . 1 1 28 28 ILE HG12 H 1 1.020 0.004 . 2 . . . . 47 ILE HG12 . 17257 1 292 . 1 1 28 28 ILE HG13 H 1 1.397 0.008 . 2 . . . . 47 ILE HG13 . 17257 1 293 . 1 1 28 28 ILE HG21 H 1 0.872 0.003 . 1 . . . . 47 ILE MG . 17257 1 294 . 1 1 28 28 ILE HG22 H 1 0.872 0.003 . 1 . . . . 47 ILE MG . 17257 1 295 . 1 1 28 28 ILE HG23 H 1 0.872 0.003 . 1 . . . . 47 ILE MG . 17257 1 296 . 1 1 28 28 ILE CA C 13 58.481 0.000 . 1 . . . . 47 ILE CA . 17257 1 297 . 1 1 28 28 ILE CB C 13 38.895 0.000 . 1 . . . . 47 ILE CB . 17257 1 298 . 1 1 28 28 ILE CD1 C 13 13.430 0.000 . 1 . . . . 47 ILE CD1 . 17257 1 299 . 1 1 28 28 ILE CG1 C 13 26.779 0.057 . 1 . . . . 47 ILE CG1 . 17257 1 300 . 1 1 28 28 ILE CG2 C 13 17.195 0.016 . 1 . . . . 47 ILE CG2 . 17257 1 301 . 1 1 28 28 ILE N N 15 123.817 0.000 . 1 . . . . 47 ILE N . 17257 1 302 . 1 1 29 29 PRO HA H 1 4.386 0.001 . 1 . . . . 48 PRO HA . 17257 1 303 . 1 1 29 29 PRO HB2 H 1 1.731 0.001 . 2 . . . . 48 PRO HB2 . 17257 1 304 . 1 1 29 29 PRO HB3 H 1 2.195 0.007 . 2 . . . . 48 PRO HB3 . 17257 1 305 . 1 1 29 29 PRO HD2 H 1 3.659 0.004 . 2 . . . . 48 PRO HD2 . 17257 1 306 . 1 1 29 29 PRO HD3 H 1 3.790 0.009 . 2 . . . . 48 PRO HD3 . 17257 1 307 . 1 1 29 29 PRO HG2 H 1 2.007 0.000 . 2 . . . . 48 PRO HG2 . 17257 1 308 . 1 1 29 29 PRO HG3 H 1 2.007 0.000 . 2 . . . . 48 PRO HG3 . 17257 1 309 . 1 1 29 29 PRO C C 13 176.506 0.025 . 1 . . . . 48 PRO C . 17257 1 310 . 1 1 29 29 PRO CA C 13 63.066 0.003 . 1 . . . . 48 PRO CA . 17257 1 311 . 1 1 29 29 PRO CB C 13 32.033 0.019 . 1 . . . . 48 PRO CB . 17257 1 312 . 1 1 29 29 PRO CD C 13 51.049 0.000 . 1 . . . . 48 PRO CD . 17257 1 313 . 1 1 29 29 PRO CG C 13 27.413 0.000 . 1 . . . . 48 PRO CG . 17257 1 314 . 1 1 30 30 LEU H H 1 8.064 0.002 . 1 . . . . 49 LEU H . 17257 1 315 . 1 1 30 30 LEU HA H 1 4.267 0.002 . 1 . . . . 49 LEU HA . 17257 1 316 . 1 1 30 30 LEU HB2 H 1 1.329 0.003 . 2 . . . . 49 LEU HB2 . 17257 1 317 . 1 1 30 30 LEU HB3 H 1 1.505 0.004 . 2 . . . . 49 LEU HB3 . 17257 1 318 . 1 1 30 30 LEU HD11 H 1 0.786 0.003 . 2 . . . . 49 LEU MD1 . 17257 1 319 . 1 1 30 30 LEU HD12 H 1 0.786 0.003 . 2 . . . . 49 LEU MD1 . 17257 1 320 . 1 1 30 30 LEU HD13 H 1 0.786 0.003 . 2 . . . . 49 LEU MD1 . 17257 1 321 . 1 1 30 30 LEU HD21 H 1 0.834 0.002 . 2 . . . . 49 LEU MD2 . 17257 1 322 . 1 1 30 30 LEU HD22 H 1 0.834 0.002 . 2 . . . . 49 LEU MD2 . 17257 1 323 . 1 1 30 30 LEU HD23 H 1 0.834 0.002 . 2 . . . . 49 LEU MD2 . 17257 1 324 . 1 1 30 30 LEU HG H 1 1.518 0.001 . 1 . . . . 49 LEU HG . 17257 1 325 . 1 1 30 30 LEU C C 13 177.039 0.015 . 1 . . . . 49 LEU C . 17257 1 326 . 1 1 30 30 LEU CA C 13 55.254 0.021 . 1 . . . . 49 LEU CA . 17257 1 327 . 1 1 30 30 LEU CB C 13 42.690 0.014 . 1 . . . . 49 LEU CB . 17257 1 328 . 1 1 30 30 LEU CD1 C 13 23.648 0.003 . 2 . . . . 49 LEU CD1 . 17257 1 329 . 1 1 30 30 LEU CD2 C 13 25.396 0.000 . 2 . . . . 49 LEU CD2 . 17257 1 330 . 1 1 30 30 LEU CG C 13 26.961 0.001 . 1 . . . . 49 LEU CG . 17257 1 331 . 1 1 30 30 LEU N N 15 121.897 0.068 . 1 . . . . 49 LEU N . 17257 1 332 . 1 1 31 31 TYR H H 1 7.971 0.002 . 1 . . . . 50 TYR H . 17257 1 333 . 1 1 31 31 TYR HA H 1 4.712 0.002 . 1 . . . . 50 TYR HA . 17257 1 334 . 1 1 31 31 TYR HB2 H 1 2.969 0.004 . 2 . . . . 50 TYR HB2 . 17257 1 335 . 1 1 31 31 TYR HB3 H 1 3.127 0.006 . 2 . . . . 50 TYR HB3 . 17257 1 336 . 1 1 31 31 TYR HD1 H 1 7.129 0.002 . 3 . . . . 50 TYR HD1 . 17257 1 337 . 1 1 31 31 TYR HD2 H 1 7.129 0.002 . 3 . . . . 50 TYR HD2 . 17257 1 338 . 1 1 31 31 TYR HE1 H 1 6.826 0.005 . 3 . . . . 50 TYR HE1 . 17257 1 339 . 1 1 31 31 TYR HE2 H 1 6.826 0.005 . 3 . . . . 50 TYR HE2 . 17257 1 340 . 1 1 31 31 TYR C C 13 175.790 0.004 . 1 . . . . 50 TYR C . 17257 1 341 . 1 1 31 31 TYR CA C 13 57.379 0.015 . 1 . . . . 50 TYR CA . 17257 1 342 . 1 1 31 31 TYR CB C 13 38.809 0.009 . 1 . . . . 50 TYR CB . 17257 1 343 . 1 1 31 31 TYR CD1 C 13 133.386 0.025 . 3 . . . . 50 TYR CD1 . 17257 1 344 . 1 1 31 31 TYR CD2 C 13 133.386 0.025 . 3 . . . . 50 TYR CD2 . 17257 1 345 . 1 1 31 31 TYR CE1 C 13 118.226 0.008 . 3 . . . . 50 TYR CE1 . 17257 1 346 . 1 1 31 31 TYR CE2 C 13 118.226 0.008 . 3 . . . . 50 TYR CE2 . 17257 1 347 . 1 1 31 31 TYR N N 15 119.579 0.038 . 1 . . . . 50 TYR N . 17257 1 348 . 1 1 32 32 THR H H 1 8.016 0.002 . 1 . . . . 51 THR H . 17257 1 349 . 1 1 32 32 THR HA H 1 4.393 0.003 . 1 . . . . 51 THR HA . 17257 1 350 . 1 1 32 32 THR HB H 1 4.224 0.003 . 1 . . . . 51 THR HB . 17257 1 351 . 1 1 32 32 THR HG21 H 1 1.179 0.002 . 1 . . . . 51 THR MG . 17257 1 352 . 1 1 32 32 THR HG22 H 1 1.179 0.002 . 1 . . . . 51 THR MG . 17257 1 353 . 1 1 32 32 THR HG23 H 1 1.179 0.002 . 1 . . . . 51 THR MG . 17257 1 354 . 1 1 32 32 THR C C 13 174.182 0.007 . 1 . . . . 51 THR C . 17257 1 355 . 1 1 32 32 THR CA C 13 61.591 0.030 . 1 . . . . 51 THR CA . 17257 1 356 . 1 1 32 32 THR CB C 13 69.930 0.034 . 1 . . . . 51 THR CB . 17257 1 357 . 1 1 32 32 THR CG2 C 13 21.511 0.001 . 1 . . . . 51 THR CG2 . 17257 1 358 . 1 1 32 32 THR N N 15 115.095 0.017 . 1 . . . . 51 THR N . 17257 1 359 . 1 1 33 33 SER H H 1 8.076 0.003 . 1 . . . . 52 SER H . 17257 1 360 . 1 1 33 33 SER HA H 1 4.502 0.006 . 1 . . . . 52 SER HA . 17257 1 361 . 1 1 33 33 SER HB2 H 1 3.794 0.001 . 2 . . . . 52 SER HB2 . 17257 1 362 . 1 1 33 33 SER HB3 H 1 3.864 0.003 . 2 . . . . 52 SER HB3 . 17257 1 363 . 1 1 33 33 SER C C 13 173.067 0.004 . 1 . . . . 52 SER C . 17257 1 364 . 1 1 33 33 SER CA C 13 58.150 0.029 . 1 . . . . 52 SER CA . 17257 1 365 . 1 1 33 33 SER CB C 13 64.161 0.030 . 1 . . . . 52 SER CB . 17257 1 366 . 1 1 33 33 SER N N 15 117.680 0.022 . 1 . . . . 52 SER N . 17257 1 367 . 1 1 34 34 TYR H H 1 8.275 0.002 . 1 . . . . 53 TYR H . 17257 1 368 . 1 1 34 34 TYR HA H 1 4.079 0.003 . 1 . . . . 53 TYR HA . 17257 1 369 . 1 1 34 34 TYR HB2 H 1 2.447 0.003 . 2 . . . . 53 TYR HB2 . 17257 1 370 . 1 1 34 34 TYR HB3 H 1 2.821 0.003 . 2 . . . . 53 TYR HB3 . 17257 1 371 . 1 1 34 34 TYR HD1 H 1 6.184 0.004 . 3 . . . . 53 TYR HD1 . 17257 1 372 . 1 1 34 34 TYR HD2 H 1 6.184 0.004 . 3 . . . . 53 TYR HD2 . 17257 1 373 . 1 1 34 34 TYR HE1 H 1 6.092 0.008 . 3 . . . . 53 TYR HE1 . 17257 1 374 . 1 1 34 34 TYR HE2 H 1 6.092 0.008 . 3 . . . . 53 TYR HE2 . 17257 1 375 . 1 1 34 34 TYR C C 13 174.230 0.005 . 1 . . . . 53 TYR C . 17257 1 376 . 1 1 34 34 TYR CA C 13 59.220 0.027 . 1 . . . . 53 TYR CA . 17257 1 377 . 1 1 34 34 TYR CB C 13 39.810 0.012 . 1 . . . . 53 TYR CB . 17257 1 378 . 1 1 34 34 TYR CD1 C 13 132.610 0.033 . 3 . . . . 53 TYR CD1 . 17257 1 379 . 1 1 34 34 TYR CD2 C 13 132.610 0.033 . 3 . . . . 53 TYR CD2 . 17257 1 380 . 1 1 34 34 TYR CE1 C 13 119.471 0.011 . 3 . . . . 53 TYR CE1 . 17257 1 381 . 1 1 34 34 TYR CE2 C 13 119.471 0.011 . 3 . . . . 53 TYR CE2 . 17257 1 382 . 1 1 34 34 TYR N N 15 125.187 0.012 . 1 . . . . 53 TYR N . 17257 1 383 . 1 1 35 35 THR H H 1 7.052 0.003 . 1 . . . . 54 THR H . 17257 1 384 . 1 1 35 35 THR HA H 1 3.787 0.001 . 1 . . . . 54 THR HA . 17257 1 385 . 1 1 35 35 THR HB H 1 3.429 0.001 . 1 . . . . 54 THR HB . 17257 1 386 . 1 1 35 35 THR HG21 H 1 0.706 0.001 . 1 . . . . 54 THR MG . 17257 1 387 . 1 1 35 35 THR HG22 H 1 0.706 0.001 . 1 . . . . 54 THR MG . 17257 1 388 . 1 1 35 35 THR HG23 H 1 0.706 0.001 . 1 . . . . 54 THR MG . 17257 1 389 . 1 1 35 35 THR C C 13 172.575 0.000 . 1 . . . . 54 THR C . 17257 1 390 . 1 1 35 35 THR CA C 13 61.528 0.050 . 1 . . . . 54 THR CA . 17257 1 391 . 1 1 35 35 THR CB C 13 69.582 0.039 . 1 . . . . 54 THR CB . 17257 1 392 . 1 1 35 35 THR CG2 C 13 21.701 0.001 . 1 . . . . 54 THR CG2 . 17257 1 393 . 1 1 35 35 THR N N 15 121.478 0.020 . 1 . . . . 54 THR N . 17257 1 394 . 1 1 36 36 TYR H H 1 8.684 0.004 . 1 . . . . 55 TYR H . 17257 1 395 . 1 1 36 36 TYR HA H 1 3.117 0.003 . 1 . . . . 55 TYR HA . 17257 1 396 . 1 1 36 36 TYR HB2 H 1 0.743 0.006 . 2 . . . . 55 TYR HB2 . 17257 1 397 . 1 1 36 36 TYR HB3 H 1 2.354 0.008 . 2 . . . . 55 TYR HB3 . 17257 1 398 . 1 1 36 36 TYR HD1 H 1 6.271 0.007 . 3 . . . . 55 TYR HD1 . 17257 1 399 . 1 1 36 36 TYR HD2 H 1 6.271 0.007 . 3 . . . . 55 TYR HD2 . 17257 1 400 . 1 1 36 36 TYR HE1 H 1 6.545 0.002 . 3 . . . . 55 TYR HE1 . 17257 1 401 . 1 1 36 36 TYR HE2 H 1 6.545 0.002 . 3 . . . . 55 TYR HE2 . 17257 1 402 . 1 1 36 36 TYR C C 13 172.836 0.015 . 1 . . . . 55 TYR C . 17257 1 403 . 1 1 36 36 TYR CA C 13 59.093 0.023 . 1 . . . . 55 TYR CA . 17257 1 404 . 1 1 36 36 TYR CB C 13 36.109 0.010 . 1 . . . . 55 TYR CB . 17257 1 405 . 1 1 36 36 TYR CD1 C 13 133.070 0.042 . 3 . . . . 55 TYR CD1 . 17257 1 406 . 1 1 36 36 TYR CD2 C 13 133.070 0.042 . 3 . . . . 55 TYR CD2 . 17257 1 407 . 1 1 36 36 TYR CE1 C 13 117.759 0.013 . 3 . . . . 55 TYR CE1 . 17257 1 408 . 1 1 36 36 TYR CE2 C 13 117.759 0.013 . 3 . . . . 55 TYR CE2 . 17257 1 409 . 1 1 36 36 TYR N N 15 128.247 0.019 . 1 . . . . 55 TYR N . 17257 1 410 . 1 1 37 37 GLN H H 1 7.658 0.002 . 1 . . . . 56 GLN H . 17257 1 411 . 1 1 37 37 GLN HA H 1 4.880 0.006 . 1 . . . . 56 GLN HA . 17257 1 412 . 1 1 37 37 GLN HB2 H 1 2.050 0.002 . 2 . . . . 56 GLN HB2 . 17257 1 413 . 1 1 37 37 GLN HB3 H 1 2.153 0.003 . 2 . . . . 56 GLN HB3 . 17257 1 414 . 1 1 37 37 GLN HE21 H 1 6.696 0.001 . 2 . . . . 56 GLN HE21 . 17257 1 415 . 1 1 37 37 GLN HE22 H 1 7.235 0.007 . 2 . . . . 56 GLN HE22 . 17257 1 416 . 1 1 37 37 GLN HG2 H 1 2.302 0.003 . 2 . . . . 56 GLN HG2 . 17257 1 417 . 1 1 37 37 GLN HG3 H 1 2.302 0.003 . 2 . . . . 56 GLN HG3 . 17257 1 418 . 1 1 37 37 GLN C C 13 174.426 0.005 . 1 . . . . 56 GLN C . 17257 1 419 . 1 1 37 37 GLN CA C 13 54.281 0.012 . 1 . . . . 56 GLN CA . 17257 1 420 . 1 1 37 37 GLN CB C 13 31.610 0.063 . 1 . . . . 56 GLN CB . 17257 1 421 . 1 1 37 37 GLN CD C 13 180.447 0.027 . 1 . . . . 56 GLN CD . 17257 1 422 . 1 1 37 37 GLN CG C 13 31.641 0.001 . 1 . . . . 56 GLN CG . 17257 1 423 . 1 1 37 37 GLN N N 15 116.769 0.027 . 1 . . . . 56 GLN N . 17257 1 424 . 1 1 37 37 GLN NE2 N 15 110.489 0.004 . 1 . . . . 56 GLN NE2 . 17257 1 425 . 1 1 38 38 ALA H H 1 9.915 0.001 . 1 . . . . 57 ALA H . 17257 1 426 . 1 1 38 38 ALA HA H 1 4.899 0.004 . 1 . . . . 57 ALA HA . 17257 1 427 . 1 1 38 38 ALA HB1 H 1 1.486 0.001 . 1 . . . . 57 ALA MB . 17257 1 428 . 1 1 38 38 ALA HB2 H 1 1.486 0.001 . 1 . . . . 57 ALA MB . 17257 1 429 . 1 1 38 38 ALA HB3 H 1 1.486 0.001 . 1 . . . . 57 ALA MB . 17257 1 430 . 1 1 38 38 ALA C C 13 177.755 0.000 . 1 . . . . 57 ALA C . 17257 1 431 . 1 1 38 38 ALA CA C 13 52.006 0.040 . 1 . . . . 57 ALA CA . 17257 1 432 . 1 1 38 38 ALA CB C 13 20.710 0.012 . 1 . . . . 57 ALA CB . 17257 1 433 . 1 1 38 38 ALA N N 15 126.977 0.004 . 1 . . . . 57 ALA N . 17257 1 434 . 1 1 39 39 THR H H 1 9.196 0.005 . 1 . . . . 58 THR H . 17257 1 435 . 1 1 39 39 THR HA H 1 5.056 0.002 . 1 . . . . 58 THR HA . 17257 1 436 . 1 1 39 39 THR HB H 1 4.504 0.004 . 1 . . . . 58 THR HB . 17257 1 437 . 1 1 39 39 THR HG21 H 1 1.240 0.003 . 1 . . . . 58 THR MG . 17257 1 438 . 1 1 39 39 THR HG22 H 1 1.240 0.003 . 1 . . . . 58 THR MG . 17257 1 439 . 1 1 39 39 THR HG23 H 1 1.240 0.003 . 1 . . . . 58 THR MG . 17257 1 440 . 1 1 39 39 THR C C 13 174.838 0.000 . 1 . . . . 58 THR C . 17257 1 441 . 1 1 39 39 THR CA C 13 59.429 0.000 . 1 . . . . 58 THR CA . 17257 1 442 . 1 1 39 39 THR CB C 13 69.940 0.000 . 1 . . . . 58 THR CB . 17257 1 443 . 1 1 39 39 THR CG2 C 13 21.169 0.001 . 1 . . . . 58 THR CG2 . 17257 1 444 . 1 1 39 39 THR N N 15 114.241 0.026 . 1 . . . . 58 THR N . 17257 1 445 . 1 1 40 40 PRO HA H 1 4.347 0.002 . 1 . . . . 59 PRO HA . 17257 1 446 . 1 1 40 40 PRO HB2 H 1 1.859 0.008 . 2 . . . . 59 PRO HB2 . 17257 1 447 . 1 1 40 40 PRO HB3 H 1 2.368 0.002 . 2 . . . . 59 PRO HB3 . 17257 1 448 . 1 1 40 40 PRO HD2 H 1 3.798 0.006 . 2 . . . . 59 PRO HD2 . 17257 1 449 . 1 1 40 40 PRO HD3 H 1 3.855 0.004 . 2 . . . . 59 PRO HD3 . 17257 1 450 . 1 1 40 40 PRO HG2 H 1 2.100 0.000 . 2 . . . . 59 PRO HG2 . 17257 1 451 . 1 1 40 40 PRO HG3 H 1 2.100 0.000 . 2 . . . . 59 PRO HG3 . 17257 1 452 . 1 1 40 40 PRO C C 13 176.947 0.000 . 1 . . . . 59 PRO C . 17257 1 453 . 1 1 40 40 PRO CA C 13 64.768 0.019 . 1 . . . . 59 PRO CA . 17257 1 454 . 1 1 40 40 PRO CB C 13 32.063 0.002 . 1 . . . . 59 PRO CB . 17257 1 455 . 1 1 40 40 PRO CD C 13 51.278 0.000 . 1 . . . . 59 PRO CD . 17257 1 456 . 1 1 40 40 PRO CG C 13 27.754 0.000 . 1 . . . . 59 PRO CG . 17257 1 457 . 1 1 41 41 MET H H 1 7.465 0.001 . 1 . . . . 60 MET H . 17257 1 458 . 1 1 41 41 MET HA H 1 4.393 0.002 . 1 . . . . 60 MET HA . 17257 1 459 . 1 1 41 41 MET HB2 H 1 1.885 0.002 . 2 . . . . 60 MET HB2 . 17257 1 460 . 1 1 41 41 MET HB3 H 1 2.163 0.004 . 2 . . . . 60 MET HB3 . 17257 1 461 . 1 1 41 41 MET HE1 H 1 2.095 0.001 . 1 . . . . 60 MET ME . 17257 1 462 . 1 1 41 41 MET HE2 H 1 2.095 0.001 . 1 . . . . 60 MET ME . 17257 1 463 . 1 1 41 41 MET HE3 H 1 2.095 0.001 . 1 . . . . 60 MET ME . 17257 1 464 . 1 1 41 41 MET HG2 H 1 2.562 0.001 . 2 . . . . 60 MET HG2 . 17257 1 465 . 1 1 41 41 MET HG3 H 1 2.599 0.003 . 2 . . . . 60 MET HG3 . 17257 1 466 . 1 1 41 41 MET C C 13 176.793 0.021 . 1 . . . . 60 MET C . 17257 1 467 . 1 1 41 41 MET CA C 13 55.868 0.023 . 1 . . . . 60 MET CA . 17257 1 468 . 1 1 41 41 MET CB C 13 32.348 0.078 . 1 . . . . 60 MET CB . 17257 1 469 . 1 1 41 41 MET CE C 13 16.991 0.007 . 1 . . . . 60 MET CE . 17257 1 470 . 1 1 41 41 MET CG C 13 32.690 0.016 . 1 . . . . 60 MET CG . 17257 1 471 . 1 1 41 41 MET N N 15 112.499 0.001 . 1 . . . . 60 MET N . 17257 1 472 . 1 1 42 42 ASP H H 1 7.691 0.005 . 1 . . . . 61 ASP H . 17257 1 473 . 1 1 42 42 ASP HA H 1 4.511 0.003 . 1 . . . . 61 ASP HA . 17257 1 474 . 1 1 42 42 ASP HB2 H 1 2.431 0.005 . 2 . . . . 61 ASP HB2 . 17257 1 475 . 1 1 42 42 ASP HB3 H 1 2.864 0.001 . 2 . . . . 61 ASP HB3 . 17257 1 476 . 1 1 42 42 ASP C C 13 177.189 0.000 . 1 . . . . 61 ASP C . 17257 1 477 . 1 1 42 42 ASP CA C 13 56.270 0.019 . 1 . . . . 61 ASP CA . 17257 1 478 . 1 1 42 42 ASP CB C 13 42.334 0.031 . 1 . . . . 61 ASP CB . 17257 1 479 . 1 1 42 42 ASP N N 15 120.685 0.009 . 1 . . . . 61 ASP N . 17257 1 480 . 1 1 43 43 GLY H H 1 8.362 0.001 . 1 . . . . 62 GLY H . 17257 1 481 . 1 1 43 43 GLY HA2 H 1 3.917 0.003 . 2 . . . . 62 GLY HA2 . 17257 1 482 . 1 1 43 43 GLY HA3 H 1 4.141 0.007 . 2 . . . . 62 GLY HA3 . 17257 1 483 . 1 1 43 43 GLY C C 13 175.203 0.017 . 1 . . . . 62 GLY C . 17257 1 484 . 1 1 43 43 GLY CA C 13 46.708 0.008 . 1 . . . . 62 GLY CA . 17257 1 485 . 1 1 43 43 GLY N N 15 108.101 0.013 . 1 . . . . 62 GLY N . 17257 1 486 . 1 1 44 44 THR H H 1 8.040 0.002 . 1 . . . . 63 THR H . 17257 1 487 . 1 1 44 44 THR HA H 1 4.929 0.001 . 1 . . . . 63 THR HA . 17257 1 488 . 1 1 44 44 THR HB H 1 4.549 0.003 . 1 . . . . 63 THR HB . 17257 1 489 . 1 1 44 44 THR HG21 H 1 0.968 0.001 . 1 . . . . 63 THR MG . 17257 1 490 . 1 1 44 44 THR HG22 H 1 0.968 0.001 . 1 . . . . 63 THR MG . 17257 1 491 . 1 1 44 44 THR HG23 H 1 0.968 0.001 . 1 . . . . 63 THR MG . 17257 1 492 . 1 1 44 44 THR C C 13 172.886 0.007 . 1 . . . . 63 THR C . 17257 1 493 . 1 1 44 44 THR CA C 13 59.288 0.031 . 1 . . . . 63 THR CA . 17257 1 494 . 1 1 44 44 THR CB C 13 71.800 0.013 . 1 . . . . 63 THR CB . 17257 1 495 . 1 1 44 44 THR CG2 C 13 22.201 0.003 . 1 . . . . 63 THR CG2 . 17257 1 496 . 1 1 44 44 THR N N 15 112.010 0.010 . 1 . . . . 63 THR N . 17257 1 497 . 1 1 45 45 LEU H H 1 9.074 0.002 . 1 . . . . 64 LEU H . 17257 1 498 . 1 1 45 45 LEU HA H 1 3.891 0.006 . 1 . . . . 64 LEU HA . 17257 1 499 . 1 1 45 45 LEU HB2 H 1 1.264 0.009 . 2 . . . . 64 LEU HB2 . 17257 1 500 . 1 1 45 45 LEU HB3 H 1 2.084 0.008 . 2 . . . . 64 LEU HB3 . 17257 1 501 . 1 1 45 45 LEU HD11 H 1 0.393 0.002 . 2 . . . . 64 LEU MD1 . 17257 1 502 . 1 1 45 45 LEU HD12 H 1 0.393 0.002 . 2 . . . . 64 LEU MD1 . 17257 1 503 . 1 1 45 45 LEU HD13 H 1 0.393 0.002 . 2 . . . . 64 LEU MD1 . 17257 1 504 . 1 1 45 45 LEU HD21 H 1 0.551 0.003 . 2 . . . . 64 LEU MD2 . 17257 1 505 . 1 1 45 45 LEU HD22 H 1 0.551 0.003 . 2 . . . . 64 LEU MD2 . 17257 1 506 . 1 1 45 45 LEU HD23 H 1 0.551 0.003 . 2 . . . . 64 LEU MD2 . 17257 1 507 . 1 1 45 45 LEU HG H 1 1.428 0.002 . 1 . . . . 64 LEU HG . 17257 1 508 . 1 1 45 45 LEU C C 13 177.445 0.012 . 1 . . . . 64 LEU C . 17257 1 509 . 1 1 45 45 LEU CA C 13 58.687 0.016 . 1 . . . . 64 LEU CA . 17257 1 510 . 1 1 45 45 LEU CB C 13 43.453 0.062 . 1 . . . . 64 LEU CB . 17257 1 511 . 1 1 45 45 LEU CD1 C 13 25.295 0.020 . 2 . . . . 64 LEU CD1 . 17257 1 512 . 1 1 45 45 LEU CD2 C 13 23.665 0.005 . 2 . . . . 64 LEU CD2 . 17257 1 513 . 1 1 45 45 LEU CG C 13 27.046 0.041 . 1 . . . . 64 LEU CG . 17257 1 514 . 1 1 45 45 LEU N N 15 121.693 0.009 . 1 . . . . 64 LEU N . 17257 1 515 . 1 1 46 46 LYS H H 1 10.106 0.004 . 1 . . . . 65 LYS H . 17257 1 516 . 1 1 46 46 LYS HA H 1 3.453 0.004 . 1 . . . . 65 LYS HA . 17257 1 517 . 1 1 46 46 LYS HB2 H 1 1.015 0.003 . 2 . . . . 65 LYS HB2 . 17257 1 518 . 1 1 46 46 LYS HB3 H 1 1.614 0.006 . 2 . . . . 65 LYS HB3 . 17257 1 519 . 1 1 46 46 LYS HD2 H 1 0.676 0.005 . 2 . . . . 65 LYS HD2 . 17257 1 520 . 1 1 46 46 LYS HD3 H 1 0.947 0.008 . 2 . . . . 65 LYS HD3 . 17257 1 521 . 1 1 46 46 LYS HE2 H 1 2.465 0.004 . 2 . . . . 65 LYS HE2 . 17257 1 522 . 1 1 46 46 LYS HE3 H 1 2.564 0.007 . 2 . . . . 65 LYS HE3 . 17257 1 523 . 1 1 46 46 LYS HG2 H 1 0.260 0.007 . 2 . . . . 65 LYS HG2 . 17257 1 524 . 1 1 46 46 LYS HG3 H 1 0.260 0.007 . 2 . . . . 65 LYS HG3 . 17257 1 525 . 1 1 46 46 LYS C C 13 178.153 0.011 . 1 . . . . 65 LYS C . 17257 1 526 . 1 1 46 46 LYS CA C 13 60.936 0.030 . 1 . . . . 65 LYS CA . 17257 1 527 . 1 1 46 46 LYS CB C 13 31.664 0.032 . 1 . . . . 65 LYS CB . 17257 1 528 . 1 1 46 46 LYS CD C 13 29.664 0.021 . 1 . . . . 65 LYS CD . 17257 1 529 . 1 1 46 46 LYS CE C 13 41.644 0.026 . 1 . . . . 65 LYS CE . 17257 1 530 . 1 1 46 46 LYS CG C 13 25.075 0.020 . 1 . . . . 65 LYS CG . 17257 1 531 . 1 1 46 46 LYS N N 15 119.561 0.014 . 1 . . . . 65 LYS N . 17257 1 532 . 1 1 47 47 THR H H 1 7.395 0.001 . 1 . . . . 66 THR H . 17257 1 533 . 1 1 47 47 THR HA H 1 3.898 0.002 . 1 . . . . 66 THR HA . 17257 1 534 . 1 1 47 47 THR HB H 1 4.297 0.002 . 1 . . . . 66 THR HB . 17257 1 535 . 1 1 47 47 THR HG21 H 1 1.370 0.001 . 1 . . . . 66 THR MG . 17257 1 536 . 1 1 47 47 THR HG22 H 1 1.370 0.001 . 1 . . . . 66 THR MG . 17257 1 537 . 1 1 47 47 THR HG23 H 1 1.370 0.001 . 1 . . . . 66 THR MG . 17257 1 538 . 1 1 47 47 THR C C 13 177.671 0.012 . 1 . . . . 66 THR C . 17257 1 539 . 1 1 47 47 THR CA C 13 66.076 0.059 . 1 . . . . 66 THR CA . 17257 1 540 . 1 1 47 47 THR CB C 13 68.736 0.052 . 1 . . . . 66 THR CB . 17257 1 541 . 1 1 47 47 THR CG2 C 13 22.525 0.001 . 1 . . . . 66 THR CG2 . 17257 1 542 . 1 1 47 47 THR N N 15 110.984 0.008 . 1 . . . . 66 THR N . 17257 1 543 . 1 1 48 48 MET H H 1 8.066 0.001 . 1 . . . . 67 MET H . 17257 1 544 . 1 1 48 48 MET HA H 1 3.957 0.009 . 1 . . . . 67 MET HA . 17257 1 545 . 1 1 48 48 MET HB2 H 1 1.773 0.006 . 2 . . . . 67 MET HB2 . 17257 1 546 . 1 1 48 48 MET HB3 H 1 2.014 0.011 . 2 . . . . 67 MET HB3 . 17257 1 547 . 1 1 48 48 MET HE1 H 1 1.255 0.002 . 1 . . . . 67 MET ME . 17257 1 548 . 1 1 48 48 MET HE2 H 1 1.255 0.002 . 1 . . . . 67 MET ME . 17257 1 549 . 1 1 48 48 MET HE3 H 1 1.255 0.002 . 1 . . . . 67 MET ME . 17257 1 550 . 1 1 48 48 MET HG2 H 1 0.717 0.006 . 2 . . . . 67 MET HG2 . 17257 1 551 . 1 1 48 48 MET HG3 H 1 2.342 0.004 . 2 . . . . 67 MET HG3 . 17257 1 552 . 1 1 48 48 MET C C 13 176.888 0.007 . 1 . . . . 67 MET C . 17257 1 553 . 1 1 48 48 MET CA C 13 59.388 0.010 . 1 . . . . 67 MET CA . 17257 1 554 . 1 1 48 48 MET CB C 13 33.866 0.046 . 1 . . . . 67 MET CB . 17257 1 555 . 1 1 48 48 MET CE C 13 17.529 0.005 . 1 . . . . 67 MET CE . 17257 1 556 . 1 1 48 48 MET CG C 13 31.512 0.022 . 1 . . . . 67 MET CG . 17257 1 557 . 1 1 48 48 MET N N 15 123.040 0.007 . 1 . . . . 67 MET N . 17257 1 558 . 1 1 49 49 LEU H H 1 8.061 0.003 . 1 . . . . 68 LEU H . 17257 1 559 . 1 1 49 49 LEU HA H 1 3.610 0.004 . 1 . . . . 68 LEU HA . 17257 1 560 . 1 1 49 49 LEU HB2 H 1 1.266 0.009 . 2 . . . . 68 LEU HB2 . 17257 1 561 . 1 1 49 49 LEU HB3 H 1 1.861 0.005 . 2 . . . . 68 LEU HB3 . 17257 1 562 . 1 1 49 49 LEU HD11 H 1 0.417 0.003 . 2 . . . . 68 LEU MD1 . 17257 1 563 . 1 1 49 49 LEU HD12 H 1 0.417 0.003 . 2 . . . . 68 LEU MD1 . 17257 1 564 . 1 1 49 49 LEU HD13 H 1 0.417 0.003 . 2 . . . . 68 LEU MD1 . 17257 1 565 . 1 1 49 49 LEU HD21 H 1 0.740 0.004 . 2 . . . . 68 LEU MD2 . 17257 1 566 . 1 1 49 49 LEU HD22 H 1 0.740 0.004 . 2 . . . . 68 LEU MD2 . 17257 1 567 . 1 1 49 49 LEU HD23 H 1 0.740 0.004 . 2 . . . . 68 LEU MD2 . 17257 1 568 . 1 1 49 49 LEU HG H 1 1.631 0.006 . 1 . . . . 68 LEU HG . 17257 1 569 . 1 1 49 49 LEU C C 13 179.059 0.004 . 1 . . . . 68 LEU C . 17257 1 570 . 1 1 49 49 LEU CA C 13 57.731 0.026 . 1 . . . . 68 LEU CA . 17257 1 571 . 1 1 49 49 LEU CB C 13 41.940 0.025 . 1 . . . . 68 LEU CB . 17257 1 572 . 1 1 49 49 LEU CD1 C 13 23.417 0.003 . 2 . . . . 68 LEU CD1 . 17257 1 573 . 1 1 49 49 LEU CD2 C 13 27.686 0.011 . 2 . . . . 68 LEU CD2 . 17257 1 574 . 1 1 49 49 LEU CG C 13 26.601 0.025 . 1 . . . . 68 LEU CG . 17257 1 575 . 1 1 49 49 LEU N N 15 116.152 0.030 . 1 . . . . 68 LEU N . 17257 1 576 . 1 1 50 50 GLU H H 1 8.603 0.001 . 1 . . . . 69 GLU H . 17257 1 577 . 1 1 50 50 GLU HA H 1 3.902 0.001 . 1 . . . . 69 GLU HA . 17257 1 578 . 1 1 50 50 GLU HB2 H 1 1.965 0.003 . 2 . . . . 69 GLU HB2 . 17257 1 579 . 1 1 50 50 GLU HB3 H 1 2.235 0.003 . 2 . . . . 69 GLU HB3 . 17257 1 580 . 1 1 50 50 GLU HG2 H 1 2.228 0.001 . 2 . . . . 69 GLU HG2 . 17257 1 581 . 1 1 50 50 GLU HG3 H 1 2.470 0.004 . 2 . . . . 69 GLU HG3 . 17257 1 582 . 1 1 50 50 GLU C C 13 179.283 0.000 . 1 . . . . 69 GLU C . 17257 1 583 . 1 1 50 50 GLU CA C 13 59.653 0.016 . 1 . . . . 69 GLU CA . 17257 1 584 . 1 1 50 50 GLU CB C 13 29.180 0.023 . 1 . . . . 69 GLU CB . 17257 1 585 . 1 1 50 50 GLU CG C 13 36.906 0.006 . 1 . . . . 69 GLU CG . 17257 1 586 . 1 1 50 50 GLU N N 15 119.212 0.017 . 1 . . . . 69 GLU N . 17257 1 587 . 1 1 51 51 ARG H H 1 7.635 0.005 . 1 . . . . 70 ARG H . 17257 1 588 . 1 1 51 51 ARG HA H 1 4.247 0.004 . 1 . . . . 70 ARG HA . 17257 1 589 . 1 1 51 51 ARG HB2 H 1 1.847 0.006 . 2 . . . . 70 ARG HB2 . 17257 1 590 . 1 1 51 51 ARG HB3 H 1 2.417 0.006 . 2 . . . . 70 ARG HB3 . 17257 1 591 . 1 1 51 51 ARG HD2 H 1 3.172 0.008 . 2 . . . . 70 ARG HD2 . 17257 1 592 . 1 1 51 51 ARG HD3 H 1 3.704 0.009 . 2 . . . . 70 ARG HD3 . 17257 1 593 . 1 1 51 51 ARG HE H 1 9.782 0.002 . 1 . . . . 70 ARG HE . 17257 1 594 . 1 1 51 51 ARG HG2 H 1 1.698 0.005 . 2 . . . . 70 ARG HG2 . 17257 1 595 . 1 1 51 51 ARG HG3 H 1 1.954 0.005 . 2 . . . . 70 ARG HG3 . 17257 1 596 . 1 1 51 51 ARG C C 13 177.758 0.004 . 1 . . . . 70 ARG C . 17257 1 597 . 1 1 51 51 ARG CA C 13 60.098 0.026 . 1 . . . . 70 ARG CA . 17257 1 598 . 1 1 51 51 ARG CB C 13 29.870 0.000 . 1 . . . . 70 ARG CB . 17257 1 599 . 1 1 51 51 ARG CD C 13 42.705 0.028 . 1 . . . . 70 ARG CD . 17257 1 600 . 1 1 51 51 ARG CG C 13 26.753 0.045 . 1 . . . . 70 ARG CG . 17257 1 601 . 1 1 51 51 ARG CZ C 13 159.923 0.000 . 1 . . . . 70 ARG CZ . 17257 1 602 . 1 1 51 51 ARG N N 15 123.058 0.010 . 1 . . . . 70 ARG N . 17257 1 603 . 1 1 51 51 ARG NE N 15 83.377 0.000 . 1 . . . . 70 ARG NE . 17257 1 604 . 1 1 52 52 TRP H H 1 9.170 0.005 . 1 . . . . 71 TRP H . 17257 1 605 . 1 1 52 52 TRP HA H 1 4.880 0.004 . 1 . . . . 71 TRP HA . 17257 1 606 . 1 1 52 52 TRP HB2 H 1 3.278 0.005 . 2 . . . . 71 TRP HB2 . 17257 1 607 . 1 1 52 52 TRP HB3 H 1 3.585 0.005 . 2 . . . . 71 TRP HB3 . 17257 1 608 . 1 1 52 52 TRP HD1 H 1 7.199 0.004 . 1 . . . . 71 TRP HD1 . 17257 1 609 . 1 1 52 52 TRP HE1 H 1 9.631 0.002 . 1 . . . . 71 TRP HE1 . 17257 1 610 . 1 1 52 52 TRP HH2 H 1 6.886 0.005 . 1 . . . . 71 TRP HH2 . 17257 1 611 . 1 1 52 52 TRP HZ2 H 1 7.098 0.006 . 1 . . . . 71 TRP HZ2 . 17257 1 612 . 1 1 52 52 TRP HZ3 H 1 6.597 0.003 . 1 . . . . 71 TRP HZ3 . 17257 1 613 . 1 1 52 52 TRP C C 13 180.230 0.034 . 1 . . . . 71 TRP C . 17257 1 614 . 1 1 52 52 TRP CA C 13 58.527 0.035 . 1 . . . . 71 TRP CA . 17257 1 615 . 1 1 52 52 TRP CB C 13 30.100 0.049 . 1 . . . . 71 TRP CB . 17257 1 616 . 1 1 52 52 TRP CD1 C 13 124.813 0.033 . 1 . . . . 71 TRP CD1 . 17257 1 617 . 1 1 52 52 TRP CH2 C 13 123.377 0.027 . 1 . . . . 71 TRP CH2 . 17257 1 618 . 1 1 52 52 TRP CZ2 C 13 114.680 0.039 . 1 . . . . 71 TRP CZ2 . 17257 1 619 . 1 1 52 52 TRP CZ3 C 13 121.173 0.031 . 1 . . . . 71 TRP CZ3 . 17257 1 620 . 1 1 52 52 TRP N N 15 118.551 0.005 . 1 . . . . 71 TRP N . 17257 1 621 . 1 1 52 52 TRP NE1 N 15 127.694 0.032 . 1 . . . . 71 TRP NE1 . 17257 1 622 . 1 1 53 53 ALA H H 1 8.943 0.002 . 1 . . . . 72 ALA H . 17257 1 623 . 1 1 53 53 ALA HA H 1 3.971 0.002 . 1 . . . . 72 ALA HA . 17257 1 624 . 1 1 53 53 ALA HB1 H 1 1.474 0.001 . 1 . . . . 72 ALA MB . 17257 1 625 . 1 1 53 53 ALA HB2 H 1 1.474 0.001 . 1 . . . . 72 ALA MB . 17257 1 626 . 1 1 53 53 ALA HB3 H 1 1.474 0.001 . 1 . . . . 72 ALA MB . 17257 1 627 . 1 1 53 53 ALA C C 13 179.009 0.014 . 1 . . . . 72 ALA C . 17257 1 628 . 1 1 53 53 ALA CA C 13 55.817 0.013 . 1 . . . . 72 ALA CA . 17257 1 629 . 1 1 53 53 ALA CB C 13 17.849 0.004 . 1 . . . . 72 ALA CB . 17257 1 630 . 1 1 53 53 ALA N N 15 121.120 0.015 . 1 . . . . 72 ALA N . 17257 1 631 . 1 1 54 54 ALA H H 1 8.240 0.001 . 1 . . . . 73 ALA H . 17257 1 632 . 1 1 54 54 ALA HA H 1 4.240 0.002 . 1 . . . . 73 ALA HA . 17257 1 633 . 1 1 54 54 ALA HB1 H 1 1.620 0.003 . 1 . . . . 73 ALA MB . 17257 1 634 . 1 1 54 54 ALA HB2 H 1 1.620 0.003 . 1 . . . . 73 ALA MB . 17257 1 635 . 1 1 54 54 ALA HB3 H 1 1.620 0.003 . 1 . . . . 73 ALA MB . 17257 1 636 . 1 1 54 54 ALA C C 13 181.735 0.018 . 1 . . . . 73 ALA C . 17257 1 637 . 1 1 54 54 ALA CA C 13 55.350 0.001 . 1 . . . . 73 ALA CA . 17257 1 638 . 1 1 54 54 ALA CB C 13 18.215 0.011 . 1 . . . . 73 ALA CB . 17257 1 639 . 1 1 54 54 ALA N N 15 121.671 0.002 . 1 . . . . 73 ALA N . 17257 1 640 . 1 1 55 55 ASP H H 1 8.879 0.001 . 1 . . . . 74 ASP H . 17257 1 641 . 1 1 55 55 ASP HA H 1 4.334 0.006 . 1 . . . . 74 ASP HA . 17257 1 642 . 1 1 55 55 ASP HB2 H 1 2.301 0.005 . 2 . . . . 74 ASP HB2 . 17257 1 643 . 1 1 55 55 ASP HB3 H 1 2.719 0.004 . 2 . . . . 74 ASP HB3 . 17257 1 644 . 1 1 55 55 ASP C C 13 177.376 0.030 . 1 . . . . 74 ASP C . 17257 1 645 . 1 1 55 55 ASP CA C 13 56.318 0.023 . 1 . . . . 74 ASP CA . 17257 1 646 . 1 1 55 55 ASP CB C 13 40.207 0.008 . 1 . . . . 74 ASP CB . 17257 1 647 . 1 1 55 55 ASP N N 15 117.663 0.005 . 1 . . . . 74 ASP N . 17257 1 648 . 1 1 56 56 SER H H 1 7.465 0.002 . 1 . . . . 75 SER H . 17257 1 649 . 1 1 56 56 SER HA H 1 4.401 0.002 . 1 . . . . 75 SER HA . 17257 1 650 . 1 1 56 56 SER HB2 H 1 3.488 0.004 . 2 . . . . 75 SER HB2 . 17257 1 651 . 1 1 56 56 SER HB3 H 1 3.879 0.003 . 2 . . . . 75 SER HB3 . 17257 1 652 . 1 1 56 56 SER C C 13 173.264 0.020 . 1 . . . . 75 SER C . 17257 1 653 . 1 1 56 56 SER CA C 13 57.269 0.045 . 1 . . . . 75 SER CA . 17257 1 654 . 1 1 56 56 SER CB C 13 64.238 0.043 . 1 . . . . 75 SER CB . 17257 1 655 . 1 1 56 56 SER N N 15 110.749 0.008 . 1 . . . . 75 SER N . 17257 1 656 . 1 1 57 57 ASN H H 1 7.790 0.004 . 1 . . . . 76 ASN H . 17257 1 657 . 1 1 57 57 ASN HA H 1 4.477 0.002 . 1 . . . . 76 ASN HA . 17257 1 658 . 1 1 57 57 ASN HB2 H 1 2.764 0.005 . 2 . . . . 76 ASN HB2 . 17257 1 659 . 1 1 57 57 ASN HB3 H 1 3.165 0.003 . 2 . . . . 76 ASN HB3 . 17257 1 660 . 1 1 57 57 ASN HD21 H 1 6.750 0.005 . 2 . . . . 76 ASN HD21 . 17257 1 661 . 1 1 57 57 ASN HD22 H 1 7.451 0.001 . 2 . . . . 76 ASN HD22 . 17257 1 662 . 1 1 57 57 ASN C C 13 174.317 0.000 . 1 . . . . 76 ASN C . 17257 1 663 . 1 1 57 57 ASN CA C 13 54.711 0.023 . 1 . . . . 76 ASN CA . 17257 1 664 . 1 1 57 57 ASN CB C 13 37.247 0.017 . 1 . . . . 76 ASN CB . 17257 1 665 . 1 1 57 57 ASN CG C 13 178.453 0.001 . 1 . . . . 76 ASN CG . 17257 1 666 . 1 1 57 57 ASN N N 15 117.724 0.075 . 1 . . . . 76 ASN N . 17257 1 667 . 1 1 57 57 ASN ND2 N 15 111.861 0.027 . 1 . . . . 76 ASN ND2 . 17257 1 668 . 1 1 58 58 MET H H 1 8.669 0.002 . 1 . . . . 77 MET H . 17257 1 669 . 1 1 58 58 MET HA H 1 4.828 0.002 . 1 . . . . 77 MET HA . 17257 1 670 . 1 1 58 58 MET HB2 H 1 1.581 0.006 . 2 . . . . 77 MET HB2 . 17257 1 671 . 1 1 58 58 MET HB3 H 1 2.191 0.004 . 2 . . . . 77 MET HB3 . 17257 1 672 . 1 1 58 58 MET HE1 H 1 1.942 0.002 . 1 . . . . 77 MET ME . 17257 1 673 . 1 1 58 58 MET HE2 H 1 1.942 0.002 . 1 . . . . 77 MET ME . 17257 1 674 . 1 1 58 58 MET HE3 H 1 1.942 0.002 . 1 . . . . 77 MET ME . 17257 1 675 . 1 1 58 58 MET HG2 H 1 2.308 0.003 . 2 . . . . 77 MET HG2 . 17257 1 676 . 1 1 58 58 MET HG3 H 1 2.619 0.003 . 2 . . . . 77 MET HG3 . 17257 1 677 . 1 1 58 58 MET C C 13 175.083 0.001 . 1 . . . . 77 MET C . 17257 1 678 . 1 1 58 58 MET CA C 13 54.941 0.026 . 1 . . . . 77 MET CA . 17257 1 679 . 1 1 58 58 MET CB C 13 37.608 0.007 . 1 . . . . 77 MET CB . 17257 1 680 . 1 1 58 58 MET CE C 13 17.572 0.001 . 1 . . . . 77 MET CE . 17257 1 681 . 1 1 58 58 MET CG C 13 32.647 0.026 . 1 . . . . 77 MET CG . 17257 1 682 . 1 1 58 58 MET N N 15 116.546 0.009 . 1 . . . . 77 MET N . 17257 1 683 . 1 1 59 59 GLN H H 1 8.380 0.002 . 1 . . . . 78 GLN H . 17257 1 684 . 1 1 59 59 GLN HA H 1 4.575 0.002 . 1 . . . . 78 GLN HA . 17257 1 685 . 1 1 59 59 GLN HB2 H 1 1.869 0.004 . 2 . . . . 78 GLN HB2 . 17257 1 686 . 1 1 59 59 GLN HB3 H 1 2.049 0.003 . 2 . . . . 78 GLN HB3 . 17257 1 687 . 1 1 59 59 GLN HE21 H 1 6.762 0.005 . 2 . . . . 78 GLN HE21 . 17257 1 688 . 1 1 59 59 GLN HE22 H 1 7.434 0.004 . 2 . . . . 78 GLN HE22 . 17257 1 689 . 1 1 59 59 GLN HG2 H 1 2.306 0.004 . 2 . . . . 78 GLN HG2 . 17257 1 690 . 1 1 59 59 GLN HG3 H 1 2.382 0.003 . 2 . . . . 78 GLN HG3 . 17257 1 691 . 1 1 59 59 GLN C C 13 174.742 0.003 . 1 . . . . 78 GLN C . 17257 1 692 . 1 1 59 59 GLN CA C 13 54.742 0.034 . 1 . . . . 78 GLN CA . 17257 1 693 . 1 1 59 59 GLN CB C 13 31.051 0.010 . 1 . . . . 78 GLN CB . 17257 1 694 . 1 1 59 59 GLN CD C 13 180.206 0.006 . 1 . . . . 78 GLN CD . 17257 1 695 . 1 1 59 59 GLN CG C 13 34.110 0.004 . 1 . . . . 78 GLN CG . 17257 1 696 . 1 1 59 59 GLN N N 15 118.741 0.011 . 1 . . . . 78 GLN N . 17257 1 697 . 1 1 59 59 GLN NE2 N 15 111.668 0.011 . 1 . . . . 78 GLN NE2 . 17257 1 698 . 1 1 60 60 LEU H H 1 8.807 0.005 . 1 . . . . 79 LEU H . 17257 1 699 . 1 1 60 60 LEU HA H 1 5.096 0.003 . 1 . . . . 79 LEU HA . 17257 1 700 . 1 1 60 60 LEU HB2 H 1 1.131 0.004 . 2 . . . . 79 LEU HB2 . 17257 1 701 . 1 1 60 60 LEU HB3 H 1 2.018 0.006 . 2 . . . . 79 LEU HB3 . 17257 1 702 . 1 1 60 60 LEU HD11 H 1 0.914 0.003 . 2 . . . . 79 LEU MD1 . 17257 1 703 . 1 1 60 60 LEU HD12 H 1 0.914 0.003 . 2 . . . . 79 LEU MD1 . 17257 1 704 . 1 1 60 60 LEU HD13 H 1 0.914 0.003 . 2 . . . . 79 LEU MD1 . 17257 1 705 . 1 1 60 60 LEU HD21 H 1 0.973 0.003 . 2 . . . . 79 LEU MD2 . 17257 1 706 . 1 1 60 60 LEU HD22 H 1 0.973 0.003 . 2 . . . . 79 LEU MD2 . 17257 1 707 . 1 1 60 60 LEU HD23 H 1 0.973 0.003 . 2 . . . . 79 LEU MD2 . 17257 1 708 . 1 1 60 60 LEU HG H 1 1.559 0.004 . 1 . . . . 79 LEU HG . 17257 1 709 . 1 1 60 60 LEU C C 13 175.984 0.009 . 1 . . . . 79 LEU C . 17257 1 710 . 1 1 60 60 LEU CA C 13 54.074 0.024 . 1 . . . . 79 LEU CA . 17257 1 711 . 1 1 60 60 LEU CB C 13 44.168 0.014 . 1 . . . . 79 LEU CB . 17257 1 712 . 1 1 60 60 LEU CD1 C 13 27.583 0.009 . 2 . . . . 79 LEU CD1 . 17257 1 713 . 1 1 60 60 LEU CD2 C 13 24.863 0.013 . 2 . . . . 79 LEU CD2 . 17257 1 714 . 1 1 60 60 LEU CG C 13 27.796 0.009 . 1 . . . . 79 LEU CG . 17257 1 715 . 1 1 60 60 LEU N N 15 125.050 0.032 . 1 . . . . 79 LEU N . 17257 1 716 . 1 1 61 61 SER H H 1 9.209 0.004 . 1 . . . . 80 SER H . 17257 1 717 . 1 1 61 61 SER HA H 1 4.784 0.002 . 1 . . . . 80 SER HA . 17257 1 718 . 1 1 61 61 SER HB2 H 1 3.628 0.003 . 2 . . . . 80 SER HB2 . 17257 1 719 . 1 1 61 61 SER HB3 H 1 3.970 0.001 . 2 . . . . 80 SER HB3 . 17257 1 720 . 1 1 61 61 SER C C 13 171.767 0.000 . 1 . . . . 80 SER C . 17257 1 721 . 1 1 61 61 SER CA C 13 56.621 0.031 . 1 . . . . 80 SER CA . 17257 1 722 . 1 1 61 61 SER CB C 13 63.416 0.031 . 1 . . . . 80 SER CB . 17257 1 723 . 1 1 61 61 SER N N 15 124.297 0.016 . 1 . . . . 80 SER N . 17257 1 724 . 1 1 62 62 TYR H H 1 9.118 0.003 . 1 . . . . 81 TYR H . 17257 1 725 . 1 1 62 62 TYR HA H 1 4.483 0.002 . 1 . . . . 81 TYR HA . 17257 1 726 . 1 1 62 62 TYR HB2 H 1 2.342 0.006 . 2 . . . . 81 TYR HB2 . 17257 1 727 . 1 1 62 62 TYR HB3 H 1 3.468 0.004 . 2 . . . . 81 TYR HB3 . 17257 1 728 . 1 1 62 62 TYR HD1 H 1 6.998 0.005 . 3 . . . . 81 TYR HD1 . 17257 1 729 . 1 1 62 62 TYR HD2 H 1 6.998 0.005 . 3 . . . . 81 TYR HD2 . 17257 1 730 . 1 1 62 62 TYR HE1 H 1 6.586 0.005 . 3 . . . . 81 TYR HE1 . 17257 1 731 . 1 1 62 62 TYR HE2 H 1 6.586 0.005 . 3 . . . . 81 TYR HE2 . 17257 1 732 . 1 1 62 62 TYR C C 13 174.321 0.004 . 1 . . . . 81 TYR C . 17257 1 733 . 1 1 62 62 TYR CA C 13 58.284 0.007 . 1 . . . . 81 TYR CA . 17257 1 734 . 1 1 62 62 TYR CB C 13 38.815 0.001 . 1 . . . . 81 TYR CB . 17257 1 735 . 1 1 62 62 TYR CD1 C 13 132.597 0.060 . 3 . . . . 81 TYR CD1 . 17257 1 736 . 1 1 62 62 TYR CD2 C 13 132.597 0.060 . 3 . . . . 81 TYR CD2 . 17257 1 737 . 1 1 62 62 TYR CE1 C 13 118.659 0.017 . 3 . . . . 81 TYR CE1 . 17257 1 738 . 1 1 62 62 TYR CE2 C 13 118.659 0.017 . 3 . . . . 81 TYR CE2 . 17257 1 739 . 1 1 62 62 TYR N N 15 129.164 0.015 . 1 . . . . 81 TYR N . 17257 1 740 . 1 1 63 63 ASN H H 1 8.243 0.001 . 1 . . . . 82 ASN H . 17257 1 741 . 1 1 63 63 ASN HA H 1 5.142 0.003 . 1 . . . . 82 ASN HA . 17257 1 742 . 1 1 63 63 ASN HB2 H 1 2.841 0.002 . 2 . . . . 82 ASN HB2 . 17257 1 743 . 1 1 63 63 ASN HB3 H 1 3.050 0.002 . 2 . . . . 82 ASN HB3 . 17257 1 744 . 1 1 63 63 ASN HD21 H 1 6.798 0.006 . 2 . . . . 82 ASN HD21 . 17257 1 745 . 1 1 63 63 ASN HD22 H 1 6.997 0.005 . 2 . . . . 82 ASN HD22 . 17257 1 746 . 1 1 63 63 ASN C C 13 173.951 0.000 . 1 . . . . 82 ASN C . 17257 1 747 . 1 1 63 63 ASN CA C 13 52.680 0.018 . 1 . . . . 82 ASN CA . 17257 1 748 . 1 1 63 63 ASN CB C 13 38.437 0.011 . 1 . . . . 82 ASN CB . 17257 1 749 . 1 1 63 63 ASN CG C 13 177.479 0.008 . 1 . . . . 82 ASN CG . 17257 1 750 . 1 1 63 63 ASN N N 15 126.914 0.042 . 1 . . . . 82 ASN N . 17257 1 751 . 1 1 63 63 ASN ND2 N 15 111.885 0.032 . 1 . . . . 82 ASN ND2 . 17257 1 752 . 1 1 64 64 LEU H H 1 6.213 0.003 . 1 . . . . 83 LEU H . 17257 1 753 . 1 1 64 64 LEU HA H 1 4.795 0.006 . 1 . . . . 83 LEU HA . 17257 1 754 . 1 1 64 64 LEU HB2 H 1 1.596 0.006 . 2 . . . . 83 LEU HB2 . 17257 1 755 . 1 1 64 64 LEU HB3 H 1 1.795 0.004 . 2 . . . . 83 LEU HB3 . 17257 1 756 . 1 1 64 64 LEU HD11 H 1 0.754 0.003 . 2 . . . . 83 LEU MD1 . 17257 1 757 . 1 1 64 64 LEU HD12 H 1 0.754 0.003 . 2 . . . . 83 LEU MD1 . 17257 1 758 . 1 1 64 64 LEU HD13 H 1 0.754 0.003 . 2 . . . . 83 LEU MD1 . 17257 1 759 . 1 1 64 64 LEU HD21 H 1 0.759 0.002 . 2 . . . . 83 LEU MD2 . 17257 1 760 . 1 1 64 64 LEU HD22 H 1 0.759 0.002 . 2 . . . . 83 LEU MD2 . 17257 1 761 . 1 1 64 64 LEU HD23 H 1 0.759 0.002 . 2 . . . . 83 LEU MD2 . 17257 1 762 . 1 1 64 64 LEU HG H 1 1.020 0.006 . 1 . . . . 83 LEU HG . 17257 1 763 . 1 1 64 64 LEU C C 13 176.131 0.000 . 1 . . . . 83 LEU C . 17257 1 764 . 1 1 64 64 LEU CA C 13 52.064 0.000 . 1 . . . . 83 LEU CA . 17257 1 765 . 1 1 64 64 LEU CB C 13 42.963 0.000 . 1 . . . . 83 LEU CB . 17257 1 766 . 1 1 64 64 LEU CD1 C 13 27.233 0.020 . 2 . . . . 83 LEU CD1 . 17257 1 767 . 1 1 64 64 LEU CD2 C 13 23.085 0.005 . 2 . . . . 83 LEU CD2 . 17257 1 768 . 1 1 64 64 LEU CG C 13 27.280 0.036 . 1 . . . . 83 LEU CG . 17257 1 769 . 1 1 64 64 LEU N N 15 116.045 0.019 . 1 . . . . 83 LEU N . 17257 1 770 . 1 1 65 65 PRO HA H 1 4.603 0.005 . 1 . . . . 84 PRO HA . 17257 1 771 . 1 1 65 65 PRO HB2 H 1 2.169 0.004 . 2 . . . . 84 PRO HB2 . 17257 1 772 . 1 1 65 65 PRO HB3 H 1 2.274 0.002 . 2 . . . . 84 PRO HB3 . 17257 1 773 . 1 1 65 65 PRO HD2 H 1 3.737 0.003 . 2 . . . . 84 PRO HD2 . 17257 1 774 . 1 1 65 65 PRO HD3 H 1 3.911 0.007 . 2 . . . . 84 PRO HD3 . 17257 1 775 . 1 1 65 65 PRO HG2 H 1 2.032 0.003 . 2 . . . . 84 PRO HG2 . 17257 1 776 . 1 1 65 65 PRO HG3 H 1 2.127 0.004 . 2 . . . . 84 PRO HG3 . 17257 1 777 . 1 1 65 65 PRO C C 13 175.587 0.000 . 1 . . . . 84 PRO C . 17257 1 778 . 1 1 65 65 PRO CA C 13 63.715 0.000 . 1 . . . . 84 PRO CA . 17257 1 779 . 1 1 65 65 PRO CB C 13 32.070 0.019 . 1 . . . . 84 PRO CB . 17257 1 780 . 1 1 65 65 PRO CD C 13 50.489 0.029 . 1 . . . . 84 PRO CD . 17257 1 781 . 1 1 65 65 PRO CG C 13 26.848 0.018 . 1 . . . . 84 PRO CG . 17257 1 782 . 1 1 66 66 SER H H 1 7.143 0.002 . 1 . . . . 85 SER H . 17257 1 783 . 1 1 66 66 SER HA H 1 4.780 0.000 . 1 . . . . 85 SER HA . 17257 1 784 . 1 1 66 66 SER HB2 H 1 3.584 0.001 . 2 . . . . 85 SER HB2 . 17257 1 785 . 1 1 66 66 SER HB3 H 1 3.584 0.001 . 2 . . . . 85 SER HB3 . 17257 1 786 . 1 1 66 66 SER C C 13 172.102 0.000 . 1 . . . . 85 SER C . 17257 1 787 . 1 1 66 66 SER CA C 13 56.601 0.006 . 1 . . . . 85 SER CA . 17257 1 788 . 1 1 66 66 SER CB C 13 65.840 0.027 . 1 . . . . 85 SER CB . 17257 1 789 . 1 1 66 66 SER N N 15 111.767 0.006 . 1 . . . . 85 SER N . 17257 1 790 . 1 1 67 67 ASP H H 1 8.452 0.005 . 1 . . . . 86 ASP H . 17257 1 791 . 1 1 67 67 ASP HA H 1 5.053 0.004 . 1 . . . . 86 ASP HA . 17257 1 792 . 1 1 67 67 ASP HB2 H 1 2.378 0.006 . 2 . . . . 86 ASP HB2 . 17257 1 793 . 1 1 67 67 ASP HB3 H 1 2.679 0.005 . 2 . . . . 86 ASP HB3 . 17257 1 794 . 1 1 67 67 ASP C C 13 174.664 0.000 . 1 . . . . 86 ASP C . 17257 1 795 . 1 1 67 67 ASP CA C 13 51.896 0.023 . 1 . . . . 86 ASP CA . 17257 1 796 . 1 1 67 67 ASP CB C 13 42.559 0.046 . 1 . . . . 86 ASP CB . 17257 1 797 . 1 1 67 67 ASP N N 15 122.391 0.024 . 1 . . . . 86 ASP N . 17257 1 798 . 1 1 68 68 TYR H H 1 9.560 0.003 . 1 . . . . 87 TYR H . 17257 1 799 . 1 1 68 68 TYR HA H 1 4.915 0.000 . 1 . . . . 87 TYR HA . 17257 1 800 . 1 1 68 68 TYR HB2 H 1 2.397 0.010 . 2 . . . . 87 TYR HB2 . 17257 1 801 . 1 1 68 68 TYR HB3 H 1 3.219 0.005 . 2 . . . . 87 TYR HB3 . 17257 1 802 . 1 1 68 68 TYR HD1 H 1 7.078 0.005 . 3 . . . . 87 TYR HD1 . 17257 1 803 . 1 1 68 68 TYR HD2 H 1 7.078 0.005 . 3 . . . . 87 TYR HD2 . 17257 1 804 . 1 1 68 68 TYR HE1 H 1 6.700 0.006 . 3 . . . . 87 TYR HE1 . 17257 1 805 . 1 1 68 68 TYR HE2 H 1 6.700 0.006 . 3 . . . . 87 TYR HE2 . 17257 1 806 . 1 1 68 68 TYR C C 13 175.687 0.000 . 1 . . . . 87 TYR C . 17257 1 807 . 1 1 68 68 TYR CA C 13 57.540 0.029 . 1 . . . . 87 TYR CA . 17257 1 808 . 1 1 68 68 TYR CB C 13 43.184 0.074 . 1 . . . . 87 TYR CB . 17257 1 809 . 1 1 68 68 TYR CD1 C 13 132.648 0.001 . 3 . . . . 87 TYR CD1 . 17257 1 810 . 1 1 68 68 TYR CD2 C 13 132.648 0.001 . 3 . . . . 87 TYR CD2 . 17257 1 811 . 1 1 68 68 TYR CE1 C 13 118.387 0.026 . 3 . . . . 87 TYR CE1 . 17257 1 812 . 1 1 68 68 TYR CE2 C 13 118.387 0.026 . 3 . . . . 87 TYR CE2 . 17257 1 813 . 1 1 68 68 TYR N N 15 119.356 0.018 . 1 . . . . 87 TYR N . 17257 1 814 . 1 1 69 69 THR H H 1 8.538 0.001 . 1 . . . . 88 THR H . 17257 1 815 . 1 1 69 69 THR HA H 1 4.241 0.001 . 1 . . . . 88 THR HA . 17257 1 816 . 1 1 69 69 THR HG21 H 1 1.340 0.001 . 1 . . . . 88 THR MG . 17257 1 817 . 1 1 69 69 THR HG22 H 1 1.340 0.001 . 1 . . . . 88 THR MG . 17257 1 818 . 1 1 69 69 THR HG23 H 1 1.340 0.001 . 1 . . . . 88 THR MG . 17257 1 819 . 1 1 69 69 THR CA C 13 62.804 0.000 . 1 . . . . 88 THR CA . 17257 1 820 . 1 1 69 69 THR CG2 C 13 22.956 0.000 . 1 . . . . 88 THR CG2 . 17257 1 821 . 1 1 69 69 THR N N 15 115.326 0.011 . 1 . . . . 88 THR N . 17257 1 822 . 1 1 70 70 LEU H H 1 8.221 0.002 . 1 . . . . 89 LEU H . 17257 1 823 . 1 1 70 70 LEU HA H 1 4.497 0.005 . 1 . . . . 89 LEU HA . 17257 1 824 . 1 1 70 70 LEU HB2 H 1 1.172 0.008 . 2 . . . . 89 LEU HB2 . 17257 1 825 . 1 1 70 70 LEU HB3 H 1 1.694 0.005 . 2 . . . . 89 LEU HB3 . 17257 1 826 . 1 1 70 70 LEU HD11 H 1 0.866 0.001 . 2 . . . . 89 LEU MD1 . 17257 1 827 . 1 1 70 70 LEU HD12 H 1 0.866 0.001 . 2 . . . . 89 LEU MD1 . 17257 1 828 . 1 1 70 70 LEU HD13 H 1 0.866 0.001 . 2 . . . . 89 LEU MD1 . 17257 1 829 . 1 1 70 70 LEU HD21 H 1 0.874 0.001 . 2 . . . . 89 LEU MD2 . 17257 1 830 . 1 1 70 70 LEU HD22 H 1 0.874 0.001 . 2 . . . . 89 LEU MD2 . 17257 1 831 . 1 1 70 70 LEU HD23 H 1 0.874 0.001 . 2 . . . . 89 LEU MD2 . 17257 1 832 . 1 1 70 70 LEU HG H 1 1.279 0.004 . 1 . . . . 89 LEU HG . 17257 1 833 . 1 1 70 70 LEU CA C 13 54.959 0.001 . 1 . . . . 89 LEU CA . 17257 1 834 . 1 1 70 70 LEU CB C 13 41.504 0.041 . 1 . . . . 89 LEU CB . 17257 1 835 . 1 1 70 70 LEU CD1 C 13 26.588 0.002 . 2 . . . . 89 LEU CD1 . 17257 1 836 . 1 1 70 70 LEU CD2 C 13 23.181 0.052 . 2 . . . . 89 LEU CD2 . 17257 1 837 . 1 1 70 70 LEU CG C 13 27.468 0.004 . 1 . . . . 89 LEU CG . 17257 1 838 . 1 1 70 70 LEU N N 15 124.477 0.032 . 1 . . . . 89 LEU N . 17257 1 839 . 1 1 71 71 ILE H H 1 6.623 0.005 . 1 . . . . 90 ILE H . 17257 1 840 . 1 1 71 71 ILE HA H 1 4.628 0.001 . 1 . . . . 90 ILE HA . 17257 1 841 . 1 1 71 71 ILE HB H 1 1.932 0.005 . 1 . . . . 90 ILE HB . 17257 1 842 . 1 1 71 71 ILE HD11 H 1 0.538 0.004 . 1 . . . . 90 ILE MD . 17257 1 843 . 1 1 71 71 ILE HD12 H 1 0.538 0.004 . 1 . . . . 90 ILE MD . 17257 1 844 . 1 1 71 71 ILE HD13 H 1 0.538 0.004 . 1 . . . . 90 ILE MD . 17257 1 845 . 1 1 71 71 ILE HG12 H 1 1.018 0.005 . 2 . . . . 90 ILE HG12 . 17257 1 846 . 1 1 71 71 ILE HG13 H 1 1.018 0.005 . 2 . . . . 90 ILE HG13 . 17257 1 847 . 1 1 71 71 ILE HG21 H 1 0.849 0.005 . 1 . . . . 90 ILE MG . 17257 1 848 . 1 1 71 71 ILE HG22 H 1 0.849 0.005 . 1 . . . . 90 ILE MG . 17257 1 849 . 1 1 71 71 ILE HG23 H 1 0.849 0.005 . 1 . . . . 90 ILE MG . 17257 1 850 . 1 1 71 71 ILE C C 13 176.424 0.000 . 1 . . . . 90 ILE C . 17257 1 851 . 1 1 71 71 ILE CA C 13 60.376 0.000 . 1 . . . . 90 ILE CA . 17257 1 852 . 1 1 71 71 ILE CB C 13 40.396 0.012 . 1 . . . . 90 ILE CB . 17257 1 853 . 1 1 71 71 ILE CD1 C 13 13.541 0.002 . 1 . . . . 90 ILE CD1 . 17257 1 854 . 1 1 71 71 ILE CG1 C 13 25.578 0.000 . 1 . . . . 90 ILE CG1 . 17257 1 855 . 1 1 71 71 ILE CG2 C 13 18.493 0.011 . 1 . . . . 90 ILE CG2 . 17257 1 856 . 1 1 71 71 ILE N N 15 116.871 0.051 . 1 . . . . 90 ILE N . 17257 1 857 . 1 1 72 72 GLY H H 1 8.662 0.002 . 1 . . . . 91 GLY H . 17257 1 858 . 1 1 72 72 GLY HA2 H 1 3.833 0.002 . 2 . . . . 91 GLY HA2 . 17257 1 859 . 1 1 72 72 GLY HA3 H 1 4.159 0.002 . 2 . . . . 91 GLY HA3 . 17257 1 860 . 1 1 72 72 GLY CA C 13 48.700 0.000 . 1 . . . . 91 GLY CA . 17257 1 861 . 1 1 72 72 GLY N N 15 109.067 0.008 . 1 . . . . 91 GLY N . 17257 1 862 . 1 1 73 73 PRO HA H 1 4.433 0.003 . 1 . . . . 92 PRO HA . 17257 1 863 . 1 1 73 73 PRO HB2 H 1 1.692 0.003 . 2 . . . . 92 PRO HB2 . 17257 1 864 . 1 1 73 73 PRO HB3 H 1 2.489 0.003 . 2 . . . . 92 PRO HB3 . 17257 1 865 . 1 1 73 73 PRO HD2 H 1 3.327 0.001 . 2 . . . . 92 PRO HD2 . 17257 1 866 . 1 1 73 73 PRO HD3 H 1 3.751 0.004 . 2 . . . . 92 PRO HD3 . 17257 1 867 . 1 1 73 73 PRO HG2 H 1 1.984 0.007 . 2 . . . . 92 PRO HG2 . 17257 1 868 . 1 1 73 73 PRO HG3 H 1 1.984 0.007 . 2 . . . . 92 PRO HG3 . 17257 1 869 . 1 1 73 73 PRO C C 13 178.374 0.000 . 1 . . . . 92 PRO C . 17257 1 870 . 1 1 73 73 PRO CA C 13 64.924 0.001 . 1 . . . . 92 PRO CA . 17257 1 871 . 1 1 73 73 PRO CB C 13 32.739 0.001 . 1 . . . . 92 PRO CB . 17257 1 872 . 1 1 73 73 PRO CD C 13 51.472 0.006 . 1 . . . . 92 PRO CD . 17257 1 873 . 1 1 73 73 PRO CG C 13 27.530 0.000 . 1 . . . . 92 PRO CG . 17257 1 874 . 1 1 74 74 VAL H H 1 8.172 0.003 . 1 . . . . 93 VAL H . 17257 1 875 . 1 1 74 74 VAL HA H 1 3.752 0.002 . 1 . . . . 93 VAL HA . 17257 1 876 . 1 1 74 74 VAL HB H 1 2.316 0.003 . 1 . . . . 93 VAL HB . 17257 1 877 . 1 1 74 74 VAL HG11 H 1 1.118 0.003 . 2 . . . . 93 VAL MG1 . 17257 1 878 . 1 1 74 74 VAL HG12 H 1 1.118 0.003 . 2 . . . . 93 VAL MG1 . 17257 1 879 . 1 1 74 74 VAL HG13 H 1 1.118 0.003 . 2 . . . . 93 VAL MG1 . 17257 1 880 . 1 1 74 74 VAL HG21 H 1 1.189 0.005 . 2 . . . . 93 VAL MG2 . 17257 1 881 . 1 1 74 74 VAL HG22 H 1 1.189 0.005 . 2 . . . . 93 VAL MG2 . 17257 1 882 . 1 1 74 74 VAL HG23 H 1 1.189 0.005 . 2 . . . . 93 VAL MG2 . 17257 1 883 . 1 1 74 74 VAL C C 13 178.198 0.006 . 1 . . . . 93 VAL C . 17257 1 884 . 1 1 74 74 VAL CA C 13 65.509 0.023 . 1 . . . . 93 VAL CA . 17257 1 885 . 1 1 74 74 VAL CB C 13 31.264 0.029 . 1 . . . . 93 VAL CB . 17257 1 886 . 1 1 74 74 VAL CG1 C 13 22.578 0.004 . 2 . . . . 93 VAL CG1 . 17257 1 887 . 1 1 74 74 VAL CG2 C 13 24.508 0.008 . 2 . . . . 93 VAL CG2 . 17257 1 888 . 1 1 74 74 VAL N N 15 116.940 0.023 . 1 . . . . 93 VAL N . 17257 1 889 . 1 1 75 75 SER H H 1 8.268 0.005 . 1 . . . . 94 SER H . 17257 1 890 . 1 1 75 75 SER HA H 1 4.221 0.001 . 1 . . . . 94 SER HA . 17257 1 891 . 1 1 75 75 SER HB2 H 1 4.003 0.004 . 2 . . . . 94 SER HB2 . 17257 1 892 . 1 1 75 75 SER HB3 H 1 4.003 0.004 . 2 . . . . 94 SER HB3 . 17257 1 893 . 1 1 75 75 SER C C 13 173.269 0.011 . 1 . . . . 94 SER C . 17257 1 894 . 1 1 75 75 SER CA C 13 61.208 0.082 . 1 . . . . 94 SER CA . 17257 1 895 . 1 1 75 75 SER CB C 13 63.183 0.050 . 1 . . . . 94 SER CB . 17257 1 896 . 1 1 75 75 SER N N 15 115.860 0.010 . 1 . . . . 94 SER N . 17257 1 897 . 1 1 76 76 ALA H H 1 7.180 0.005 . 1 . . . . 95 ALA H . 17257 1 898 . 1 1 76 76 ALA HA H 1 4.386 0.003 . 1 . . . . 95 ALA HA . 17257 1 899 . 1 1 76 76 ALA HB1 H 1 1.462 0.004 . 1 . . . . 95 ALA MB . 17257 1 900 . 1 1 76 76 ALA HB2 H 1 1.462 0.004 . 1 . . . . 95 ALA MB . 17257 1 901 . 1 1 76 76 ALA HB3 H 1 1.462 0.004 . 1 . . . . 95 ALA MB . 17257 1 902 . 1 1 76 76 ALA C C 13 177.771 0.006 . 1 . . . . 95 ALA C . 17257 1 903 . 1 1 76 76 ALA CA C 13 52.315 0.023 . 1 . . . . 95 ALA CA . 17257 1 904 . 1 1 76 76 ALA CB C 13 19.554 0.013 . 1 . . . . 95 ALA CB . 17257 1 905 . 1 1 76 76 ALA N N 15 121.685 0.005 . 1 . . . . 95 ALA N . 17257 1 906 . 1 1 77 77 ILE H H 1 7.435 0.005 . 1 . . . . 96 ILE H . 17257 1 907 . 1 1 77 77 ILE HA H 1 3.929 0.003 . 1 . . . . 96 ILE HA . 17257 1 908 . 1 1 77 77 ILE HB H 1 2.075 0.007 . 1 . . . . 96 ILE HB . 17257 1 909 . 1 1 77 77 ILE HD11 H 1 1.088 0.001 . 1 . . . . 96 ILE MD . 17257 1 910 . 1 1 77 77 ILE HD12 H 1 1.088 0.001 . 1 . . . . 96 ILE MD . 17257 1 911 . 1 1 77 77 ILE HD13 H 1 1.088 0.001 . 1 . . . . 96 ILE MD . 17257 1 912 . 1 1 77 77 ILE HG12 H 1 1.314 0.004 . 2 . . . . 96 ILE HG12 . 17257 1 913 . 1 1 77 77 ILE HG13 H 1 1.850 0.002 . 2 . . . . 96 ILE HG13 . 17257 1 914 . 1 1 77 77 ILE HG21 H 1 1.064 0.000 . 1 . . . . 96 ILE MG . 17257 1 915 . 1 1 77 77 ILE HG22 H 1 1.064 0.000 . 1 . . . . 96 ILE MG . 17257 1 916 . 1 1 77 77 ILE HG23 H 1 1.064 0.000 . 1 . . . . 96 ILE MG . 17257 1 917 . 1 1 77 77 ILE C C 13 176.174 0.052 . 1 . . . . 96 ILE C . 17257 1 918 . 1 1 77 77 ILE CA C 13 62.940 0.050 . 1 . . . . 96 ILE CA . 17257 1 919 . 1 1 77 77 ILE CB C 13 38.330 0.026 . 1 . . . . 96 ILE CB . 17257 1 920 . 1 1 77 77 ILE CD1 C 13 14.709 0.002 . 1 . . . . 96 ILE CD1 . 17257 1 921 . 1 1 77 77 ILE CG1 C 13 27.450 0.017 . 1 . . . . 96 ILE CG1 . 17257 1 922 . 1 1 77 77 ILE CG2 C 13 15.450 0.013 . 1 . . . . 96 ILE CG2 . 17257 1 923 . 1 1 77 77 ILE N N 15 119.408 0.032 . 1 . . . . 96 ILE N . 17257 1 924 . 1 1 78 78 SER H H 1 8.910 0.005 . 1 . . . . 97 SER H . 17257 1 925 . 1 1 78 78 SER HA H 1 4.840 0.002 . 1 . . . . 97 SER HA . 17257 1 926 . 1 1 78 78 SER HB2 H 1 3.721 0.002 . 2 . . . . 97 SER HB2 . 17257 1 927 . 1 1 78 78 SER HB3 H 1 3.823 0.002 . 2 . . . . 97 SER HB3 . 17257 1 928 . 1 1 78 78 SER C C 13 173.078 0.000 . 1 . . . . 97 SER C . 17257 1 929 . 1 1 78 78 SER CA C 13 58.214 0.058 . 1 . . . . 97 SER CA . 17257 1 930 . 1 1 78 78 SER CB C 13 61.996 0.064 . 1 . . . . 97 SER CB . 17257 1 931 . 1 1 78 78 SER N N 15 123.485 0.022 . 1 . . . . 97 SER N . 17257 1 932 . 1 1 79 79 THR H H 1 7.981 0.004 . 1 . . . . 98 THR H . 17257 1 933 . 1 1 79 79 THR HA H 1 5.095 0.003 . 1 . . . . 98 THR HA . 17257 1 934 . 1 1 79 79 THR HB H 1 4.469 0.002 . 1 . . . . 98 THR HB . 17257 1 935 . 1 1 79 79 THR HG21 H 1 1.090 0.002 . 1 . . . . 98 THR MG . 17257 1 936 . 1 1 79 79 THR HG22 H 1 1.090 0.002 . 1 . . . . 98 THR MG . 17257 1 937 . 1 1 79 79 THR HG23 H 1 1.090 0.002 . 1 . . . . 98 THR MG . 17257 1 938 . 1 1 79 79 THR C C 13 172.368 0.017 . 1 . . . . 98 THR C . 17257 1 939 . 1 1 79 79 THR CA C 13 58.761 0.063 . 1 . . . . 98 THR CA . 17257 1 940 . 1 1 79 79 THR CB C 13 68.440 0.017 . 1 . . . . 98 THR CB . 17257 1 941 . 1 1 79 79 THR CG2 C 13 19.472 0.005 . 1 . . . . 98 THR CG2 . 17257 1 942 . 1 1 79 79 THR N N 15 120.396 0.019 . 1 . . . . 98 THR N . 17257 1 943 . 1 1 80 80 THR H H 1 8.330 0.001 . 1 . . . . 99 THR H . 17257 1 944 . 1 1 80 80 THR HA H 1 5.076 0.004 . 1 . . . . 99 THR HA . 17257 1 945 . 1 1 80 80 THR HB H 1 4.599 0.001 . 1 . . . . 99 THR HB . 17257 1 946 . 1 1 80 80 THR HG21 H 1 1.142 0.002 . 1 . . . . 99 THR MG . 17257 1 947 . 1 1 80 80 THR HG22 H 1 1.142 0.002 . 1 . . . . 99 THR MG . 17257 1 948 . 1 1 80 80 THR HG23 H 1 1.142 0.002 . 1 . . . . 99 THR MG . 17257 1 949 . 1 1 80 80 THR C C 13 174.887 0.002 . 1 . . . . 99 THR C . 17257 1 950 . 1 1 80 80 THR CA C 13 61.958 0.027 . 1 . . . . 99 THR CA . 17257 1 951 . 1 1 80 80 THR CB C 13 69.412 0.028 . 1 . . . . 99 THR CB . 17257 1 952 . 1 1 80 80 THR CG2 C 13 21.531 0.005 . 1 . . . . 99 THR CG2 . 17257 1 953 . 1 1 80 80 THR N N 15 117.002 0.019 . 1 . . . . 99 THR N . 17257 1 954 . 1 1 81 81 SER H H 1 8.449 0.006 . 1 . . . . 100 SER H . 17257 1 955 . 1 1 81 81 SER HA H 1 4.992 0.003 . 1 . . . . 100 SER HA . 17257 1 956 . 1 1 81 81 SER HB2 H 1 3.876 0.003 . 2 . . . . 100 SER HB2 . 17257 1 957 . 1 1 81 81 SER HB3 H 1 3.998 0.002 . 2 . . . . 100 SER HB3 . 17257 1 958 . 1 1 81 81 SER C C 13 174.824 0.000 . 1 . . . . 100 SER C . 17257 1 959 . 1 1 81 81 SER CA C 13 55.092 0.051 . 1 . . . . 100 SER CA . 17257 1 960 . 1 1 81 81 SER CB C 13 63.345 0.055 . 1 . . . . 100 SER CB . 17257 1 961 . 1 1 81 81 SER N N 15 117.845 0.055 . 1 . . . . 100 SER N . 17257 1 962 . 1 1 82 82 VAL H H 1 9.025 0.007 . 1 . . . . 101 VAL H . 17257 1 963 . 1 1 82 82 VAL HA H 1 2.898 0.002 . 1 . . . . 101 VAL HA . 17257 1 964 . 1 1 82 82 VAL HB H 1 1.690 0.002 . 1 . . . . 101 VAL HB . 17257 1 965 . 1 1 82 82 VAL HG11 H 1 0.477 0.002 . 2 . . . . 101 VAL MG1 . 17257 1 966 . 1 1 82 82 VAL HG12 H 1 0.477 0.002 . 2 . . . . 101 VAL MG1 . 17257 1 967 . 1 1 82 82 VAL HG13 H 1 0.477 0.002 . 2 . . . . 101 VAL MG1 . 17257 1 968 . 1 1 82 82 VAL HG21 H 1 0.924 0.002 . 2 . . . . 101 VAL MG2 . 17257 1 969 . 1 1 82 82 VAL HG22 H 1 0.924 0.002 . 2 . . . . 101 VAL MG2 . 17257 1 970 . 1 1 82 82 VAL HG23 H 1 0.924 0.002 . 2 . . . . 101 VAL MG2 . 17257 1 971 . 1 1 82 82 VAL C C 13 175.685 0.004 . 1 . . . . 101 VAL C . 17257 1 972 . 1 1 82 82 VAL CA C 13 64.347 0.024 . 1 . . . . 101 VAL CA . 17257 1 973 . 1 1 82 82 VAL CB C 13 30.465 0.029 . 1 . . . . 101 VAL CB . 17257 1 974 . 1 1 82 82 VAL CG1 C 13 21.956 0.002 . 2 . . . . 101 VAL CG1 . 17257 1 975 . 1 1 82 82 VAL CG2 C 13 19.507 0.003 . 2 . . . . 101 VAL CG2 . 17257 1 976 . 1 1 82 82 VAL N N 15 132.188 0.016 . 1 . . . . 101 VAL N . 17257 1 977 . 1 1 83 83 GLN H H 1 7.934 0.008 . 1 . . . . 102 GLN H . 17257 1 978 . 1 1 83 83 GLN HA H 1 3.912 0.003 . 1 . . . . 102 GLN HA . 17257 1 979 . 1 1 83 83 GLN HB2 H 1 1.984 0.003 . 2 . . . . 102 GLN HB2 . 17257 1 980 . 1 1 83 83 GLN HB3 H 1 1.984 0.003 . 2 . . . . 102 GLN HB3 . 17257 1 981 . 1 1 83 83 GLN HE21 H 1 6.852 0.005 . 2 . . . . 102 GLN HE21 . 17257 1 982 . 1 1 83 83 GLN HE22 H 1 7.420 0.005 . 2 . . . . 102 GLN HE22 . 17257 1 983 . 1 1 83 83 GLN HG2 H 1 2.341 0.003 . 2 . . . . 102 GLN HG2 . 17257 1 984 . 1 1 83 83 GLN HG3 H 1 2.480 0.002 . 2 . . . . 102 GLN HG3 . 17257 1 985 . 1 1 83 83 GLN C C 13 178.786 0.001 . 1 . . . . 102 GLN C . 17257 1 986 . 1 1 83 83 GLN CA C 13 59.574 0.012 . 1 . . . . 102 GLN CA . 17257 1 987 . 1 1 83 83 GLN CB C 13 27.999 0.022 . 1 . . . . 102 GLN CB . 17257 1 988 . 1 1 83 83 GLN CD C 13 179.666 0.006 . 1 . . . . 102 GLN CD . 17257 1 989 . 1 1 83 83 GLN CG C 13 34.172 0.005 . 1 . . . . 102 GLN CG . 17257 1 990 . 1 1 83 83 GLN N N 15 121.159 0.006 . 1 . . . . 102 GLN N . 17257 1 991 . 1 1 83 83 GLN NE2 N 15 111.208 0.001 . 1 . . . . 102 GLN NE2 . 17257 1 992 . 1 1 84 84 GLN H H 1 7.818 0.005 . 1 . . . . 103 GLN H . 17257 1 993 . 1 1 84 84 GLN HA H 1 4.069 0.003 . 1 . . . . 103 GLN HA . 17257 1 994 . 1 1 84 84 GLN HB2 H 1 2.176 0.004 . 2 . . . . 103 GLN HB2 . 17257 1 995 . 1 1 84 84 GLN HB3 H 1 2.298 0.004 . 2 . . . . 103 GLN HB3 . 17257 1 996 . 1 1 84 84 GLN HE21 H 1 6.910 0.004 . 2 . . . . 103 GLN HE21 . 17257 1 997 . 1 1 84 84 GLN HE22 H 1 7.926 0.004 . 2 . . . . 103 GLN HE22 . 17257 1 998 . 1 1 84 84 GLN HG2 H 1 2.413 0.005 . 2 . . . . 103 GLN HG2 . 17257 1 999 . 1 1 84 84 GLN HG3 H 1 2.488 0.003 . 2 . . . . 103 GLN HG3 . 17257 1 1000 . 1 1 84 84 GLN C C 13 177.995 0.020 . 1 . . . . 103 GLN C . 17257 1 1001 . 1 1 84 84 GLN CA C 13 58.568 0.019 . 1 . . . . 103 GLN CA . 17257 1 1002 . 1 1 84 84 GLN CB C 13 27.843 0.014 . 1 . . . . 103 GLN CB . 17257 1 1003 . 1 1 84 84 GLN CD C 13 180.028 0.009 . 1 . . . . 103 GLN CD . 17257 1 1004 . 1 1 84 84 GLN CG C 13 33.043 0.009 . 1 . . . . 103 GLN CG . 17257 1 1005 . 1 1 84 84 GLN N N 15 121.653 0.019 . 1 . . . . 103 GLN N . 17257 1 1006 . 1 1 84 84 GLN NE2 N 15 112.946 0.009 . 1 . . . . 103 GLN NE2 . 17257 1 1007 . 1 1 85 85 ALA H H 1 8.221 0.003 . 1 . . . . 104 ALA H . 17257 1 1008 . 1 1 85 85 ALA HA H 1 3.850 0.000 . 1 . . . . 104 ALA HA . 17257 1 1009 . 1 1 85 85 ALA HB1 H 1 1.089 0.003 . 1 . . . . 104 ALA MB . 17257 1 1010 . 1 1 85 85 ALA HB2 H 1 1.089 0.003 . 1 . . . . 104 ALA MB . 17257 1 1011 . 1 1 85 85 ALA HB3 H 1 1.089 0.003 . 1 . . . . 104 ALA MB . 17257 1 1012 . 1 1 85 85 ALA C C 13 179.195 0.009 . 1 . . . . 104 ALA C . 17257 1 1013 . 1 1 85 85 ALA CA C 13 55.568 0.013 . 1 . . . . 104 ALA CA . 17257 1 1014 . 1 1 85 85 ALA CB C 13 17.997 0.015 . 1 . . . . 104 ALA CB . 17257 1 1015 . 1 1 85 85 ALA N N 15 122.494 0.014 . 1 . . . . 104 ALA N . 17257 1 1016 . 1 1 86 86 ALA H H 1 8.384 0.004 . 1 . . . . 105 ALA H . 17257 1 1017 . 1 1 86 86 ALA HA H 1 3.907 0.001 . 1 . . . . 105 ALA HA . 17257 1 1018 . 1 1 86 86 ALA HB1 H 1 1.387 0.001 . 1 . . . . 105 ALA MB . 17257 1 1019 . 1 1 86 86 ALA HB2 H 1 1.387 0.001 . 1 . . . . 105 ALA MB . 17257 1 1020 . 1 1 86 86 ALA HB3 H 1 1.387 0.001 . 1 . . . . 105 ALA MB . 17257 1 1021 . 1 1 86 86 ALA C C 13 180.067 0.008 . 1 . . . . 105 ALA C . 17257 1 1022 . 1 1 86 86 ALA CA C 13 55.908 0.034 . 1 . . . . 105 ALA CA . 17257 1 1023 . 1 1 86 86 ALA CB C 13 17.711 0.025 . 1 . . . . 105 ALA CB . 17257 1 1024 . 1 1 86 86 ALA N N 15 118.779 0.040 . 1 . . . . 105 ALA N . 17257 1 1025 . 1 1 87 87 THR H H 1 8.189 0.001 . 1 . . . . 106 THR H . 17257 1 1026 . 1 1 87 87 THR HA H 1 4.067 0.001 . 1 . . . . 106 THR HA . 17257 1 1027 . 1 1 87 87 THR HB H 1 4.415 0.003 . 1 . . . . 106 THR HB . 17257 1 1028 . 1 1 87 87 THR HG21 H 1 1.347 0.001 . 1 . . . . 106 THR MG . 17257 1 1029 . 1 1 87 87 THR HG22 H 1 1.347 0.001 . 1 . . . . 106 THR MG . 17257 1 1030 . 1 1 87 87 THR HG23 H 1 1.347 0.001 . 1 . . . . 106 THR MG . 17257 1 1031 . 1 1 87 87 THR C C 13 177.424 0.000 . 1 . . . . 106 THR C . 17257 1 1032 . 1 1 87 87 THR CA C 13 66.983 0.058 . 1 . . . . 106 THR CA . 17257 1 1033 . 1 1 87 87 THR CB C 13 68.886 0.058 . 1 . . . . 106 THR CB . 17257 1 1034 . 1 1 87 87 THR CG2 C 13 21.605 0.001 . 1 . . . . 106 THR CG2 . 17257 1 1035 . 1 1 87 87 THR N N 15 117.751 0.004 . 1 . . . . 106 THR N . 17257 1 1036 . 1 1 88 88 GLU H H 1 8.620 0.004 . 1 . . . . 107 GLU H . 17257 1 1037 . 1 1 88 88 GLU HA H 1 4.166 0.005 . 1 . . . . 107 GLU HA . 17257 1 1038 . 1 1 88 88 GLU HB2 H 1 2.054 0.003 . 2 . . . . 107 GLU HB2 . 17257 1 1039 . 1 1 88 88 GLU HB3 H 1 2.203 0.006 . 2 . . . . 107 GLU HB3 . 17257 1 1040 . 1 1 88 88 GLU HG2 H 1 2.356 0.004 . 2 . . . . 107 GLU HG2 . 17257 1 1041 . 1 1 88 88 GLU HG3 H 1 2.705 0.003 . 2 . . . . 107 GLU HG3 . 17257 1 1042 . 1 1 88 88 GLU C C 13 179.645 0.000 . 1 . . . . 107 GLU C . 17257 1 1043 . 1 1 88 88 GLU CA C 13 59.906 0.029 . 1 . . . . 107 GLU CA . 17257 1 1044 . 1 1 88 88 GLU CB C 13 29.237 0.026 . 1 . . . . 107 GLU CB . 17257 1 1045 . 1 1 88 88 GLU CG C 13 36.171 0.036 . 1 . . . . 107 GLU CG . 17257 1 1046 . 1 1 88 88 GLU N N 15 122.837 0.007 . 1 . . . . 107 GLU N . 17257 1 1047 . 1 1 89 89 LEU H H 1 8.882 0.005 . 1 . . . . 108 LEU H . 17257 1 1048 . 1 1 89 89 LEU HA H 1 4.165 0.004 . 1 . . . . 108 LEU HA . 17257 1 1049 . 1 1 89 89 LEU HB2 H 1 1.641 0.008 . 2 . . . . 108 LEU HB2 . 17257 1 1050 . 1 1 89 89 LEU HB3 H 1 2.022 0.006 . 2 . . . . 108 LEU HB3 . 17257 1 1051 . 1 1 89 89 LEU HD11 H 1 0.874 0.003 . 2 . . . . 108 LEU MD1 . 17257 1 1052 . 1 1 89 89 LEU HD12 H 1 0.874 0.003 . 2 . . . . 108 LEU MD1 . 17257 1 1053 . 1 1 89 89 LEU HD13 H 1 0.874 0.003 . 2 . . . . 108 LEU MD1 . 17257 1 1054 . 1 1 89 89 LEU HD21 H 1 0.965 0.002 . 2 . . . . 108 LEU MD2 . 17257 1 1055 . 1 1 89 89 LEU HD22 H 1 0.965 0.002 . 2 . . . . 108 LEU MD2 . 17257 1 1056 . 1 1 89 89 LEU HD23 H 1 0.965 0.002 . 2 . . . . 108 LEU MD2 . 17257 1 1057 . 1 1 89 89 LEU HG H 1 1.905 0.006 . 1 . . . . 108 LEU HG . 17257 1 1058 . 1 1 89 89 LEU C C 13 179.021 0.025 . 1 . . . . 108 LEU C . 17257 1 1059 . 1 1 89 89 LEU CA C 13 57.897 0.006 . 1 . . . . 108 LEU CA . 17257 1 1060 . 1 1 89 89 LEU CB C 13 43.347 0.033 . 1 . . . . 108 LEU CB . 17257 1 1061 . 1 1 89 89 LEU CD1 C 13 25.982 0.025 . 2 . . . . 108 LEU CD1 . 17257 1 1062 . 1 1 89 89 LEU CD2 C 13 26.670 0.022 . 2 . . . . 108 LEU CD2 . 17257 1 1063 . 1 1 89 89 LEU CG C 13 26.726 0.035 . 1 . . . . 108 LEU CG . 17257 1 1064 . 1 1 89 89 LEU N N 15 120.576 0.010 . 1 . . . . 108 LEU N . 17257 1 1065 . 1 1 90 90 SER H H 1 8.385 0.009 . 1 . . . . 109 SER H . 17257 1 1066 . 1 1 90 90 SER HA H 1 4.157 0.003 . 1 . . . . 109 SER HA . 17257 1 1067 . 1 1 90 90 SER HB2 H 1 4.393 0.004 . 2 . . . . 109 SER HB2 . 17257 1 1068 . 1 1 90 90 SER HB3 H 1 4.393 0.004 . 2 . . . . 109 SER HB3 . 17257 1 1069 . 1 1 90 90 SER C C 13 175.425 0.000 . 1 . . . . 109 SER C . 17257 1 1070 . 1 1 90 90 SER CA C 13 63.180 0.088 . 1 . . . . 109 SER CA . 17257 1 1071 . 1 1 90 90 SER CB C 13 63.214 0.000 . 1 . . . . 109 SER CB . 17257 1 1072 . 1 1 90 90 SER N N 15 114.953 0.009 . 1 . . . . 109 SER N . 17257 1 1073 . 1 1 91 91 ALA H H 1 7.687 0.001 . 1 . . . . 110 ALA H . 17257 1 1074 . 1 1 91 91 ALA HA H 1 4.301 0.004 . 1 . . . . 110 ALA HA . 17257 1 1075 . 1 1 91 91 ALA HB1 H 1 1.591 0.001 . 1 . . . . 110 ALA MB . 17257 1 1076 . 1 1 91 91 ALA HB2 H 1 1.591 0.001 . 1 . . . . 110 ALA MB . 17257 1 1077 . 1 1 91 91 ALA HB3 H 1 1.591 0.001 . 1 . . . . 110 ALA MB . 17257 1 1078 . 1 1 91 91 ALA C C 13 180.788 0.006 . 1 . . . . 110 ALA C . 17257 1 1079 . 1 1 91 91 ALA CA C 13 54.970 0.037 . 1 . . . . 110 ALA CA . 17257 1 1080 . 1 1 91 91 ALA CB C 13 17.992 0.023 . 1 . . . . 110 ALA CB . 17257 1 1081 . 1 1 91 91 ALA N N 15 122.616 0.012 . 1 . . . . 110 ALA N . 17257 1 1082 . 1 1 92 92 VAL H H 1 7.877 0.002 . 1 . . . . 111 VAL H . 17257 1 1083 . 1 1 92 92 VAL HA H 1 3.755 0.002 . 1 . . . . 111 VAL HA . 17257 1 1084 . 1 1 92 92 VAL HB H 1 2.234 0.003 . 1 . . . . 111 VAL HB . 17257 1 1085 . 1 1 92 92 VAL HG11 H 1 0.571 0.002 . 2 . . . . 111 VAL MG1 . 17257 1 1086 . 1 1 92 92 VAL HG12 H 1 0.571 0.002 . 2 . . . . 111 VAL MG1 . 17257 1 1087 . 1 1 92 92 VAL HG13 H 1 0.571 0.002 . 2 . . . . 111 VAL MG1 . 17257 1 1088 . 1 1 92 92 VAL HG21 H 1 1.052 0.004 . 2 . . . . 111 VAL MG2 . 17257 1 1089 . 1 1 92 92 VAL HG22 H 1 1.052 0.004 . 2 . . . . 111 VAL MG2 . 17257 1 1090 . 1 1 92 92 VAL HG23 H 1 1.052 0.004 . 2 . . . . 111 VAL MG2 . 17257 1 1091 . 1 1 92 92 VAL C C 13 177.575 0.009 . 1 . . . . 111 VAL C . 17257 1 1092 . 1 1 92 92 VAL CA C 13 65.414 0.023 . 1 . . . . 111 VAL CA . 17257 1 1093 . 1 1 92 92 VAL CB C 13 31.710 0.026 . 1 . . . . 111 VAL CB . 17257 1 1094 . 1 1 92 92 VAL CG1 C 13 22.588 0.003 . 2 . . . . 111 VAL CG1 . 17257 1 1095 . 1 1 92 92 VAL CG2 C 13 22.764 0.003 . 2 . . . . 111 VAL CG2 . 17257 1 1096 . 1 1 92 92 VAL N N 15 116.753 0.015 . 1 . . . . 111 VAL N . 17257 1 1097 . 1 1 93 93 TYR H H 1 7.851 0.004 . 1 . . . . 112 TYR H . 17257 1 1098 . 1 1 93 93 TYR HA H 1 4.511 0.005 . 1 . . . . 112 TYR HA . 17257 1 1099 . 1 1 93 93 TYR HB2 H 1 2.391 0.008 . 2 . . . . 112 TYR HB2 . 17257 1 1100 . 1 1 93 93 TYR HB3 H 1 3.265 0.010 . 2 . . . . 112 TYR HB3 . 17257 1 1101 . 1 1 93 93 TYR HD1 H 1 6.971 0.006 . 3 . . . . 112 TYR HD1 . 17257 1 1102 . 1 1 93 93 TYR HD2 H 1 6.971 0.006 . 3 . . . . 112 TYR HD2 . 17257 1 1103 . 1 1 93 93 TYR HE1 H 1 6.635 0.006 . 3 . . . . 112 TYR HE1 . 17257 1 1104 . 1 1 93 93 TYR HE2 H 1 6.635 0.006 . 3 . . . . 112 TYR HE2 . 17257 1 1105 . 1 1 93 93 TYR C C 13 176.321 0.000 . 1 . . . . 112 TYR C . 17257 1 1106 . 1 1 93 93 TYR CA C 13 60.077 0.014 . 1 . . . . 112 TYR CA . 17257 1 1107 . 1 1 93 93 TYR CB C 13 37.747 0.032 . 1 . . . . 112 TYR CB . 17257 1 1108 . 1 1 93 93 TYR CD1 C 13 132.615 0.001 . 3 . . . . 112 TYR CD1 . 17257 1 1109 . 1 1 93 93 TYR CD2 C 13 132.615 0.001 . 3 . . . . 112 TYR CD2 . 17257 1 1110 . 1 1 93 93 TYR CE1 C 13 117.823 0.050 . 3 . . . . 112 TYR CE1 . 17257 1 1111 . 1 1 93 93 TYR CE2 C 13 117.823 0.050 . 3 . . . . 112 TYR CE2 . 17257 1 1112 . 1 1 93 93 TYR N N 15 115.395 0.028 . 1 . . . . 112 TYR N . 17257 1 1113 . 1 1 94 94 ALA H H 1 7.427 0.001 . 1 . . . . 113 ALA H . 17257 1 1114 . 1 1 94 94 ALA HA H 1 4.237 0.000 . 1 . . . . 113 ALA HA . 17257 1 1115 . 1 1 94 94 ALA HB1 H 1 1.594 0.000 . 1 . . . . 113 ALA MB . 17257 1 1116 . 1 1 94 94 ALA HB2 H 1 1.594 0.000 . 1 . . . . 113 ALA MB . 17257 1 1117 . 1 1 94 94 ALA HB3 H 1 1.594 0.000 . 1 . . . . 113 ALA MB . 17257 1 1118 . 1 1 94 94 ALA C C 13 181.854 0.006 . 1 . . . . 113 ALA C . 17257 1 1119 . 1 1 94 94 ALA CA C 13 56.342 0.042 . 1 . . . . 113 ALA CA . 17257 1 1120 . 1 1 94 94 ALA CB C 13 18.349 0.004 . 1 . . . . 113 ALA CB . 17257 1 1121 . 1 1 94 94 ALA N N 15 126.100 0.004 . 1 . . . . 113 ALA N . 17257 1 1122 . 1 1 95 95 ALA H H 1 8.576 0.001 . 1 . . . . 114 ALA H . 17257 1 1123 . 1 1 95 95 ALA HA H 1 4.200 0.002 . 1 . . . . 114 ALA HA . 17257 1 1124 . 1 1 95 95 ALA HB1 H 1 1.447 0.000 . 1 . . . . 114 ALA MB . 17257 1 1125 . 1 1 95 95 ALA HB2 H 1 1.447 0.000 . 1 . . . . 114 ALA MB . 17257 1 1126 . 1 1 95 95 ALA HB3 H 1 1.447 0.000 . 1 . . . . 114 ALA MB . 17257 1 1127 . 1 1 95 95 ALA C C 13 178.375 0.027 . 1 . . . . 114 ALA C . 17257 1 1128 . 1 1 95 95 ALA CA C 13 54.393 0.030 . 1 . . . . 114 ALA CA . 17257 1 1129 . 1 1 95 95 ALA CB C 13 18.046 0.013 . 1 . . . . 114 ALA CB . 17257 1 1130 . 1 1 95 95 ALA N N 15 119.612 0.005 . 1 . . . . 114 ALA N . 17257 1 1131 . 1 1 96 96 GLN H H 1 7.578 0.003 . 1 . . . . 115 GLN H . 17257 1 1132 . 1 1 96 96 GLN HA H 1 4.427 0.007 . 1 . . . . 115 GLN HA . 17257 1 1133 . 1 1 96 96 GLN HB2 H 1 1.988 0.000 . 2 . . . . 115 GLN HB2 . 17257 1 1134 . 1 1 96 96 GLN HB3 H 1 1.988 0.000 . 2 . . . . 115 GLN HB3 . 17257 1 1135 . 1 1 96 96 GLN HE21 H 1 6.700 0.005 . 2 . . . . 115 GLN HE21 . 17257 1 1136 . 1 1 96 96 GLN HE22 H 1 7.508 0.005 . 2 . . . . 115 GLN HE22 . 17257 1 1137 . 1 1 96 96 GLN HG2 H 1 2.267 0.000 . 2 . . . . 115 GLN HG2 . 17257 1 1138 . 1 1 96 96 GLN HG3 H 1 2.389 0.004 . 2 . . . . 115 GLN HG3 . 17257 1 1139 . 1 1 96 96 GLN C C 13 176.023 0.000 . 1 . . . . 115 GLN C . 17257 1 1140 . 1 1 96 96 GLN CA C 13 55.943 0.020 . 1 . . . . 115 GLN CA . 17257 1 1141 . 1 1 96 96 GLN CB C 13 29.662 0.042 . 1 . . . . 115 GLN CB . 17257 1 1142 . 1 1 96 96 GLN CD C 13 179.328 0.000 . 1 . . . . 115 GLN CD . 17257 1 1143 . 1 1 96 96 GLN CG C 13 35.466 0.024 . 1 . . . . 115 GLN CG . 17257 1 1144 . 1 1 96 96 GLN N N 15 114.799 0.013 . 1 . . . . 115 GLN N . 17257 1 1145 . 1 1 96 96 GLN NE2 N 15 110.504 0.007 . 1 . . . . 115 GLN NE2 . 17257 1 1146 . 1 1 97 97 GLY H H 1 8.109 0.004 . 1 . . . . 116 GLY H . 17257 1 1147 . 1 1 97 97 GLY HA2 H 1 3.740 0.003 . 2 . . . . 116 GLY HA2 . 17257 1 1148 . 1 1 97 97 GLY HA3 H 1 4.082 0.002 . 2 . . . . 116 GLY HA3 . 17257 1 1149 . 1 1 97 97 GLY C C 13 174.218 0.008 . 1 . . . . 116 GLY C . 17257 1 1150 . 1 1 97 97 GLY CA C 13 46.997 0.011 . 1 . . . . 116 GLY CA . 17257 1 1151 . 1 1 97 97 GLY N N 15 107.663 0.006 . 1 . . . . 116 GLY N . 17257 1 1152 . 1 1 98 98 VAL H H 1 6.855 0.002 . 1 . . . . 117 VAL H . 17257 1 1153 . 1 1 98 98 VAL HA H 1 3.915 0.004 . 1 . . . . 117 VAL HA . 17257 1 1154 . 1 1 98 98 VAL HB H 1 1.726 0.004 . 1 . . . . 117 VAL HB . 17257 1 1155 . 1 1 98 98 VAL HG11 H 1 0.319 0.002 . 2 . . . . 117 VAL MG1 . 17257 1 1156 . 1 1 98 98 VAL HG12 H 1 0.319 0.002 . 2 . . . . 117 VAL MG1 . 17257 1 1157 . 1 1 98 98 VAL HG13 H 1 0.319 0.002 . 2 . . . . 117 VAL MG1 . 17257 1 1158 . 1 1 98 98 VAL HG21 H 1 0.381 0.003 . 2 . . . . 117 VAL MG2 . 17257 1 1159 . 1 1 98 98 VAL HG22 H 1 0.381 0.003 . 2 . . . . 117 VAL MG2 . 17257 1 1160 . 1 1 98 98 VAL HG23 H 1 0.381 0.003 . 2 . . . . 117 VAL MG2 . 17257 1 1161 . 1 1 98 98 VAL C C 13 174.052 0.000 . 1 . . . . 117 VAL C . 17257 1 1162 . 1 1 98 98 VAL CA C 13 62.226 0.010 . 1 . . . . 117 VAL CA . 17257 1 1163 . 1 1 98 98 VAL CB C 13 34.045 0.007 . 1 . . . . 117 VAL CB . 17257 1 1164 . 1 1 98 98 VAL CG1 C 13 20.594 0.003 . 2 . . . . 117 VAL CG1 . 17257 1 1165 . 1 1 98 98 VAL CG2 C 13 20.901 0.008 . 2 . . . . 117 VAL CG2 . 17257 1 1166 . 1 1 98 98 VAL N N 15 120.394 0.020 . 1 . . . . 117 VAL N . 17257 1 1167 . 1 1 99 99 SER H H 1 8.553 0.001 . 1 . . . . 118 SER H . 17257 1 1168 . 1 1 99 99 SER HA H 1 4.610 0.000 . 1 . . . . 118 SER HA . 17257 1 1169 . 1 1 99 99 SER HB2 H 1 3.635 0.000 . 2 . . . . 118 SER HB2 . 17257 1 1170 . 1 1 99 99 SER HB3 H 1 3.635 0.000 . 2 . . . . 118 SER HB3 . 17257 1 1171 . 1 1 99 99 SER C C 13 173.144 0.000 . 1 . . . . 118 SER C . 17257 1 1172 . 1 1 99 99 SER CA C 13 56.413 0.037 . 1 . . . . 118 SER CA . 17257 1 1173 . 1 1 99 99 SER CB C 13 64.682 0.041 . 1 . . . . 118 SER CB . 17257 1 1174 . 1 1 99 99 SER N N 15 120.137 0.007 . 1 . . . . 118 SER N . 17257 1 1175 . 1 1 100 100 VAL H H 1 8.379 0.002 . 1 . . . . 119 VAL H . 17257 1 1176 . 1 1 100 100 VAL HA H 1 5.013 0.003 . 1 . . . . 119 VAL HA . 17257 1 1177 . 1 1 100 100 VAL HB H 1 2.192 0.003 . 1 . . . . 119 VAL HB . 17257 1 1178 . 1 1 100 100 VAL HG11 H 1 0.776 0.003 . 2 . . . . 119 VAL MG1 . 17257 1 1179 . 1 1 100 100 VAL HG12 H 1 0.776 0.003 . 2 . . . . 119 VAL MG1 . 17257 1 1180 . 1 1 100 100 VAL HG13 H 1 0.776 0.003 . 2 . . . . 119 VAL MG1 . 17257 1 1181 . 1 1 100 100 VAL HG21 H 1 0.893 0.003 . 2 . . . . 119 VAL MG2 . 17257 1 1182 . 1 1 100 100 VAL HG22 H 1 0.893 0.003 . 2 . . . . 119 VAL MG2 . 17257 1 1183 . 1 1 100 100 VAL HG23 H 1 0.893 0.003 . 2 . . . . 119 VAL MG2 . 17257 1 1184 . 1 1 100 100 VAL C C 13 174.108 0.000 . 1 . . . . 119 VAL C . 17257 1 1185 . 1 1 100 100 VAL CA C 13 60.849 0.012 . 1 . . . . 119 VAL CA . 17257 1 1186 . 1 1 100 100 VAL CB C 13 32.641 0.027 . 1 . . . . 119 VAL CB . 17257 1 1187 . 1 1 100 100 VAL CG1 C 13 20.765 0.020 . 2 . . . . 119 VAL CG1 . 17257 1 1188 . 1 1 100 100 VAL CG2 C 13 21.277 0.003 . 2 . . . . 119 VAL CG2 . 17257 1 1189 . 1 1 100 100 VAL N N 15 127.591 0.011 . 1 . . . . 119 VAL N . 17257 1 1190 . 1 1 101 101 SER H H 1 9.260 0.008 . 1 . . . . 120 SER H . 17257 1 1191 . 1 1 101 101 SER HA H 1 4.709 0.001 . 1 . . . . 120 SER HA . 17257 1 1192 . 1 1 101 101 SER HB2 H 1 3.724 0.003 . 2 . . . . 120 SER HB2 . 17257 1 1193 . 1 1 101 101 SER HB3 H 1 3.819 0.001 . 2 . . . . 120 SER HB3 . 17257 1 1194 . 1 1 101 101 SER C C 13 171.550 0.007 . 1 . . . . 120 SER C . 17257 1 1195 . 1 1 101 101 SER CA C 13 56.933 0.024 . 1 . . . . 120 SER CA . 17257 1 1196 . 1 1 101 101 SER CB C 13 65.988 0.039 . 1 . . . . 120 SER CB . 17257 1 1197 . 1 1 101 101 SER N N 15 120.886 0.018 . 1 . . . . 120 SER N . 17257 1 1198 . 1 1 102 102 VAL H H 1 8.542 0.002 . 1 . . . . 121 VAL H . 17257 1 1199 . 1 1 102 102 VAL HA H 1 4.959 0.002 . 1 . . . . 121 VAL HA . 17257 1 1200 . 1 1 102 102 VAL HB H 1 1.884 0.003 . 1 . . . . 121 VAL HB . 17257 1 1201 . 1 1 102 102 VAL HG11 H 1 0.761 0.002 . 2 . . . . 121 VAL MG1 . 17257 1 1202 . 1 1 102 102 VAL HG12 H 1 0.761 0.002 . 2 . . . . 121 VAL MG1 . 17257 1 1203 . 1 1 102 102 VAL HG13 H 1 0.761 0.002 . 2 . . . . 121 VAL MG1 . 17257 1 1204 . 1 1 102 102 VAL HG21 H 1 0.843 0.003 . 2 . . . . 121 VAL MG2 . 17257 1 1205 . 1 1 102 102 VAL HG22 H 1 0.843 0.003 . 2 . . . . 121 VAL MG2 . 17257 1 1206 . 1 1 102 102 VAL HG23 H 1 0.843 0.003 . 2 . . . . 121 VAL MG2 . 17257 1 1207 . 1 1 102 102 VAL C C 13 176.024 0.003 . 1 . . . . 121 VAL C . 17257 1 1208 . 1 1 102 102 VAL CA C 13 60.677 0.005 . 1 . . . . 121 VAL CA . 17257 1 1209 . 1 1 102 102 VAL CB C 13 34.066 0.031 . 1 . . . . 121 VAL CB . 17257 1 1210 . 1 1 102 102 VAL CG1 C 13 22.135 0.001 . 2 . . . . 121 VAL CG1 . 17257 1 1211 . 1 1 102 102 VAL CG2 C 13 21.397 0.039 . 2 . . . . 121 VAL CG2 . 17257 1 1212 . 1 1 102 102 VAL N N 15 119.308 0.025 . 1 . . . . 121 VAL N . 17257 1 1213 . 1 1 103 103 SER H H 1 8.622 0.004 . 1 . . . . 122 SER H . 17257 1 1214 . 1 1 103 103 SER HA H 1 4.580 0.003 . 1 . . . . 122 SER HA . 17257 1 1215 . 1 1 103 103 SER HB2 H 1 3.645 0.001 . 2 . . . . 122 SER HB2 . 17257 1 1216 . 1 1 103 103 SER HB3 H 1 3.645 0.001 . 2 . . . . 122 SER HB3 . 17257 1 1217 . 1 1 103 103 SER C C 13 174.196 0.000 . 1 . . . . 122 SER C . 17257 1 1218 . 1 1 103 103 SER CA C 13 56.716 0.045 . 1 . . . . 122 SER CA . 17257 1 1219 . 1 1 103 103 SER CB C 13 64.169 0.040 . 1 . . . . 122 SER CB . 17257 1 1220 . 1 1 103 103 SER N N 15 121.869 0.029 . 1 . . . . 122 SER N . 17257 1 1221 . 1 1 104 104 ALA H H 1 9.115 0.004 . 1 . . . . 123 ALA H . 17257 1 1222 . 1 1 104 104 ALA HA H 1 3.919 0.002 . 1 . . . . 123 ALA HA . 17257 1 1223 . 1 1 104 104 ALA HB1 H 1 1.511 0.002 . 1 . . . . 123 ALA MB . 17257 1 1224 . 1 1 104 104 ALA HB2 H 1 1.511 0.002 . 1 . . . . 123 ALA MB . 17257 1 1225 . 1 1 104 104 ALA HB3 H 1 1.511 0.002 . 1 . . . . 123 ALA MB . 17257 1 1226 . 1 1 104 104 ALA C C 13 175.569 0.014 . 1 . . . . 123 ALA C . 17257 1 1227 . 1 1 104 104 ALA CA C 13 54.378 0.031 . 1 . . . . 123 ALA CA . 17257 1 1228 . 1 1 104 104 ALA CB C 13 17.007 0.017 . 1 . . . . 123 ALA CB . 17257 1 1229 . 1 1 104 104 ALA N N 15 130.426 0.035 . 1 . . . . 123 ALA N . 17257 1 1230 . 1 1 105 105 ASN H H 1 8.429 0.004 . 1 . . . . 124 ASN H . 17257 1 1231 . 1 1 105 105 ASN HA H 1 4.726 0.004 . 1 . . . . 124 ASN HA . 17257 1 1232 . 1 1 105 105 ASN HB2 H 1 2.980 0.002 . 2 . . . . 124 ASN HB2 . 17257 1 1233 . 1 1 105 105 ASN HB3 H 1 2.980 0.002 . 2 . . . . 124 ASN HB3 . 17257 1 1234 . 1 1 105 105 ASN HD21 H 1 6.964 0.005 . 2 . . . . 124 ASN HD21 . 17257 1 1235 . 1 1 105 105 ASN HD22 H 1 7.644 0.004 . 2 . . . . 124 ASN HD22 . 17257 1 1236 . 1 1 105 105 ASN C C 13 173.568 0.000 . 1 . . . . 124 ASN C . 17257 1 1237 . 1 1 105 105 ASN CA C 13 53.532 0.043 . 1 . . . . 124 ASN CA . 17257 1 1238 . 1 1 105 105 ASN CB C 13 38.544 0.015 . 1 . . . . 124 ASN CB . 17257 1 1239 . 1 1 105 105 ASN CG C 13 178.611 0.009 . 1 . . . . 124 ASN CG . 17257 1 1240 . 1 1 105 105 ASN N N 15 117.280 0.028 . 1 . . . . 124 ASN N . 17257 1 1241 . 1 1 105 105 ASN ND2 N 15 112.307 0.006 . 1 . . . . 124 ASN ND2 . 17257 1 1242 . 1 1 106 106 LYS H H 1 8.229 0.002 . 1 . . . . 125 LYS H . 17257 1 1243 . 1 1 106 106 LYS HA H 1 5.097 0.003 . 1 . . . . 125 LYS HA . 17257 1 1244 . 1 1 106 106 LYS HB2 H 1 1.678 0.003 . 2 . . . . 125 LYS HB2 . 17257 1 1245 . 1 1 106 106 LYS HB3 H 1 1.870 0.003 . 2 . . . . 125 LYS HB3 . 17257 1 1246 . 1 1 106 106 LYS HD2 H 1 1.642 0.004 . 2 . . . . 125 LYS HD2 . 17257 1 1247 . 1 1 106 106 LYS HD3 H 1 1.642 0.004 . 2 . . . . 125 LYS HD3 . 17257 1 1248 . 1 1 106 106 LYS HE2 H 1 2.956 0.002 . 2 . . . . 125 LYS HE2 . 17257 1 1249 . 1 1 106 106 LYS HE3 H 1 2.956 0.002 . 2 . . . . 125 LYS HE3 . 17257 1 1250 . 1 1 106 106 LYS HG2 H 1 1.295 0.003 . 2 . . . . 125 LYS HG2 . 17257 1 1251 . 1 1 106 106 LYS HG3 H 1 1.432 0.002 . 2 . . . . 125 LYS HG3 . 17257 1 1252 . 1 1 106 106 LYS C C 13 175.007 0.015 . 1 . . . . 125 LYS C . 17257 1 1253 . 1 1 106 106 LYS CA C 13 55.179 0.017 . 1 . . . . 125 LYS CA . 17257 1 1254 . 1 1 106 106 LYS CB C 13 34.967 0.021 . 1 . . . . 125 LYS CB . 17257 1 1255 . 1 1 106 106 LYS CD C 13 29.536 0.012 . 1 . . . . 125 LYS CD . 17257 1 1256 . 1 1 106 106 LYS CE C 13 41.882 0.002 . 1 . . . . 125 LYS CE . 17257 1 1257 . 1 1 106 106 LYS CG C 13 24.976 0.021 . 1 . . . . 125 LYS CG . 17257 1 1258 . 1 1 106 106 LYS N N 15 119.131 0.010 . 1 . . . . 125 LYS N . 17257 1 1259 . 1 1 107 107 LEU H H 1 8.593 0.001 . 1 . . . . 126 LEU H . 17257 1 1260 . 1 1 107 107 LEU HA H 1 4.783 0.003 . 1 . . . . 126 LEU HA . 17257 1 1261 . 1 1 107 107 LEU HB2 H 1 1.449 0.003 . 2 . . . . 126 LEU HB2 . 17257 1 1262 . 1 1 107 107 LEU HB3 H 1 1.566 0.003 . 2 . . . . 126 LEU HB3 . 17257 1 1263 . 1 1 107 107 LEU HD11 H 1 0.848 0.002 . 2 . . . . 126 LEU MD1 . 17257 1 1264 . 1 1 107 107 LEU HD12 H 1 0.848 0.002 . 2 . . . . 126 LEU MD1 . 17257 1 1265 . 1 1 107 107 LEU HD13 H 1 0.848 0.002 . 2 . . . . 126 LEU MD1 . 17257 1 1266 . 1 1 107 107 LEU HD21 H 1 0.919 0.002 . 2 . . . . 126 LEU MD2 . 17257 1 1267 . 1 1 107 107 LEU HD22 H 1 0.919 0.002 . 2 . . . . 126 LEU MD2 . 17257 1 1268 . 1 1 107 107 LEU HD23 H 1 0.919 0.002 . 2 . . . . 126 LEU MD2 . 17257 1 1269 . 1 1 107 107 LEU HG H 1 1.560 0.003 . 1 . . . . 126 LEU HG . 17257 1 1270 . 1 1 107 107 LEU C C 13 174.165 0.009 . 1 . . . . 126 LEU C . 17257 1 1271 . 1 1 107 107 LEU CA C 13 54.215 0.019 . 1 . . . . 126 LEU CA . 17257 1 1272 . 1 1 107 107 LEU CB C 13 44.596 0.013 . 1 . . . . 126 LEU CB . 17257 1 1273 . 1 1 107 107 LEU CD1 C 13 25.281 0.001 . 2 . . . . 126 LEU CD1 . 17257 1 1274 . 1 1 107 107 LEU CD2 C 13 25.488 0.002 . 2 . . . . 126 LEU CD2 . 17257 1 1275 . 1 1 107 107 LEU CG C 13 27.788 0.004 . 1 . . . . 126 LEU CG . 17257 1 1276 . 1 1 107 107 LEU N N 15 124.905 0.008 . 1 . . . . 126 LEU N . 17257 1 1277 . 1 1 108 108 LEU H H 1 9.176 0.001 . 1 . . . . 127 LEU H . 17257 1 1278 . 1 1 108 108 LEU HA H 1 4.951 0.002 . 1 . . . . 127 LEU HA . 17257 1 1279 . 1 1 108 108 LEU HB2 H 1 1.454 0.002 . 2 . . . . 127 LEU HB2 . 17257 1 1280 . 1 1 108 108 LEU HB3 H 1 1.519 0.002 . 2 . . . . 127 LEU HB3 . 17257 1 1281 . 1 1 108 108 LEU HD11 H 1 0.798 0.001 . 2 . . . . 127 LEU MD1 . 17257 1 1282 . 1 1 108 108 LEU HD12 H 1 0.798 0.001 . 2 . . . . 127 LEU MD1 . 17257 1 1283 . 1 1 108 108 LEU HD13 H 1 0.798 0.001 . 2 . . . . 127 LEU MD1 . 17257 1 1284 . 1 1 108 108 LEU HD21 H 1 0.824 0.001 . 2 . . . . 127 LEU MD2 . 17257 1 1285 . 1 1 108 108 LEU HD22 H 1 0.824 0.001 . 2 . . . . 127 LEU MD2 . 17257 1 1286 . 1 1 108 108 LEU HD23 H 1 0.824 0.001 . 2 . . . . 127 LEU MD2 . 17257 1 1287 . 1 1 108 108 LEU HG H 1 1.363 0.002 . 1 . . . . 127 LEU HG . 17257 1 1288 . 1 1 108 108 LEU C C 13 175.698 0.004 . 1 . . . . 127 LEU C . 17257 1 1289 . 1 1 108 108 LEU CA C 13 54.380 0.046 . 1 . . . . 127 LEU CA . 17257 1 1290 . 1 1 108 108 LEU CB C 13 44.339 0.046 . 1 . . . . 127 LEU CB . 17257 1 1291 . 1 1 108 108 LEU CD1 C 13 25.452 0.041 . 2 . . . . 127 LEU CD1 . 17257 1 1292 . 1 1 108 108 LEU CD2 C 13 25.025 0.007 . 2 . . . . 127 LEU CD2 . 17257 1 1293 . 1 1 108 108 LEU CG C 13 27.686 0.007 . 1 . . . . 127 LEU CG . 17257 1 1294 . 1 1 108 108 LEU N N 15 126.639 0.003 . 1 . . . . 127 LEU N . 17257 1 1295 . 1 1 109 109 VAL H H 1 8.562 0.005 . 1 . . . . 128 VAL H . 17257 1 1296 . 1 1 109 109 VAL HA H 1 5.100 0.003 . 1 . . . . 128 VAL HA . 17257 1 1297 . 1 1 109 109 VAL HB H 1 1.683 0.006 . 1 . . . . 128 VAL HB . 17257 1 1298 . 1 1 109 109 VAL HG11 H 1 0.521 0.002 . 2 . . . . 128 VAL MG1 . 17257 1 1299 . 1 1 109 109 VAL HG12 H 1 0.521 0.002 . 2 . . . . 128 VAL MG1 . 17257 1 1300 . 1 1 109 109 VAL HG13 H 1 0.521 0.002 . 2 . . . . 128 VAL MG1 . 17257 1 1301 . 1 1 109 109 VAL HG21 H 1 0.900 0.001 . 2 . . . . 128 VAL MG2 . 17257 1 1302 . 1 1 109 109 VAL HG22 H 1 0.900 0.001 . 2 . . . . 128 VAL MG2 . 17257 1 1303 . 1 1 109 109 VAL HG23 H 1 0.900 0.001 . 2 . . . . 128 VAL MG2 . 17257 1 1304 . 1 1 109 109 VAL C C 13 175.054 0.011 . 1 . . . . 128 VAL C . 17257 1 1305 . 1 1 109 109 VAL CA C 13 60.662 0.017 . 1 . . . . 128 VAL CA . 17257 1 1306 . 1 1 109 109 VAL CB C 13 32.856 0.031 . 1 . . . . 128 VAL CB . 17257 1 1307 . 1 1 109 109 VAL CG1 C 13 21.816 0.011 . 2 . . . . 128 VAL CG1 . 17257 1 1308 . 1 1 109 109 VAL CG2 C 13 22.341 0.005 . 2 . . . . 128 VAL CG2 . 17257 1 1309 . 1 1 109 109 VAL N N 15 125.287 0.011 . 1 . . . . 128 VAL N . 17257 1 1310 . 1 1 110 110 GLN H H 1 8.875 0.001 . 1 . . . . 129 GLN H . 17257 1 1311 . 1 1 110 110 GLN HA H 1 4.839 0.002 . 1 . . . . 129 GLN HA . 17257 1 1312 . 1 1 110 110 GLN HB2 H 1 1.991 0.006 . 2 . . . . 129 GLN HB2 . 17257 1 1313 . 1 1 110 110 GLN HB3 H 1 1.991 0.006 . 2 . . . . 129 GLN HB3 . 17257 1 1314 . 1 1 110 110 GLN HE21 H 1 6.741 0.005 . 2 . . . . 129 GLN HE21 . 17257 1 1315 . 1 1 110 110 GLN HE22 H 1 7.238 0.004 . 2 . . . . 129 GLN HE22 . 17257 1 1316 . 1 1 110 110 GLN HG2 H 1 2.183 0.005 . 2 . . . . 129 GLN HG2 . 17257 1 1317 . 1 1 110 110 GLN HG3 H 1 2.183 0.005 . 2 . . . . 129 GLN HG3 . 17257 1 1318 . 1 1 110 110 GLN C C 13 171.538 0.000 . 1 . . . . 129 GLN C . 17257 1 1319 . 1 1 110 110 GLN CA C 13 52.889 0.000 . 1 . . . . 129 GLN CA . 17257 1 1320 . 1 1 110 110 GLN CB C 13 31.132 0.000 . 1 . . . . 129 GLN CB . 17257 1 1321 . 1 1 110 110 GLN CD C 13 180.029 0.018 . 1 . . . . 129 GLN CD . 17257 1 1322 . 1 1 110 110 GLN CG C 13 32.593 0.000 . 1 . . . . 129 GLN CG . 17257 1 1323 . 1 1 110 110 GLN N N 15 124.733 0.002 . 1 . . . . 129 GLN N . 17257 1 1324 . 1 1 110 110 GLN NE2 N 15 110.534 0.008 . 1 . . . . 129 GLN NE2 . 17257 1 1325 . 1 1 111 111 PRO HA H 1 5.037 0.002 . 1 . . . . 130 PRO HA . 17257 1 1326 . 1 1 111 111 PRO HB2 H 1 1.874 0.002 . 2 . . . . 130 PRO HB2 . 17257 1 1327 . 1 1 111 111 PRO HB3 H 1 2.316 0.002 . 2 . . . . 130 PRO HB3 . 17257 1 1328 . 1 1 111 111 PRO HD2 H 1 3.713 0.001 . 2 . . . . 130 PRO HD2 . 17257 1 1329 . 1 1 111 111 PRO HD3 H 1 3.713 0.001 . 2 . . . . 130 PRO HD3 . 17257 1 1330 . 1 1 111 111 PRO HG2 H 1 2.041 0.003 . 2 . . . . 130 PRO HG2 . 17257 1 1331 . 1 1 111 111 PRO HG3 H 1 2.175 0.003 . 2 . . . . 130 PRO HG3 . 17257 1 1332 . 1 1 111 111 PRO C C 13 177.119 0.015 . 1 . . . . 130 PRO C . 17257 1 1333 . 1 1 111 111 PRO CA C 13 62.063 0.009 . 1 . . . . 130 PRO CA . 17257 1 1334 . 1 1 111 111 PRO CB C 13 31.915 0.000 . 1 . . . . 130 PRO CB . 17257 1 1335 . 1 1 111 111 PRO CD C 13 50.566 0.000 . 1 . . . . 130 PRO CD . 17257 1 1336 . 1 1 111 111 PRO CG C 13 27.320 0.020 . 1 . . . . 130 PRO CG . 17257 1 1337 . 1 1 112 112 VAL H H 1 7.832 0.001 . 1 . . . . 131 VAL H . 17257 1 1338 . 1 1 112 112 VAL HA H 1 4.357 0.001 . 1 . . . . 131 VAL HA . 17257 1 1339 . 1 1 112 112 VAL HB H 1 1.987 0.001 . 1 . . . . 131 VAL HB . 17257 1 1340 . 1 1 112 112 VAL HG11 H 1 0.782 0.001 . 2 . . . . 131 VAL MG1 . 17257 1 1341 . 1 1 112 112 VAL HG12 H 1 0.782 0.001 . 2 . . . . 131 VAL MG1 . 17257 1 1342 . 1 1 112 112 VAL HG13 H 1 0.782 0.001 . 2 . . . . 131 VAL MG1 . 17257 1 1343 . 1 1 112 112 VAL HG21 H 1 0.903 0.001 . 2 . . . . 131 VAL MG2 . 17257 1 1344 . 1 1 112 112 VAL HG22 H 1 0.903 0.001 . 2 . . . . 131 VAL MG2 . 17257 1 1345 . 1 1 112 112 VAL HG23 H 1 0.903 0.001 . 2 . . . . 131 VAL MG2 . 17257 1 1346 . 1 1 112 112 VAL C C 13 173.989 0.000 . 1 . . . . 131 VAL C . 17257 1 1347 . 1 1 112 112 VAL CA C 13 59.556 0.000 . 1 . . . . 131 VAL CA . 17257 1 1348 . 1 1 112 112 VAL CB C 13 33.094 0.000 . 1 . . . . 131 VAL CB . 17257 1 1349 . 1 1 112 112 VAL CG1 C 13 19.922 0.026 . 2 . . . . 131 VAL CG1 . 17257 1 1350 . 1 1 112 112 VAL CG2 C 13 21.453 0.025 . 2 . . . . 131 VAL CG2 . 17257 1 1351 . 1 1 112 112 VAL N N 15 120.165 0.010 . 1 . . . . 131 VAL N . 17257 1 1352 . 1 1 113 113 PRO HA H 1 4.433 0.007 . 1 . . . . 132 PRO HA . 17257 1 1353 . 1 1 113 113 PRO HB2 H 1 1.860 0.002 . 2 . . . . 132 PRO HB2 . 17257 1 1354 . 1 1 113 113 PRO HB3 H 1 2.273 0.001 . 2 . . . . 132 PRO HB3 . 17257 1 1355 . 1 1 113 113 PRO HD2 H 1 3.635 0.007 . 2 . . . . 132 PRO HD2 . 17257 1 1356 . 1 1 113 113 PRO HD3 H 1 3.791 0.004 . 2 . . . . 132 PRO HD3 . 17257 1 1357 . 1 1 113 113 PRO HG2 H 1 1.953 0.004 . 2 . . . . 132 PRO HG2 . 17257 1 1358 . 1 1 113 113 PRO HG3 H 1 2.035 0.002 . 2 . . . . 132 PRO HG3 . 17257 1 1359 . 1 1 113 113 PRO C C 13 176.975 0.043 . 1 . . . . 132 PRO C . 17257 1 1360 . 1 1 113 113 PRO CA C 13 63.040 0.006 . 1 . . . . 132 PRO CA . 17257 1 1361 . 1 1 113 113 PRO CB C 13 32.031 0.008 . 1 . . . . 132 PRO CB . 17257 1 1362 . 1 1 113 113 PRO CD C 13 50.971 0.000 . 1 . . . . 132 PRO CD . 17257 1 1363 . 1 1 113 113 PRO CG C 13 27.526 0.024 . 1 . . . . 132 PRO CG . 17257 1 1364 . 1 1 114 114 VAL H H 1 8.157 0.001 . 1 . . . . 133 VAL H . 17257 1 1365 . 1 1 114 114 VAL HA H 1 4.104 0.001 . 1 . . . . 133 VAL HA . 17257 1 1366 . 1 1 114 114 VAL HB H 1 2.083 0.003 . 1 . . . . 133 VAL HB . 17257 1 1367 . 1 1 114 114 VAL HG11 H 1 0.962 0.001 . 2 . . . . 133 VAL MG1 . 17257 1 1368 . 1 1 114 114 VAL HG12 H 1 0.962 0.001 . 2 . . . . 133 VAL MG1 . 17257 1 1369 . 1 1 114 114 VAL HG13 H 1 0.962 0.001 . 2 . . . . 133 VAL MG1 . 17257 1 1370 . 1 1 114 114 VAL HG21 H 1 0.965 0.001 . 2 . . . . 133 VAL MG2 . 17257 1 1371 . 1 1 114 114 VAL HG22 H 1 0.965 0.001 . 2 . . . . 133 VAL MG2 . 17257 1 1372 . 1 1 114 114 VAL HG23 H 1 0.965 0.001 . 2 . . . . 133 VAL MG2 . 17257 1 1373 . 1 1 114 114 VAL C C 13 176.390 0.008 . 1 . . . . 133 VAL C . 17257 1 1374 . 1 1 114 114 VAL CA C 13 62.366 0.011 . 1 . . . . 133 VAL CA . 17257 1 1375 . 1 1 114 114 VAL CB C 13 32.971 0.027 . 1 . . . . 133 VAL CB . 17257 1 1376 . 1 1 114 114 VAL CG1 C 13 20.490 0.046 . 2 . . . . 133 VAL CG1 . 17257 1 1377 . 1 1 114 114 VAL CG2 C 13 21.273 0.024 . 2 . . . . 133 VAL CG2 . 17257 1 1378 . 1 1 114 114 VAL N N 15 120.506 0.005 . 1 . . . . 133 VAL N . 17257 1 1379 . 1 1 115 115 SER H H 1 8.261 0.003 . 1 . . . . 134 SER H . 17257 1 1380 . 1 1 115 115 SER HA H 1 4.514 0.002 . 1 . . . . 134 SER HA . 17257 1 1381 . 1 1 115 115 SER HB2 H 1 3.867 0.000 . 2 . . . . 134 SER HB2 . 17257 1 1382 . 1 1 115 115 SER HB3 H 1 3.867 0.000 . 2 . . . . 134 SER HB3 . 17257 1 1383 . 1 1 115 115 SER C C 13 174.624 0.000 . 1 . . . . 134 SER C . 17257 1 1384 . 1 1 115 115 SER CA C 13 58.100 0.023 . 1 . . . . 134 SER CA . 17257 1 1385 . 1 1 115 115 SER CB C 13 63.965 0.042 . 1 . . . . 134 SER CB . 17257 1 1386 . 1 1 115 115 SER N N 15 119.252 0.017 . 1 . . . . 134 SER N . 17257 1 1387 . 1 1 116 116 SER H H 1 8.319 0.004 . 1 . . . . 135 SER H . 17257 1 1388 . 1 1 116 116 SER HA H 1 4.483 0.004 . 1 . . . . 135 SER HA . 17257 1 1389 . 1 1 116 116 SER HB2 H 1 3.920 0.001 . 2 . . . . 135 SER HB2 . 17257 1 1390 . 1 1 116 116 SER HB3 H 1 3.920 0.001 . 2 . . . . 135 SER HB3 . 17257 1 1391 . 1 1 116 116 SER C C 13 174.992 0.000 . 1 . . . . 135 SER C . 17257 1 1392 . 1 1 116 116 SER CA C 13 58.570 0.014 . 1 . . . . 135 SER CA . 17257 1 1393 . 1 1 116 116 SER CB C 13 63.926 0.035 . 1 . . . . 135 SER CB . 17257 1 1394 . 1 1 116 116 SER N N 15 117.877 0.007 . 1 . . . . 135 SER N . 17257 1 1395 . 1 1 117 117 GLY H H 1 8.327 0.001 . 1 . . . . 136 GLY H . 17257 1 1396 . 1 1 117 117 GLY HA2 H 1 3.967 0.000 . 2 . . . . 136 GLY HA2 . 17257 1 1397 . 1 1 117 117 GLY HA3 H 1 3.967 0.000 . 2 . . . . 136 GLY HA3 . 17257 1 1398 . 1 1 117 117 GLY C C 13 173.660 0.019 . 1 . . . . 136 GLY C . 17257 1 1399 . 1 1 117 117 GLY CA C 13 45.329 0.013 . 1 . . . . 136 GLY CA . 17257 1 1400 . 1 1 117 117 GLY N N 15 110.668 0.025 . 1 . . . . 136 GLY N . 17257 1 1401 . 1 1 118 118 ALA H H 1 7.987 0.005 . 1 . . . . 137 ALA H . 17257 1 1402 . 1 1 118 118 ALA HA H 1 4.322 0.002 . 1 . . . . 137 ALA HA . 17257 1 1403 . 1 1 118 118 ALA HB1 H 1 1.375 0.002 . 1 . . . . 137 ALA MB . 17257 1 1404 . 1 1 118 118 ALA HB2 H 1 1.375 0.002 . 1 . . . . 137 ALA MB . 17257 1 1405 . 1 1 118 118 ALA HB3 H 1 1.375 0.002 . 1 . . . . 137 ALA MB . 17257 1 1406 . 1 1 118 118 ALA C C 13 177.312 0.011 . 1 . . . . 137 ALA C . 17257 1 1407 . 1 1 118 118 ALA CA C 13 52.395 0.023 . 1 . . . . 137 ALA CA . 17257 1 1408 . 1 1 118 118 ALA CB C 13 19.504 0.024 . 1 . . . . 137 ALA CB . 17257 1 1409 . 1 1 118 118 ALA N N 15 123.591 0.010 . 1 . . . . 137 ALA N . 17257 1 1410 . 1 1 119 119 LYS H H 1 8.165 0.000 . 1 . . . . 138 LYS H . 17257 1 1411 . 1 1 119 119 LYS HA H 1 4.347 0.001 . 1 . . . . 138 LYS HA . 17257 1 1412 . 1 1 119 119 LYS HB2 H 1 1.747 0.006 . 2 . . . . 138 LYS HB2 . 17257 1 1413 . 1 1 119 119 LYS HB3 H 1 1.856 0.003 . 2 . . . . 138 LYS HB3 . 17257 1 1414 . 1 1 119 119 LYS HD2 H 1 1.699 0.003 . 2 . . . . 138 LYS HD2 . 17257 1 1415 . 1 1 119 119 LYS HD3 H 1 1.699 0.003 . 2 . . . . 138 LYS HD3 . 17257 1 1416 . 1 1 119 119 LYS HE2 H 1 3.011 0.003 . 2 . . . . 138 LYS HE2 . 17257 1 1417 . 1 1 119 119 LYS HE3 H 1 3.011 0.003 . 2 . . . . 138 LYS HE3 . 17257 1 1418 . 1 1 119 119 LYS HG2 H 1 1.459 0.003 . 2 . . . . 138 LYS HG2 . 17257 1 1419 . 1 1 119 119 LYS HG3 H 1 1.459 0.003 . 2 . . . . 138 LYS HG3 . 17257 1 1420 . 1 1 119 119 LYS C C 13 175.338 0.005 . 1 . . . . 138 LYS C . 17257 1 1421 . 1 1 119 119 LYS CA C 13 56.125 0.024 . 1 . . . . 138 LYS CA . 17257 1 1422 . 1 1 119 119 LYS CB C 13 32.974 0.018 . 1 . . . . 138 LYS CB . 17257 1 1423 . 1 1 119 119 LYS CD C 13 28.919 0.101 . 1 . . . . 138 LYS CD . 17257 1 1424 . 1 1 119 119 LYS CE C 13 41.956 0.081 . 1 . . . . 138 LYS CE . 17257 1 1425 . 1 1 119 119 LYS CG C 13 24.728 0.149 . 1 . . . . 138 LYS CG . 17257 1 1426 . 1 1 119 119 LYS N N 15 121.335 0.000 . 1 . . . . 138 LYS N . 17257 1 1427 . 1 1 120 120 LEU H H 1 7.815 0.000 . 1 . . . . 139 LEU H . 17257 1 1428 . 1 1 120 120 LEU HA H 1 4.214 0.005 . 1 . . . . 139 LEU HA . 17257 1 1429 . 1 1 120 120 LEU HB2 H 1 1.593 0.004 . 2 . . . . 139 LEU HB2 . 17257 1 1430 . 1 1 120 120 LEU HB3 H 1 1.593 0.004 . 2 . . . . 139 LEU HB3 . 17257 1 1431 . 1 1 120 120 LEU HD11 H 1 0.874 0.002 . 2 . . . . 139 LEU MD1 . 17257 1 1432 . 1 1 120 120 LEU HD12 H 1 0.874 0.002 . 2 . . . . 139 LEU MD1 . 17257 1 1433 . 1 1 120 120 LEU HD13 H 1 0.874 0.002 . 2 . . . . 139 LEU MD1 . 17257 1 1434 . 1 1 120 120 LEU HD21 H 1 0.912 0.005 . 2 . . . . 139 LEU MD2 . 17257 1 1435 . 1 1 120 120 LEU HD22 H 1 0.912 0.005 . 2 . . . . 139 LEU MD2 . 17257 1 1436 . 1 1 120 120 LEU HD23 H 1 0.912 0.005 . 2 . . . . 139 LEU MD2 . 17257 1 1437 . 1 1 120 120 LEU HG H 1 1.595 0.001 . 1 . . . . 139 LEU HG . 17257 1 1438 . 1 1 120 120 LEU C C 13 182.249 0.000 . 1 . . . . 139 LEU C . 17257 1 1439 . 1 1 120 120 LEU CA C 13 56.791 0.000 . 1 . . . . 139 LEU CA . 17257 1 1440 . 1 1 120 120 LEU CB C 13 43.513 0.000 . 1 . . . . 139 LEU CB . 17257 1 1441 . 1 1 120 120 LEU CD1 C 13 23.738 0.029 . 2 . . . . 139 LEU CD1 . 17257 1 1442 . 1 1 120 120 LEU CD2 C 13 25.357 0.085 . 2 . . . . 139 LEU CD2 . 17257 1 1443 . 1 1 120 120 LEU CG C 13 27.258 0.115 . 1 . . . . 139 LEU CG . 17257 1 1444 . 1 1 120 120 LEU N N 15 129.809 0.000 . 1 . . . . 139 LEU N . 17257 1 stop_ save_